mirror of https://github.com/phonopy/phonopy.git
4877 lines
348 KiB
Plaintext
4877 lines
348 KiB
Plaintext
Date: 2018-06-10 14:30:15
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Running on: c839
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Temporary directory: /tmp/anttikar/CRY_10144
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Executable: /proj/anttikar/chem/crystal/c17/bin/v1_0_2/MPPcrystal
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Output: /homeappl/home/anttikar/work/test/nacl/MPP/supercell-001.o
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Input data supercell-001.d12
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Created by Phonopy CRYSTAL interface
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EXTERNAL
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ENDGEOM
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11 5
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0 0 5 2.0 1.0
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4098.2003908 -.58535911879E-02
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616.49374031 -.43647161872E-01
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139.96644001 -.19431465884
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39.073441051 -.48685065731
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11.929847205 -.41881705137
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0 0 3 2.0 1.0
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20.659966030 .85949689854E-01
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1.9838860978 -.56359144041
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.64836323942 -.51954009048
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0 0 1 1.0 1.0
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0.32 1.0000000000
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0 1 1 0.0 1.0
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0.16 1.0 1.0
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0 2 5 6.0 1.0
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75.401862017 .154353625324E-01
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17.274818978 .997382931840E-01
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5.1842347425 .312095939659
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1.6601211973 .492956748074
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.51232528958 .324203983180
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17 7
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0 0 5 2.0 1.0
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10449.827566 0.19708362484E-02
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1571.7365221 0.14754727977E-01
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357.12065523 0.66679112875E-01
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100.25185935 0.17228924084
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30.812727554 0.15883786100
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0 0 3 2.0 1.0
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51.923789434 -0.10009298909
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5.7045760975 0.60841752753
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2.3508376809 0.54352153355
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0 0 1 2.0 1.0
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0.49731621872 1.0000000000
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0 1 1 0.0 1.0
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0.21000000000 1.0 1.0
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0 2 5 6.0 1.0
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307.66790569 -0.87801484118E-02
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72.102015515 -0.63563355471E-01
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22.532680262 -0.24016428276
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7.8991765444 -0.47798866557
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2.8767268321 -0.38515850005
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0 2 1 5.0 1.0
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0.77358997479 1.0000000000
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0 3 1 0.0 1.0
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0.65000000000 1.0000000000
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99 0
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END
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DFT
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PBE0
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END
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SHRINK
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1 1
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TOLINTEG
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8 8 8 8 16
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MAXCYCLE
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60
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FMIXING
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80
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EXCHSIZE
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30000000
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BIPOSIZE
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30000000
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TOLDEE
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10
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GRADCAL
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MPP
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END
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Creating temporary directory /tmp/anttikar/CRY_10144 on node c839
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EXTERNAL geometry supercell-001.ext is available as /tmp/anttikar/CRY_10144/fort.34
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Preparing temporary directory /tmp/anttikar/CRY_10144 on node c840
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sending incremental file list
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./
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INPUT
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MPPcrystal
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fort.34 -> /homeappl/home/anttikar/work/test/nacl/MPP/supercell-001.ext
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jsub_machines
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sent 65104283 bytes received 75 bytes 43402905.33 bytes/sec
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total size is 65096084 speedup is 1.00
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48 PROCESSORS WORKING
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*******************************************************************************
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* *
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* CRYSTAL17 *
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* public : 1.0.1 - Feb 1st, 2017 *
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* HTTP://WWW.CRYSTAL.UNITO.IT *
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* *
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* MAIN AUTHORS *
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* *
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* R. DOVESI(1,11), V.R. SAUNDERS(2), C. ROETTI(1,11), R. ORLANDO(1,11), *
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* C.M. ZICOVICH-WILSON(1,3), F. PASCALE(4), B. CIVALLERI(1,11), *
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* K. DOLL(5), N.M. HARRISON(2,6), I.J. BUSH(7), Ph. D'ARCO(8), *
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* M. LLUNELL(9), M. CAUSA'(10), Y. NOEL(8), L. MASCHIO(1,11), A. ERBA(1,11) *
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* M. RE'RAT(14), S. CASASSA(1,11) *
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* *
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* CONTRIBUTIONS TO THE CODE HAVE ALSO BEEN GIVEN BY *
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* *
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* M. FERRABONE(1,11), M. DE LA PIERRE(1,11), M. FERRERO(1,11), *
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* J. BAIMA(1,11), E. ALBANESE(1,11), M.F. PEINTINGER(12), R. BAST(13), *
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* B. KIRTMAN(15), V. LACIVITA(1,11), R. DEMICHELIS(1,16) *
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* G. BRANDEBURG(17), S. SALUSTRO(1,11), G. SANSONE(1,11) *
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* M.T. RUGGIERO(18) *
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* *
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* (1) THEORETICAL CHEMISTRY GROUP - UNIVERSITA' DI TORINO - TORINO (ITALY) *
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* (2) COMPUTATIONAL SCIENCE & ENGINEERING DEPARTMENT - STFC DARESBURY (UK) *
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* (3) UNIVERSIDAD AUTONOMA DEL ESTADO DE MORELOS - CUERNAVACA (MEXICO) *
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* (4) UNIVERSITE' DE LORRAINE - NANCY (FRANCE) *
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* (5) UNIVERSITAET STUTTGART- STUTTGART (GERMANY) *
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* (6) IMPERIAL COLLEGE - LONDON (UK) *
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* (7) OXFORD E-RESEARCH CENTRE - OXFORD (UK) *
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* (8) UPMC - SORBONNE UNIVERSITES - PARIS (FRANCE) *
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* (9) UNIVERSIDAD DE BARCELONA - BARCELONA (SPAIN) *
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*(10) UNIVERSITA' DI NAPOLI "FEDERICO II" - NAPOLI (ITALY) *
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*(11) NIS - NANOSTRUCTURED INTERFACES AND SURFACES - TORINO (ITALY) *
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*(12) MPI FUER CHEMISCHE ENERGIEKONVERSION - MUELHEIM AN DER RUHR (GERMANY) *
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*(13) UNIVERSITY OF TROMSO - TROMSO (NORWAY) *
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*(14) UNIVERSITE' DE PAU ET DES PAYS DE L'ADOUR - PAU (FRANCE) *
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*(15) UNIVERSITY OF CALIFORNIA SANTA BARBARA - SANTA BARBARA (USA) *
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*(16) CURTIN UNIVERSITY - PERTH (AUSTRALIA) *
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*(17) UNIVERSITY COLLEGE LONDON - LONDON (UK) *
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*(18) CAMBRIDGE UNIVERSITY - CAMBRIDGE (UK) *
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* *
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*******************************************************************************
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EEEEEEEEEE STARTING DATE 10 06 2018 TIME 14:30:18.6
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Created by Phonopy CRYSTAL interface
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GEOMETRY INPUT FROM EXTERNAL FILE (FORTRAN UNIT 34)
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3D - CRYSTAL
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*******************************************************************************
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LATTICE PARAMETERS (ANGSTROMS AND DEGREES) - PRIMITIVE CELL
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A B C ALPHA BETA GAMMA VOLUME
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15.75383 15.75383 15.75383 60.00000 60.00000 60.00000 2764.670401
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INFORMATION **** CHKGRP **** SPGR WITH NO INVERSION
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NUMBER OF IRREDUCIBLE ATOMS IN THE CELL: 128
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CARTESIAN COORDINATES (ANGSTROM) - IRREDUCIBLE ATOMS AND SYMMETRY RELATED
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AT.IRR. AT AT.N. X Y Z
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1 1 11 0.000000000000E+00 7.071067812000E-03 7.071067812000E-03
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2 2 11 0.000000000000E+00 2.784909785000E+00 2.784909785000E+00
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3 3 11 0.000000000000E+00 5.569819570000E+00 5.569819570000E+00
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4 4 11 0.000000000000E+00 8.354729355000E+00 8.354729355000E+00
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5 5 11 2.784909785000E+00 0.000000000000E+00 2.784909785000E+00
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6 6 11 2.784909785000E+00 2.784909785000E+00 5.569819570000E+00
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7 7 11 2.784909785000E+00 5.569819570000E+00 8.354729355000E+00
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8 8 11 2.784909785000E+00 8.354729355000E+00 1.113963914000E+01
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9 9 11 5.569819570000E+00 0.000000000000E+00 5.569819570000E+00
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10 10 11 5.569819570000E+00 2.784909785000E+00 8.354729355000E+00
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11 11 11 5.569819570000E+00 5.569819570000E+00 1.113963914000E+01
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12 12 11 5.569819570000E+00 8.354729355000E+00 1.392454892500E+01
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13 13 11 8.354729355000E+00 0.000000000000E+00 8.354729355000E+00
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14 14 11 8.354729355000E+00 2.784909785000E+00 1.113963914000E+01
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15 15 11 8.354729355000E+00 5.569819570000E+00 1.392454892500E+01
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16 16 11 8.354729355000E+00 8.354729355000E+00 1.670945871000E+01
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17 17 11 2.784909785000E+00 2.784909785000E+00 0.000000000000E+00
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18 18 11 2.784909785000E+00 5.569819570000E+00 2.784909785000E+00
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19 19 11 2.784909785000E+00 8.354729355000E+00 5.569819570000E+00
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20 20 11 2.784909785000E+00 1.113963914000E+01 8.354729355000E+00
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21 21 11 5.569819570000E+00 2.784909785000E+00 2.784909785000E+00
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22 22 11 5.569819570000E+00 5.569819570000E+00 5.569819570000E+00
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23 23 11 5.569819570000E+00 8.354729355000E+00 8.354729355000E+00
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24 24 11 5.569819570000E+00 1.113963914000E+01 1.113963914000E+01
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25 25 11 8.354729355000E+00 2.784909785000E+00 5.569819570000E+00
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26 26 11 8.354729355000E+00 5.569819570000E+00 8.354729355000E+00
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27 27 11 8.354729355000E+00 8.354729355000E+00 1.113963914000E+01
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28 28 11 8.354729355000E+00 1.113963914000E+01 1.392454892500E+01
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29 29 11 1.113963914000E+01 2.784909785000E+00 8.354729355000E+00
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30 30 11 1.113963914000E+01 5.569819570000E+00 1.113963914000E+01
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31 31 11 1.113963914000E+01 8.354729355000E+00 1.392454892500E+01
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32 32 11 1.113963914000E+01 1.113963914000E+01 1.670945871000E+01
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33 33 11 5.569819570000E+00 5.569819570000E+00 0.000000000000E+00
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34 34 11 5.569819570000E+00 8.354729355000E+00 2.784909785000E+00
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35 35 11 5.569819570000E+00 1.113963914000E+01 5.569819570000E+00
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36 36 11 5.569819570000E+00 1.392454892500E+01 8.354729355000E+00
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37 37 11 8.354729355000E+00 5.569819570000E+00 2.784909785000E+00
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38 38 11 8.354729355000E+00 8.354729355000E+00 5.569819570000E+00
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39 39 11 8.354729355000E+00 1.113963914000E+01 8.354729355000E+00
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40 40 11 8.354729355000E+00 1.392454892500E+01 1.113963914000E+01
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41 41 11 1.113963914000E+01 5.569819570000E+00 5.569819570000E+00
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42 42 11 1.113963914000E+01 8.354729355000E+00 8.354729355000E+00
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43 43 11 1.113963914000E+01 1.113963914000E+01 1.113963914000E+01
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44 44 11 1.113963914000E+01 1.392454892500E+01 1.392454892500E+01
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45 45 11 1.392454892500E+01 5.569819570000E+00 8.354729355000E+00
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46 46 11 1.392454892500E+01 8.354729355000E+00 1.113963914000E+01
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47 47 11 1.392454892500E+01 1.113963914000E+01 1.392454892500E+01
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48 48 11 1.392454892500E+01 1.392454892500E+01 1.670945871000E+01
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49 49 11 8.354729355000E+00 8.354729355000E+00 0.000000000000E+00
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50 50 11 8.354729355000E+00 1.113963914000E+01 2.784909785000E+00
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51 51 11 8.354729355000E+00 1.392454892500E+01 5.569819570000E+00
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52 52 11 8.354729355000E+00 1.670945871000E+01 8.354729355000E+00
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53 53 11 1.113963914000E+01 8.354729355000E+00 2.784909785000E+00
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54 54 11 1.113963914000E+01 1.113963914000E+01 5.569819570000E+00
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55 55 11 1.113963914000E+01 1.392454892500E+01 8.354729355000E+00
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56 56 11 1.113963914000E+01 1.670945871000E+01 1.113963914000E+01
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57 57 11 1.392454892500E+01 8.354729355000E+00 5.569819570000E+00
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58 58 11 1.392454892500E+01 1.113963914000E+01 8.354729355000E+00
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59 59 11 1.392454892500E+01 1.392454892500E+01 1.113963914000E+01
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60 60 11 1.392454892500E+01 1.670945871000E+01 1.392454892500E+01
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61 61 11 1.670945871000E+01 8.354729355000E+00 8.354729355000E+00
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62 62 11 1.670945871000E+01 1.113963914000E+01 1.113963914000E+01
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63 63 11 1.670945871000E+01 1.392454892500E+01 1.392454892500E+01
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64 64 11 1.670945871000E+01 1.670945871000E+01 1.670945871000E+01
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65 65 17 2.784909785000E+00 1.113963914000E+01 1.113963914000E+01
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66 66 17 2.784909785000E+00 2.784909785000E+00 2.784909785000E+00
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67 67 17 2.784909785000E+00 5.569819570000E+00 5.569819570000E+00
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68 68 17 2.784909785000E+00 8.354729355000E+00 8.354729355000E+00
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69 69 17 5.569819570000E+00 1.113963914000E+01 1.392454892500E+01
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70 70 17 5.569819570000E+00 2.784909785000E+00 5.569819570000E+00
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71 71 17 5.569819570000E+00 5.569819570000E+00 8.354729355000E+00
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72 72 17 5.569819570000E+00 8.354729355000E+00 1.113963914000E+01
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73 73 17 8.354729355000E+00 1.113963914000E+01 1.670945871000E+01
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74 74 17 8.354729355000E+00 2.784909785000E+00 8.354729355000E+00
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75 75 17 8.354729355000E+00 5.569819570000E+00 1.113963914000E+01
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76 76 17 8.354729355000E+00 8.354729355000E+00 1.392454892500E+01
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77 77 17 1.113963914000E+01 1.113963914000E+01 1.949436849500E+01
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78 78 17 1.113963914000E+01 2.784909785000E+00 1.113963914000E+01
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79 79 17 1.113963914000E+01 5.569819570000E+00 1.392454892500E+01
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80 80 17 1.113963914000E+01 8.354729355000E+00 1.670945871000E+01
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81 81 17 5.569819570000E+00 1.392454892500E+01 1.113963914000E+01
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82 82 17 5.569819570000E+00 5.569819570000E+00 2.784909785000E+00
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83 83 17 5.569819570000E+00 8.354729355000E+00 5.569819570000E+00
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84 84 17 5.569819570000E+00 1.113963914000E+01 8.354729355000E+00
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85 85 17 8.354729355000E+00 1.392454892500E+01 1.392454892500E+01
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86 86 17 8.354729355000E+00 5.569819570000E+00 5.569819570000E+00
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87 87 17 8.354729355000E+00 8.354729355000E+00 8.354729355000E+00
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88 88 17 8.354729355000E+00 1.113963914000E+01 1.113963914000E+01
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89 89 17 1.113963914000E+01 1.392454892500E+01 1.670945871000E+01
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90 90 17 1.113963914000E+01 5.569819570000E+00 8.354729355000E+00
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91 91 17 1.113963914000E+01 8.354729355000E+00 1.113963914000E+01
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92 92 17 1.113963914000E+01 1.113963914000E+01 1.392454892500E+01
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93 93 17 1.392454892500E+01 1.392454892500E+01 1.949436849500E+01
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94 94 17 1.392454892500E+01 5.569819570000E+00 1.113963914000E+01
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95 95 17 1.392454892500E+01 8.354729355000E+00 1.392454892500E+01
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96 96 17 1.392454892500E+01 1.113963914000E+01 1.670945871000E+01
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97 97 17 8.354729355000E+00 1.670945871000E+01 1.113963914000E+01
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98 98 17 8.354729355000E+00 8.354729355000E+00 2.784909785000E+00
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99 99 17 8.354729355000E+00 1.113963914000E+01 5.569819570000E+00
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100 100 17 8.354729355000E+00 1.392454892500E+01 8.354729355000E+00
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101 101 17 1.113963914000E+01 1.670945871000E+01 1.392454892500E+01
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102 102 17 1.113963914000E+01 8.354729355000E+00 5.569819570000E+00
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103 103 17 1.113963914000E+01 1.113963914000E+01 8.354729355000E+00
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104 104 17 1.113963914000E+01 1.392454892500E+01 1.113963914000E+01
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105 105 17 1.392454892500E+01 1.670945871000E+01 1.670945871000E+01
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106 106 17 1.392454892500E+01 8.354729355000E+00 8.354729355000E+00
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107 107 17 1.392454892500E+01 1.113963914000E+01 1.113963914000E+01
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108 108 17 1.392454892500E+01 1.392454892500E+01 1.392454892500E+01
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109 109 17 1.670945871000E+01 1.670945871000E+01 1.949436849500E+01
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110 110 17 1.670945871000E+01 8.354729355000E+00 1.113963914000E+01
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111 111 17 1.670945871000E+01 1.113963914000E+01 1.392454892500E+01
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112 112 17 1.670945871000E+01 1.392454892500E+01 1.670945871000E+01
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113 113 17 1.113963914000E+01 1.949436849500E+01 1.113963914000E+01
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114 114 17 1.113963914000E+01 1.113963914000E+01 2.784909785000E+00
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115 115 17 1.113963914000E+01 1.392454892500E+01 5.569819570000E+00
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116 116 17 1.113963914000E+01 1.670945871000E+01 8.354729355000E+00
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117 117 17 1.392454892500E+01 1.949436849500E+01 1.392454892500E+01
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118 118 17 1.392454892500E+01 1.113963914000E+01 5.569819570000E+00
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119 119 17 1.392454892500E+01 1.392454892500E+01 8.354729355000E+00
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120 120 17 1.392454892500E+01 1.670945871000E+01 1.113963914000E+01
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121 121 17 1.670945871000E+01 1.949436849500E+01 1.670945871000E+01
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122 122 17 1.670945871000E+01 1.113963914000E+01 8.354729355000E+00
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123 123 17 1.670945871000E+01 1.392454892500E+01 1.113963914000E+01
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124 124 17 1.670945871000E+01 1.670945871000E+01 1.392454892500E+01
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125 125 17 1.949436849500E+01 1.949436849500E+01 1.949436849500E+01
|
|
126 126 17 1.949436849500E+01 1.113963914000E+01 1.113963914000E+01
|
|
127 127 17 1.949436849500E+01 1.392454892500E+01 1.392454892500E+01
|
|
128 128 17 1.949436849500E+01 1.670945871000E+01 1.670945871000E+01
|
|
NUMBER OF SYMMETRY OPERATORS : 1
|
|
*******************************************************************************
|
|
LATTICE PARAMETERS (ANGSTROMS AND DEGREES) - BOHR = 0.5291772083 ANGSTROM
|
|
PRIMITIVE CELL - CENTRING CODE 1/0 VOLUME= 2764.670401 - DENSITY 2.228 g/cm^3
|
|
A B C ALPHA BETA GAMMA
|
|
15.75382875 15.75382875 15.75382875 60.000000 60.000000 60.000000
|
|
*******************************************************************************
|
|
ATOMS IN THE ASYMMETRIC UNIT 128 - ATOMS IN THE UNIT CELL: 128
|
|
ATOM X/A Y/B Z/C
|
|
*******************************************************************************
|
|
1 T 11 NA 6.347663261918E-04 1.293161595056E-20 -1.293161595056E-20
|
|
2 T 11 NA 2.500000000000E-01 2.019909446387E-18 -2.019909446387E-18
|
|
3 T 11 NA -5.000000000000E-01 4.039818892773E-18 -4.039818892773E-18
|
|
4 T 11 NA -2.500000000000E-01 6.059728339160E-18 -6.059728339160E-18
|
|
5 T 11 NA 2.019909446387E-18 2.500000000000E-01 -2.019909446387E-18
|
|
6 T 11 NA 2.500000000000E-01 2.500000000000E-01 -4.039818892773E-18
|
|
7 T 11 NA -5.000000000000E-01 2.500000000000E-01 -6.059728339160E-18
|
|
8 T 11 NA -2.500000000000E-01 2.500000000000E-01 -8.079637785546E-18
|
|
9 T 11 NA 4.039818892773E-18 -5.000000000000E-01 -4.039818892773E-18
|
|
10 T 11 NA 2.500000000000E-01 -5.000000000000E-01 -6.059728339160E-18
|
|
11 T 11 NA -5.000000000000E-01 -5.000000000000E-01 -8.079637785546E-18
|
|
12 T 11 NA -2.500000000000E-01 -5.000000000000E-01 -1.009954723193E-17
|
|
13 T 11 NA 6.059728339160E-18 -2.500000000000E-01 -6.059728339160E-18
|
|
14 T 11 NA 2.500000000000E-01 -2.500000000000E-01 -8.079637785546E-18
|
|
15 T 11 NA -5.000000000000E-01 -2.500000000000E-01 -1.009954723193E-17
|
|
16 T 11 NA -2.500000000000E-01 -2.500000000000E-01 -1.211945667832E-17
|
|
17 T 11 NA 0.000000000000E+00 0.000000000000E+00 2.500000000000E-01
|
|
18 T 11 NA 2.500000000000E-01 2.019909446387E-18 2.500000000000E-01
|
|
19 T 11 NA -5.000000000000E-01 4.039818892773E-18 2.500000000000E-01
|
|
20 T 11 NA -2.500000000000E-01 6.059728339160E-18 2.500000000000E-01
|
|
21 T 11 NA 2.019909446387E-18 2.500000000000E-01 2.500000000000E-01
|
|
22 T 11 NA 2.500000000000E-01 2.500000000000E-01 2.500000000000E-01
|
|
23 T 11 NA -5.000000000000E-01 2.500000000000E-01 2.500000000000E-01
|
|
24 T 11 NA -2.500000000000E-01 2.500000000000E-01 2.500000000000E-01
|
|
25 T 11 NA 4.039818892773E-18 -5.000000000000E-01 2.500000000000E-01
|
|
26 T 11 NA 2.500000000000E-01 -5.000000000000E-01 2.500000000000E-01
|
|
27 T 11 NA -5.000000000000E-01 -5.000000000000E-01 2.500000000000E-01
|
|
28 T 11 NA -2.500000000000E-01 -5.000000000000E-01 2.500000000000E-01
|
|
29 T 11 NA 6.059728339160E-18 -2.500000000000E-01 2.500000000000E-01
|
|
30 T 11 NA 2.500000000000E-01 -2.500000000000E-01 2.500000000000E-01
|
|
31 T 11 NA -5.000000000000E-01 -2.500000000000E-01 2.500000000000E-01
|
|
32 T 11 NA -2.500000000000E-01 -2.500000000000E-01 2.500000000000E-01
|
|
33 T 11 NA 0.000000000000E+00 0.000000000000E+00 -5.000000000000E-01
|
|
34 T 11 NA 2.500000000000E-01 2.019909446387E-18 -5.000000000000E-01
|
|
35 T 11 NA -5.000000000000E-01 4.039818892773E-18 -5.000000000000E-01
|
|
36 T 11 NA -2.500000000000E-01 6.059728339160E-18 -5.000000000000E-01
|
|
37 T 11 NA 2.019909446387E-18 2.500000000000E-01 -5.000000000000E-01
|
|
38 T 11 NA 2.500000000000E-01 2.500000000000E-01 -5.000000000000E-01
|
|
39 T 11 NA -5.000000000000E-01 2.500000000000E-01 -5.000000000000E-01
|
|
40 T 11 NA -2.500000000000E-01 2.500000000000E-01 -5.000000000000E-01
|
|
41 T 11 NA 4.039818892773E-18 -5.000000000000E-01 -5.000000000000E-01
|
|
42 T 11 NA 2.500000000000E-01 -5.000000000000E-01 -5.000000000000E-01
|
|
43 T 11 NA -5.000000000000E-01 -5.000000000000E-01 -5.000000000000E-01
|
|
44 T 11 NA -2.500000000000E-01 -5.000000000000E-01 -5.000000000000E-01
|
|
45 T 11 NA 6.059728339160E-18 -2.500000000000E-01 -5.000000000000E-01
|
|
46 T 11 NA 2.500000000000E-01 -2.500000000000E-01 -5.000000000000E-01
|
|
47 T 11 NA -5.000000000000E-01 -2.500000000000E-01 -5.000000000000E-01
|
|
48 T 11 NA -2.500000000000E-01 -2.500000000000E-01 -5.000000000000E-01
|
|
49 T 11 NA 0.000000000000E+00 0.000000000000E+00 -2.500000000000E-01
|
|
50 T 11 NA 2.500000000000E-01 2.019909446387E-18 -2.500000000000E-01
|
|
51 T 11 NA -5.000000000000E-01 4.039818892773E-18 -2.500000000000E-01
|
|
52 T 11 NA -2.500000000000E-01 6.059728339160E-18 -2.500000000000E-01
|
|
53 T 11 NA 2.019909446387E-18 2.500000000000E-01 -2.500000000000E-01
|
|
54 T 11 NA 2.500000000000E-01 2.500000000000E-01 -2.500000000000E-01
|
|
55 T 11 NA -5.000000000000E-01 2.500000000000E-01 -2.500000000000E-01
|
|
56 T 11 NA -2.500000000000E-01 2.500000000000E-01 -2.500000000000E-01
|
|
57 T 11 NA 4.039818892773E-18 -5.000000000000E-01 -2.500000000000E-01
|
|
58 T 11 NA 2.500000000000E-01 -5.000000000000E-01 -2.500000000000E-01
|
|
59 T 11 NA -5.000000000000E-01 -5.000000000000E-01 -2.500000000000E-01
|
|
60 T 11 NA -2.500000000000E-01 -5.000000000000E-01 -2.500000000000E-01
|
|
61 T 11 NA 6.059728339160E-18 -2.500000000000E-01 -2.500000000000E-01
|
|
62 T 11 NA 2.500000000000E-01 -2.500000000000E-01 -2.500000000000E-01
|
|
63 T 11 NA -5.000000000000E-01 -2.500000000000E-01 -2.500000000000E-01
|
|
64 T 11 NA -2.500000000000E-01 -2.500000000000E-01 -2.500000000000E-01
|
|
65 T 17 CL -1.250000000000E-01 1.250000000000E-01 1.250000000000E-01
|
|
66 T 17 CL 1.250000000000E-01 1.250000000000E-01 1.250000000000E-01
|
|
67 T 17 CL 3.750000000000E-01 1.250000000000E-01 1.250000000000E-01
|
|
68 T 17 CL -3.750000000000E-01 1.250000000000E-01 1.250000000000E-01
|
|
69 T 17 CL -1.250000000000E-01 3.750000000000E-01 1.250000000000E-01
|
|
70 T 17 CL 1.250000000000E-01 3.750000000000E-01 1.250000000000E-01
|
|
71 T 17 CL 3.750000000000E-01 3.750000000000E-01 1.250000000000E-01
|
|
72 T 17 CL -3.750000000000E-01 3.750000000000E-01 1.250000000000E-01
|
|
73 T 17 CL -1.250000000000E-01 -3.750000000000E-01 1.250000000000E-01
|
|
74 T 17 CL 1.250000000000E-01 -3.750000000000E-01 1.250000000000E-01
|
|
75 T 17 CL 3.750000000000E-01 -3.750000000000E-01 1.250000000000E-01
|
|
76 T 17 CL -3.750000000000E-01 -3.750000000000E-01 1.250000000000E-01
|
|
77 T 17 CL -1.250000000000E-01 -1.250000000000E-01 1.250000000000E-01
|
|
78 T 17 CL 1.250000000000E-01 -1.250000000000E-01 1.250000000000E-01
|
|
79 T 17 CL 3.750000000000E-01 -1.250000000000E-01 1.250000000000E-01
|
|
80 T 17 CL -3.750000000000E-01 -1.250000000000E-01 1.250000000000E-01
|
|
81 T 17 CL -1.250000000000E-01 1.250000000000E-01 3.750000000000E-01
|
|
82 T 17 CL 1.250000000000E-01 1.250000000000E-01 3.750000000000E-01
|
|
83 T 17 CL 3.750000000000E-01 1.250000000000E-01 3.750000000000E-01
|
|
84 T 17 CL -3.750000000000E-01 1.250000000000E-01 3.750000000000E-01
|
|
85 T 17 CL -1.250000000000E-01 3.750000000000E-01 3.750000000000E-01
|
|
86 T 17 CL 1.250000000000E-01 3.750000000000E-01 3.750000000000E-01
|
|
87 T 17 CL 3.750000000000E-01 3.750000000000E-01 3.750000000000E-01
|
|
88 T 17 CL -3.750000000000E-01 3.750000000000E-01 3.750000000000E-01
|
|
89 T 17 CL -1.250000000000E-01 -3.750000000000E-01 3.750000000000E-01
|
|
90 T 17 CL 1.250000000000E-01 -3.750000000000E-01 3.750000000000E-01
|
|
91 T 17 CL 3.750000000000E-01 -3.750000000000E-01 3.750000000000E-01
|
|
92 T 17 CL -3.750000000000E-01 -3.750000000000E-01 3.750000000000E-01
|
|
93 T 17 CL -1.250000000000E-01 -1.250000000000E-01 3.750000000000E-01
|
|
94 T 17 CL 1.250000000000E-01 -1.250000000000E-01 3.750000000000E-01
|
|
95 T 17 CL 3.750000000000E-01 -1.250000000000E-01 3.750000000000E-01
|
|
96 T 17 CL -3.750000000000E-01 -1.250000000000E-01 3.750000000000E-01
|
|
97 T 17 CL -1.250000000000E-01 1.250000000000E-01 -3.750000000000E-01
|
|
98 T 17 CL 1.250000000000E-01 1.250000000000E-01 -3.750000000000E-01
|
|
99 T 17 CL 3.750000000000E-01 1.250000000000E-01 -3.750000000000E-01
|
|
100 T 17 CL -3.750000000000E-01 1.250000000000E-01 -3.750000000000E-01
|
|
101 T 17 CL -1.250000000000E-01 3.750000000000E-01 -3.750000000000E-01
|
|
102 T 17 CL 1.250000000000E-01 3.750000000000E-01 -3.750000000000E-01
|
|
103 T 17 CL 3.750000000000E-01 3.750000000000E-01 -3.750000000000E-01
|
|
104 T 17 CL -3.750000000000E-01 3.750000000000E-01 -3.750000000000E-01
|
|
105 T 17 CL -1.250000000000E-01 -3.750000000000E-01 -3.750000000000E-01
|
|
106 T 17 CL 1.250000000000E-01 -3.750000000000E-01 -3.750000000000E-01
|
|
107 T 17 CL 3.750000000000E-01 -3.750000000000E-01 -3.750000000000E-01
|
|
108 T 17 CL -3.750000000000E-01 -3.750000000000E-01 -3.750000000000E-01
|
|
109 T 17 CL -1.250000000000E-01 -1.250000000000E-01 -3.750000000000E-01
|
|
110 T 17 CL 1.250000000000E-01 -1.250000000000E-01 -3.750000000000E-01
|
|
111 T 17 CL 3.750000000000E-01 -1.250000000000E-01 -3.750000000000E-01
|
|
112 T 17 CL -3.750000000000E-01 -1.250000000000E-01 -3.750000000000E-01
|
|
113 T 17 CL -1.250000000000E-01 1.250000000000E-01 -1.250000000000E-01
|
|
114 T 17 CL 1.250000000000E-01 1.250000000000E-01 -1.250000000000E-01
|
|
115 T 17 CL 3.750000000000E-01 1.250000000000E-01 -1.250000000000E-01
|
|
116 T 17 CL -3.750000000000E-01 1.250000000000E-01 -1.250000000000E-01
|
|
117 T 17 CL -1.250000000000E-01 3.750000000000E-01 -1.250000000000E-01
|
|
118 T 17 CL 1.250000000000E-01 3.750000000000E-01 -1.250000000000E-01
|
|
119 T 17 CL 3.750000000000E-01 3.750000000000E-01 -1.250000000000E-01
|
|
120 T 17 CL -3.750000000000E-01 3.750000000000E-01 -1.250000000000E-01
|
|
121 T 17 CL -1.250000000000E-01 -3.750000000000E-01 -1.250000000000E-01
|
|
122 T 17 CL 1.250000000000E-01 -3.750000000000E-01 -1.250000000000E-01
|
|
123 T 17 CL 3.750000000000E-01 -3.750000000000E-01 -1.250000000000E-01
|
|
124 T 17 CL -3.750000000000E-01 -3.750000000000E-01 -1.250000000000E-01
|
|
125 T 17 CL -1.250000000000E-01 -1.250000000000E-01 -1.250000000000E-01
|
|
126 T 17 CL 1.250000000000E-01 -1.250000000000E-01 -1.250000000000E-01
|
|
127 T 17 CL 3.750000000000E-01 -1.250000000000E-01 -1.250000000000E-01
|
|
128 T 17 CL -3.750000000000E-01 -1.250000000000E-01 -1.250000000000E-01
|
|
|
|
T = ATOM BELONGING TO THE ASYMMETRIC UNIT
|
|
*******************************************************************************
|
|
* GEOMETRY EDITING - INPUT COORDINATES ARE GIVEN IN ANGSTROM
|
|
*******************************************************************************
|
|
|
|
GCALCO - MAX INDICES DIRECT LATTICE VECTOR 14 14 14
|
|
NO.OF VECTORS CREATED 6999 STARS 105 RMAX 315.06053 BOHR
|
|
|
|
GEOMETRY FOR WAVE FUNCTION - DIMENSIONALITY OF THE SYSTEM 3
|
|
(NON PERIODIC DIRECTION: LATTICE PARAMETER FORMALLY SET TO 500)
|
|
*******************************************************************************
|
|
LATTICE PARAMETERS (ANGSTROMS AND DEGREES) - BOHR = 0.5291772083 ANGSTROM
|
|
PRIMITIVE CELL - CENTRING CODE 1/0 VOLUME= 2764.670401 - DENSITY 2.228 g/cm^3
|
|
A B C ALPHA BETA GAMMA
|
|
15.75382875 15.75382875 15.75382875 60.000000 60.000000 60.000000
|
|
*******************************************************************************
|
|
ATOMS IN THE ASYMMETRIC UNIT 128 - ATOMS IN THE UNIT CELL: 128
|
|
ATOM X/A Y/B Z/C
|
|
*******************************************************************************
|
|
1 T 11 NA 6.347663261918E-04 -9.258804133146E-21 9.258804133146E-21
|
|
2 T 11 NA 2.500000000000E-01 -4.776101526044E-18 4.776101526044E-18
|
|
3 T 11 NA -5.000000000000E-01 -9.552203052088E-18 9.552203052088E-18
|
|
4 T 11 NA -2.500000000000E-01 -4.505167703169E-19 4.505167703169E-19
|
|
5 T 11 NA 6.264397570548E-18 2.500000000000E-01 -1.883468613001E-18
|
|
6 T 11 NA 2.500000000000E-01 2.500000000000E-01 -1.820337256354E-17
|
|
7 T 11 NA -5.000000000000E-01 2.500000000000E-01 4.505167703169E-19
|
|
8 T 11 NA -2.500000000000E-01 2.500000000000E-01 -3.640674512708E-17
|
|
9 T 11 NA -7.903451369949E-19 5.000000000000E-01 9.552203052088E-18
|
|
10 T 11 NA 2.500000000000E-01 5.000000000000E-01 4.505167703169E-19
|
|
11 T 11 NA -5.000000000000E-01 5.000000000000E-01 1.910440610418E-17
|
|
12 T 11 NA -2.500000000000E-01 5.000000000000E-01 -1.775285579322E-17
|
|
13 T 11 NA 1.213362257260E-17 -2.500000000000E-01 -1.286862350777E-17
|
|
14 T 11 NA 2.500000000000E-01 -2.500000000000E-01 -3.640674512708E-17
|
|
15 T 11 NA -5.000000000000E-01 -2.500000000000E-01 -1.775285579322E-17
|
|
16 T 11 NA -2.500000000000E-01 -2.500000000000E-01 -1.101212689219E-16
|
|
17 T 11 NA 0.000000000000E+00 0.000000000000E+00 2.500000000000E-01
|
|
18 T 11 NA 2.500000000000E-01 -1.865388933386E-17 2.500000000000E-01
|
|
19 T 11 NA -5.000000000000E-01 1.820337256354E-17 2.500000000000E-01
|
|
20 T 11 NA -2.500000000000E-01 -5.596166800157E-17 2.500000000000E-01
|
|
21 T 11 NA 6.264397570548E-18 2.500000000000E-01 2.500000000000E-01
|
|
22 T 11 NA 2.500000000000E-01 2.500000000000E-01 2.500000000000E-01
|
|
23 T 11 NA -5.000000000000E-01 2.500000000000E-01 2.500000000000E-01
|
|
24 T 11 NA -2.500000000000E-01 2.500000000000E-01 2.500000000000E-01
|
|
25 T 11 NA -7.903451369949E-19 5.000000000000E-01 2.500000000000E-01
|
|
26 T 11 NA 2.500000000000E-01 5.000000000000E-01 2.500000000000E-01
|
|
27 T 11 NA -5.000000000000E-01 5.000000000000E-01 2.500000000000E-01
|
|
28 T 11 NA -2.500000000000E-01 5.000000000000E-01 2.500000000000E-01
|
|
29 T 11 NA 6.764477380386E-17 -2.500000000000E-01 2.500000000000E-01
|
|
30 T 11 NA 2.500000000000E-01 -2.500000000000E-01 2.500000000000E-01
|
|
31 T 11 NA -5.000000000000E-01 -2.500000000000E-01 2.500000000000E-01
|
|
32 T 11 NA -2.500000000000E-01 -2.500000000000E-01 2.500000000000E-01
|
|
33 T 11 NA 0.000000000000E+00 0.000000000000E+00 5.000000000000E-01
|
|
34 T 11 NA 2.500000000000E-01 9.101686281771E-18 5.000000000000E-01
|
|
35 T 11 NA -5.000000000000E-01 -9.552203052088E-18 5.000000000000E-01
|
|
36 T 11 NA -2.500000000000E-01 9.725264541411E-17 5.000000000000E-01
|
|
37 T 11 NA -2.149117804508E-17 2.500000000000E-01 5.000000000000E-01
|
|
38 T 11 NA 2.500000000000E-01 2.500000000000E-01 5.000000000000E-01
|
|
39 T 11 NA -5.000000000000E-01 2.500000000000E-01 5.000000000000E-01
|
|
40 T 11 NA -2.500000000000E-01 2.500000000000E-01 5.000000000000E-01
|
|
41 T 11 NA -7.903451369949E-19 5.000000000000E-01 5.000000000000E-01
|
|
42 T 11 NA 2.500000000000E-01 5.000000000000E-01 5.000000000000E-01
|
|
43 T 11 NA -5.000000000000E-01 5.000000000000E-01 5.000000000000E-01
|
|
44 T 11 NA -2.500000000000E-01 5.000000000000E-01 5.000000000000E-01
|
|
45 T 11 NA 9.428305436004E-17 -2.500000000000E-01 5.000000000000E-01
|
|
46 T 11 NA 2.500000000000E-01 -2.500000000000E-01 5.000000000000E-01
|
|
47 T 11 NA -5.000000000000E-01 -2.500000000000E-01 5.000000000000E-01
|
|
48 T 11 NA -2.500000000000E-01 -2.500000000000E-01 5.000000000000E-01
|
|
49 T 11 NA 0.000000000000E+00 0.000000000000E+00 -2.500000000000E-01
|
|
50 T 11 NA 2.500000000000E-01 -1.865388933386E-17 -2.500000000000E-01
|
|
51 T 11 NA -5.000000000000E-01 1.820337256354E-17 -2.500000000000E-01
|
|
52 T 11 NA -2.500000000000E-01 5.506063446094E-17 -2.500000000000E-01
|
|
53 T 11 NA 3.401997318618E-17 2.500000000000E-01 -2.500000000000E-01
|
|
54 T 11 NA 2.500000000000E-01 2.500000000000E-01 -2.500000000000E-01
|
|
55 T 11 NA -5.000000000000E-01 2.500000000000E-01 -2.500000000000E-01
|
|
56 T 11 NA -2.500000000000E-01 2.500000000000E-01 -2.500000000000E-01
|
|
57 T 11 NA -7.903451369949E-19 5.000000000000E-01 -2.500000000000E-01
|
|
58 T 11 NA 2.500000000000E-01 5.000000000000E-01 -2.500000000000E-01
|
|
59 T 11 NA -5.000000000000E-01 5.000000000000E-01 -2.500000000000E-01
|
|
60 T 11 NA -2.500000000000E-01 5.000000000000E-01 -2.500000000000E-01
|
|
61 T 11 NA 1.213362257260E-17 -2.500000000000E-01 -2.500000000000E-01
|
|
62 T 11 NA 2.500000000000E-01 -2.500000000000E-01 -2.500000000000E-01
|
|
63 T 11 NA -5.000000000000E-01 -2.500000000000E-01 -2.500000000000E-01
|
|
64 T 11 NA -2.500000000000E-01 -2.500000000000E-01 -2.500000000000E-01
|
|
65 T 17 CL -1.250000000000E-01 1.250000000000E-01 1.250000000000E-01
|
|
66 T 17 CL 1.250000000000E-01 1.250000000000E-01 1.250000000000E-01
|
|
67 T 17 CL 3.750000000000E-01 1.250000000000E-01 1.250000000000E-01
|
|
68 T 17 CL -3.750000000000E-01 1.250000000000E-01 1.250000000000E-01
|
|
69 T 17 CL -1.250000000000E-01 3.750000000000E-01 1.250000000000E-01
|
|
70 T 17 CL 1.250000000000E-01 3.750000000000E-01 1.250000000000E-01
|
|
71 T 17 CL 3.750000000000E-01 3.750000000000E-01 1.250000000000E-01
|
|
72 T 17 CL -3.750000000000E-01 3.750000000000E-01 1.250000000000E-01
|
|
73 T 17 CL -1.250000000000E-01 -3.750000000000E-01 1.250000000000E-01
|
|
74 T 17 CL 1.250000000000E-01 -3.750000000000E-01 1.250000000000E-01
|
|
75 T 17 CL 3.750000000000E-01 -3.750000000000E-01 1.250000000000E-01
|
|
76 T 17 CL -3.750000000000E-01 -3.750000000000E-01 1.250000000000E-01
|
|
77 T 17 CL -1.250000000000E-01 -1.250000000000E-01 1.250000000000E-01
|
|
78 T 17 CL 1.250000000000E-01 -1.250000000000E-01 1.250000000000E-01
|
|
79 T 17 CL 3.750000000000E-01 -1.250000000000E-01 1.250000000000E-01
|
|
80 T 17 CL -3.750000000000E-01 -1.250000000000E-01 1.250000000000E-01
|
|
81 T 17 CL -1.250000000000E-01 1.250000000000E-01 3.750000000000E-01
|
|
82 T 17 CL 1.250000000000E-01 1.250000000000E-01 3.750000000000E-01
|
|
83 T 17 CL 3.750000000000E-01 1.250000000000E-01 3.750000000000E-01
|
|
84 T 17 CL -3.750000000000E-01 1.250000000000E-01 3.750000000000E-01
|
|
85 T 17 CL -1.250000000000E-01 3.750000000000E-01 3.750000000000E-01
|
|
86 T 17 CL 1.250000000000E-01 3.750000000000E-01 3.750000000000E-01
|
|
87 T 17 CL 3.750000000000E-01 3.750000000000E-01 3.750000000000E-01
|
|
88 T 17 CL -3.750000000000E-01 3.750000000000E-01 3.750000000000E-01
|
|
89 T 17 CL -1.250000000000E-01 -3.750000000000E-01 3.750000000000E-01
|
|
90 T 17 CL 1.250000000000E-01 -3.750000000000E-01 3.750000000000E-01
|
|
91 T 17 CL 3.750000000000E-01 -3.750000000000E-01 3.750000000000E-01
|
|
92 T 17 CL -3.750000000000E-01 -3.750000000000E-01 3.750000000000E-01
|
|
93 T 17 CL -1.250000000000E-01 -1.250000000000E-01 3.750000000000E-01
|
|
94 T 17 CL 1.250000000000E-01 -1.250000000000E-01 3.750000000000E-01
|
|
95 T 17 CL 3.750000000000E-01 -1.250000000000E-01 3.750000000000E-01
|
|
96 T 17 CL -3.750000000000E-01 -1.250000000000E-01 3.750000000000E-01
|
|
97 T 17 CL -1.250000000000E-01 1.250000000000E-01 -3.750000000000E-01
|
|
98 T 17 CL 1.250000000000E-01 1.250000000000E-01 -3.750000000000E-01
|
|
99 T 17 CL 3.750000000000E-01 1.250000000000E-01 -3.750000000000E-01
|
|
100 T 17 CL -3.750000000000E-01 1.250000000000E-01 -3.750000000000E-01
|
|
101 T 17 CL -1.250000000000E-01 3.750000000000E-01 -3.750000000000E-01
|
|
102 T 17 CL 1.250000000000E-01 3.750000000000E-01 -3.750000000000E-01
|
|
103 T 17 CL 3.750000000000E-01 3.750000000000E-01 -3.750000000000E-01
|
|
104 T 17 CL -3.750000000000E-01 3.750000000000E-01 -3.750000000000E-01
|
|
105 T 17 CL -1.250000000000E-01 -3.750000000000E-01 -3.750000000000E-01
|
|
106 T 17 CL 1.250000000000E-01 -3.750000000000E-01 -3.750000000000E-01
|
|
107 T 17 CL 3.750000000000E-01 -3.750000000000E-01 -3.750000000000E-01
|
|
108 T 17 CL -3.750000000000E-01 -3.750000000000E-01 -3.750000000000E-01
|
|
109 T 17 CL -1.250000000000E-01 -1.250000000000E-01 -3.750000000000E-01
|
|
110 T 17 CL 1.250000000000E-01 -1.250000000000E-01 -3.750000000000E-01
|
|
111 T 17 CL 3.750000000000E-01 -1.250000000000E-01 -3.750000000000E-01
|
|
112 T 17 CL -3.750000000000E-01 -1.250000000000E-01 -3.750000000000E-01
|
|
113 T 17 CL -1.250000000000E-01 1.250000000000E-01 -1.250000000000E-01
|
|
114 T 17 CL 1.250000000000E-01 1.250000000000E-01 -1.250000000000E-01
|
|
115 T 17 CL 3.750000000000E-01 1.250000000000E-01 -1.250000000000E-01
|
|
116 T 17 CL -3.750000000000E-01 1.250000000000E-01 -1.250000000000E-01
|
|
117 T 17 CL -1.250000000000E-01 3.750000000000E-01 -1.250000000000E-01
|
|
118 T 17 CL 1.250000000000E-01 3.750000000000E-01 -1.250000000000E-01
|
|
119 T 17 CL 3.750000000000E-01 3.750000000000E-01 -1.250000000000E-01
|
|
120 T 17 CL -3.750000000000E-01 3.750000000000E-01 -1.250000000000E-01
|
|
121 T 17 CL -1.250000000000E-01 -3.750000000000E-01 -1.250000000000E-01
|
|
122 T 17 CL 1.250000000000E-01 -3.750000000000E-01 -1.250000000000E-01
|
|
123 T 17 CL 3.750000000000E-01 -3.750000000000E-01 -1.250000000000E-01
|
|
124 T 17 CL -3.750000000000E-01 -3.750000000000E-01 -1.250000000000E-01
|
|
125 T 17 CL -1.250000000000E-01 -1.250000000000E-01 -1.250000000000E-01
|
|
126 T 17 CL 1.250000000000E-01 -1.250000000000E-01 -1.250000000000E-01
|
|
127 T 17 CL 3.750000000000E-01 -1.250000000000E-01 -1.250000000000E-01
|
|
128 T 17 CL -3.750000000000E-01 -1.250000000000E-01 -1.250000000000E-01
|
|
|
|
T = ATOM BELONGING TO THE ASYMMETRIC UNIT
|
|
|
|
**** 1 SYMMOPS - TRANSLATORS IN FRACTIONAL UNITS
|
|
**** MATRICES AND TRANSLATORS IN THE CRYSTALLOGRAPHIC REFERENCE FRAME
|
|
V INV ROTATION MATRICES TRANSLATORS
|
|
1 1 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00
|
|
|
|
DIRECT LATTICE VECTORS CARTESIAN COMPONENTS (ANGSTROM)
|
|
X Y Z
|
|
0.000000000000E+00 0.111396391400E+02 0.111396391400E+02
|
|
0.111396391400E+02 0.000000000000E+00 0.111396391400E+02
|
|
0.111396391400E+02 0.111396391400E+02 0.000000000000E+00
|
|
|
|
|
|
CARTESIAN COORDINATES - PRIMITIVE CELL
|
|
*******************************************************************************
|
|
* ATOM X(ANGSTROM) Y(ANGSTROM) Z(ANGSTROM)
|
|
*******************************************************************************
|
|
1 11 NA 1.500300642333E-36 7.071067812000E-03 7.071067812000E-03
|
|
2 11 NA 1.168531234030E-33 2.784909785000E+00 2.784909785000E+00
|
|
3 11 NA 2.337062468060E-33 5.569819570000E+00 5.569819570000E+00
|
|
4 11 NA 2.442873617627E-34 8.354729355000E+00 8.354729355000E+00
|
|
5 11 NA 2.784909785000E+00 4.880196768504E-17 2.784909785000E+00
|
|
6 11 NA 2.784909785000E+00 2.784909785000E+00 5.569819570000E+00
|
|
7 11 NA 2.784909785000E+00 5.569819570000E+00 8.354729355000E+00
|
|
8 11 NA 2.784909785000E+00 8.354729355000E+00 1.113963914000E+01
|
|
9 11 NA 5.569819570000E+00 9.760393537009E-17 5.569819570000E+00
|
|
10 11 NA 5.569819570000E+00 2.784909785000E+00 8.354729355000E+00
|
|
11 11 NA 5.569819570000E+00 5.569819570000E+00 1.113963914000E+01
|
|
12 11 NA 5.569819570000E+00 8.354729355000E+00 1.392454892500E+01
|
|
13 11 NA 8.354729355000E+00 -8.187645185416E-18 8.354729355000E+00
|
|
14 11 NA 8.354729355000E+00 2.784909785000E+00 1.113963914000E+01
|
|
15 11 NA 8.354729355000E+00 5.569819570000E+00 1.392454892500E+01
|
|
16 11 NA 8.354729355000E+00 8.354729355000E+00 1.670945871000E+01
|
|
17 11 NA 2.784909785000E+00 2.784909785000E+00 0.000000000000E+00
|
|
18 11 NA 2.784909785000E+00 5.569819570000E+00 2.784909785000E+00
|
|
19 11 NA 2.784909785000E+00 8.354729355000E+00 5.569819570000E+00
|
|
20 11 NA 2.784909785000E+00 1.113963914000E+01 8.354729355000E+00
|
|
21 11 NA 5.569819570000E+00 2.784909785000E+00 2.784909785000E+00
|
|
22 11 NA 5.569819570000E+00 5.569819570000E+00 5.569819570000E+00
|
|
23 11 NA 5.569819570000E+00 8.354729355000E+00 8.354729355000E+00
|
|
24 11 NA 5.569819570000E+00 1.113963914000E+01 1.113963914000E+01
|
|
25 11 NA 8.354729355000E+00 2.784909785000E+00 5.569819570000E+00
|
|
26 11 NA 8.354729355000E+00 5.569819570000E+00 8.354729355000E+00
|
|
27 11 NA 8.354729355000E+00 8.354729355000E+00 1.113963914000E+01
|
|
28 11 NA 8.354729355000E+00 1.113963914000E+01 1.392454892500E+01
|
|
29 11 NA 1.113963914000E+01 2.784909785000E+00 8.354729355000E+00
|
|
30 11 NA 1.113963914000E+01 5.569819570000E+00 1.113963914000E+01
|
|
31 11 NA 1.113963914000E+01 8.354729355000E+00 1.392454892500E+01
|
|
32 11 NA 1.113963914000E+01 1.113963914000E+01 1.670945871000E+01
|
|
33 11 NA 5.569819570000E+00 5.569819570000E+00 0.000000000000E+00
|
|
34 11 NA 5.569819570000E+00 8.354729355000E+00 2.784909785000E+00
|
|
35 11 NA 5.569819570000E+00 1.113963914000E+01 5.569819570000E+00
|
|
36 11 NA 5.569819570000E+00 1.392454892500E+01 8.354729355000E+00
|
|
37 11 NA 8.354729355000E+00 5.569819570000E+00 2.784909785000E+00
|
|
38 11 NA 8.354729355000E+00 8.354729355000E+00 5.569819570000E+00
|
|
39 11 NA 8.354729355000E+00 1.113963914000E+01 8.354729355000E+00
|
|
40 11 NA 8.354729355000E+00 1.392454892500E+01 1.113963914000E+01
|
|
41 11 NA 1.113963914000E+01 5.569819570000E+00 5.569819570000E+00
|
|
42 11 NA 1.113963914000E+01 8.354729355000E+00 8.354729355000E+00
|
|
43 11 NA 1.113963914000E+01 1.113963914000E+01 1.113963914000E+01
|
|
44 11 NA 1.113963914000E+01 1.392454892500E+01 1.392454892500E+01
|
|
45 11 NA 1.392454892500E+01 5.569819570000E+00 8.354729355000E+00
|
|
46 11 NA 1.392454892500E+01 8.354729355000E+00 1.113963914000E+01
|
|
47 11 NA 1.392454892500E+01 1.113963914000E+01 1.392454892500E+01
|
|
48 11 NA 1.392454892500E+01 1.392454892500E+01 1.670945871000E+01
|
|
49 11 NA 8.354729355000E+00 8.354729355000E+00 0.000000000000E+00
|
|
50 11 NA 8.354729355000E+00 1.113963914000E+01 2.784909785000E+00
|
|
51 11 NA 8.354729355000E+00 1.392454892500E+01 5.569819570000E+00
|
|
52 11 NA 8.354729355000E+00 1.670945871000E+01 8.354729355000E+00
|
|
53 11 NA 1.113963914000E+01 8.354729355000E+00 2.784909785000E+00
|
|
54 11 NA 1.113963914000E+01 1.113963914000E+01 5.569819570000E+00
|
|
55 11 NA 1.113963914000E+01 1.392454892500E+01 8.354729355000E+00
|
|
56 11 NA 1.113963914000E+01 1.670945871000E+01 1.113963914000E+01
|
|
57 11 NA 1.392454892500E+01 8.354729355000E+00 5.569819570000E+00
|
|
58 11 NA 1.392454892500E+01 1.113963914000E+01 8.354729355000E+00
|
|
59 11 NA 1.392454892500E+01 1.392454892500E+01 1.113963914000E+01
|
|
60 11 NA 1.392454892500E+01 1.670945871000E+01 1.392454892500E+01
|
|
61 11 NA 1.670945871000E+01 8.354729355000E+00 8.354729355000E+00
|
|
62 11 NA 1.670945871000E+01 1.113963914000E+01 1.113963914000E+01
|
|
63 11 NA 1.670945871000E+01 1.392454892500E+01 1.392454892500E+01
|
|
64 11 NA 1.670945871000E+01 1.670945871000E+01 1.670945871000E+01
|
|
65 17 CL 2.784909785000E+00 1.113963914000E+01 1.113963914000E+01
|
|
66 17 CL 2.784909785000E+00 2.784909785000E+00 2.784909785000E+00
|
|
67 17 CL 2.784909785000E+00 5.569819570000E+00 5.569819570000E+00
|
|
68 17 CL 2.784909785000E+00 8.354729355000E+00 8.354729355000E+00
|
|
69 17 CL 5.569819570000E+00 1.113963914000E+01 1.392454892500E+01
|
|
70 17 CL 5.569819570000E+00 2.784909785000E+00 5.569819570000E+00
|
|
71 17 CL 5.569819570000E+00 5.569819570000E+00 8.354729355000E+00
|
|
72 17 CL 5.569819570000E+00 8.354729355000E+00 1.113963914000E+01
|
|
73 17 CL 8.354729355000E+00 1.113963914000E+01 1.670945871000E+01
|
|
74 17 CL 8.354729355000E+00 2.784909785000E+00 8.354729355000E+00
|
|
75 17 CL 8.354729355000E+00 5.569819570000E+00 1.113963914000E+01
|
|
76 17 CL 8.354729355000E+00 8.354729355000E+00 1.392454892500E+01
|
|
77 17 CL 1.113963914000E+01 1.113963914000E+01 1.949436849500E+01
|
|
78 17 CL 1.113963914000E+01 2.784909785000E+00 1.113963914000E+01
|
|
79 17 CL 1.113963914000E+01 5.569819570000E+00 1.392454892500E+01
|
|
80 17 CL 1.113963914000E+01 8.354729355000E+00 1.670945871000E+01
|
|
81 17 CL 5.569819570000E+00 1.392454892500E+01 1.113963914000E+01
|
|
82 17 CL 5.569819570000E+00 5.569819570000E+00 2.784909785000E+00
|
|
83 17 CL 5.569819570000E+00 8.354729355000E+00 5.569819570000E+00
|
|
84 17 CL 5.569819570000E+00 1.113963914000E+01 8.354729355000E+00
|
|
85 17 CL 8.354729355000E+00 1.392454892500E+01 1.392454892500E+01
|
|
86 17 CL 8.354729355000E+00 5.569819570000E+00 5.569819570000E+00
|
|
87 17 CL 8.354729355000E+00 8.354729355000E+00 8.354729355000E+00
|
|
88 17 CL 8.354729355000E+00 1.113963914000E+01 1.113963914000E+01
|
|
89 17 CL 1.113963914000E+01 1.392454892500E+01 1.670945871000E+01
|
|
90 17 CL 1.113963914000E+01 5.569819570000E+00 8.354729355000E+00
|
|
91 17 CL 1.113963914000E+01 8.354729355000E+00 1.113963914000E+01
|
|
92 17 CL 1.113963914000E+01 1.113963914000E+01 1.392454892500E+01
|
|
93 17 CL 1.392454892500E+01 1.392454892500E+01 1.949436849500E+01
|
|
94 17 CL 1.392454892500E+01 5.569819570000E+00 1.113963914000E+01
|
|
95 17 CL 1.392454892500E+01 8.354729355000E+00 1.392454892500E+01
|
|
96 17 CL 1.392454892500E+01 1.113963914000E+01 1.670945871000E+01
|
|
97 17 CL 8.354729355000E+00 1.670945871000E+01 1.113963914000E+01
|
|
98 17 CL 8.354729355000E+00 8.354729355000E+00 2.784909785000E+00
|
|
99 17 CL 8.354729355000E+00 1.113963914000E+01 5.569819570000E+00
|
|
100 17 CL 8.354729355000E+00 1.392454892500E+01 8.354729355000E+00
|
|
101 17 CL 1.113963914000E+01 1.670945871000E+01 1.392454892500E+01
|
|
102 17 CL 1.113963914000E+01 8.354729355000E+00 5.569819570000E+00
|
|
103 17 CL 1.113963914000E+01 1.113963914000E+01 8.354729355000E+00
|
|
104 17 CL 1.113963914000E+01 1.392454892500E+01 1.113963914000E+01
|
|
105 17 CL 1.392454892500E+01 1.670945871000E+01 1.670945871000E+01
|
|
106 17 CL 1.392454892500E+01 8.354729355000E+00 8.354729355000E+00
|
|
107 17 CL 1.392454892500E+01 1.113963914000E+01 1.113963914000E+01
|
|
108 17 CL 1.392454892500E+01 1.392454892500E+01 1.392454892500E+01
|
|
109 17 CL 1.670945871000E+01 1.670945871000E+01 1.949436849500E+01
|
|
110 17 CL 1.670945871000E+01 8.354729355000E+00 1.113963914000E+01
|
|
111 17 CL 1.670945871000E+01 1.113963914000E+01 1.392454892500E+01
|
|
112 17 CL 1.670945871000E+01 1.392454892500E+01 1.670945871000E+01
|
|
113 17 CL 1.113963914000E+01 1.949436849500E+01 1.113963914000E+01
|
|
114 17 CL 1.113963914000E+01 1.113963914000E+01 2.784909785000E+00
|
|
115 17 CL 1.113963914000E+01 1.392454892500E+01 5.569819570000E+00
|
|
116 17 CL 1.113963914000E+01 1.670945871000E+01 8.354729355000E+00
|
|
117 17 CL 1.392454892500E+01 1.949436849500E+01 1.392454892500E+01
|
|
118 17 CL 1.392454892500E+01 1.113963914000E+01 5.569819570000E+00
|
|
119 17 CL 1.392454892500E+01 1.392454892500E+01 8.354729355000E+00
|
|
120 17 CL 1.392454892500E+01 1.670945871000E+01 1.113963914000E+01
|
|
121 17 CL 1.670945871000E+01 1.949436849500E+01 1.670945871000E+01
|
|
122 17 CL 1.670945871000E+01 1.113963914000E+01 8.354729355000E+00
|
|
123 17 CL 1.670945871000E+01 1.392454892500E+01 1.113963914000E+01
|
|
124 17 CL 1.670945871000E+01 1.670945871000E+01 1.392454892500E+01
|
|
125 17 CL 1.949436849500E+01 1.949436849500E+01 1.949436849500E+01
|
|
126 17 CL 1.949436849500E+01 1.113963914000E+01 1.113963914000E+01
|
|
127 17 CL 1.949436849500E+01 1.392454892500E+01 1.392454892500E+01
|
|
128 17 CL 1.949436849500E+01 1.670945871000E+01 1.670945871000E+01
|
|
|
|
*******************************************************************************
|
|
LOCAL ATOMIC FUNCTIONS BASIS SET
|
|
*******************************************************************************
|
|
ATOM X(AU) Y(AU) Z(AU) N. TYPE EXPONENT S COEF P COEF D/F/G COEF
|
|
*******************************************************************************
|
|
1 NA 0.000 0.013 0.013
|
|
1 S
|
|
4.098E+03-5.854E-03 0.000E+00 0.000E+00
|
|
6.165E+02-4.365E-02 0.000E+00 0.000E+00
|
|
1.400E+02-1.943E-01 0.000E+00 0.000E+00
|
|
3.907E+01-4.869E-01 0.000E+00 0.000E+00
|
|
1.193E+01-4.188E-01 0.000E+00 0.000E+00
|
|
2 S
|
|
2.066E+01 8.595E-02 0.000E+00 0.000E+00
|
|
1.984E+00-5.636E-01 0.000E+00 0.000E+00
|
|
6.484E-01-5.195E-01 0.000E+00 0.000E+00
|
|
3 S
|
|
3.200E-01 1.000E+00 0.000E+00 0.000E+00
|
|
4- 7 SP
|
|
1.600E-01 1.000E+00 1.000E+00 0.000E+00
|
|
8- 10 P
|
|
7.540E+01 0.000E+00 1.544E-02 0.000E+00
|
|
1.727E+01 0.000E+00 9.974E-02 0.000E+00
|
|
5.184E+00 0.000E+00 3.121E-01 0.000E+00
|
|
1.660E+00 0.000E+00 4.930E-01 0.000E+00
|
|
5.123E-01 0.000E+00 3.242E-01 0.000E+00
|
|
2 NA 0.000 5.263 5.263
|
|
3 NA 0.000 10.525 10.525
|
|
4 NA 0.000 15.788 15.788
|
|
5 NA 5.263 0.000 5.263
|
|
6 NA 5.263 5.263 10.525
|
|
7 NA 5.263 10.525 15.788
|
|
8 NA 5.263 15.788 21.051
|
|
9 NA 10.525 0.000 10.525
|
|
10 NA 10.525 5.263 15.788
|
|
11 NA 10.525 10.525 21.051
|
|
12 NA 10.525 15.788 26.314
|
|
13 NA 15.788 -0.000 15.788
|
|
14 NA 15.788 5.263 21.051
|
|
15 NA 15.788 10.525 26.314
|
|
16 NA 15.788 15.788 31.576
|
|
17 NA 5.263 5.263 0.000
|
|
18 NA 5.263 10.525 5.263
|
|
19 NA 5.263 15.788 10.525
|
|
20 NA 5.263 21.051 15.788
|
|
21 NA 10.525 5.263 5.263
|
|
22 NA 10.525 10.525 10.525
|
|
23 NA 10.525 15.788 15.788
|
|
24 NA 10.525 21.051 21.051
|
|
25 NA 15.788 5.263 10.525
|
|
26 NA 15.788 10.525 15.788
|
|
27 NA 15.788 15.788 21.051
|
|
28 NA 15.788 21.051 26.314
|
|
29 NA 21.051 5.263 15.788
|
|
30 NA 21.051 10.525 21.051
|
|
31 NA 21.051 15.788 26.314
|
|
32 NA 21.051 21.051 31.576
|
|
33 NA 10.525 10.525 0.000
|
|
34 NA 10.525 15.788 5.263
|
|
35 NA 10.525 21.051 10.525
|
|
36 NA 10.525 26.314 15.788
|
|
37 NA 15.788 10.525 5.263
|
|
38 NA 15.788 15.788 10.525
|
|
39 NA 15.788 21.051 15.788
|
|
40 NA 15.788 26.314 21.051
|
|
41 NA 21.051 10.525 10.525
|
|
42 NA 21.051 15.788 15.788
|
|
43 NA 21.051 21.051 21.051
|
|
44 NA 21.051 26.314 26.314
|
|
45 NA 26.314 10.525 15.788
|
|
46 NA 26.314 15.788 21.051
|
|
47 NA 26.314 21.051 26.314
|
|
48 NA 26.314 26.314 31.576
|
|
49 NA 15.788 15.788 0.000
|
|
50 NA 15.788 21.051 5.263
|
|
51 NA 15.788 26.314 10.525
|
|
52 NA 15.788 31.576 15.788
|
|
53 NA 21.051 15.788 5.263
|
|
54 NA 21.051 21.051 10.525
|
|
55 NA 21.051 26.314 15.788
|
|
56 NA 21.051 31.576 21.051
|
|
57 NA 26.314 15.788 10.525
|
|
58 NA 26.314 21.051 15.788
|
|
59 NA 26.314 26.314 21.051
|
|
60 NA 26.314 31.576 26.314
|
|
61 NA 31.576 15.788 15.788
|
|
62 NA 31.576 21.051 21.051
|
|
63 NA 31.576 26.314 26.314
|
|
64 NA 31.576 31.576 31.576
|
|
65 CL 5.263 21.051 21.051
|
|
641 S
|
|
1.045E+04 1.971E-03 0.000E+00 0.000E+00
|
|
1.572E+03 1.475E-02 0.000E+00 0.000E+00
|
|
3.571E+02 6.668E-02 0.000E+00 0.000E+00
|
|
1.003E+02 1.723E-01 0.000E+00 0.000E+00
|
|
3.081E+01 1.588E-01 0.000E+00 0.000E+00
|
|
642 S
|
|
5.192E+01-1.001E-01 0.000E+00 0.000E+00
|
|
5.705E+00 6.084E-01 0.000E+00 0.000E+00
|
|
2.351E+00 5.435E-01 0.000E+00 0.000E+00
|
|
643 S
|
|
4.973E-01 1.000E+00 0.000E+00 0.000E+00
|
|
644- 647 SP
|
|
2.100E-01 1.000E+00 1.000E+00 0.000E+00
|
|
648- 650 P
|
|
3.077E+02 0.000E+00-8.780E-03 0.000E+00
|
|
7.210E+01 0.000E+00-6.356E-02 0.000E+00
|
|
2.253E+01 0.000E+00-2.402E-01 0.000E+00
|
|
7.899E+00 0.000E+00-4.780E-01 0.000E+00
|
|
2.877E+00 0.000E+00-3.852E-01 0.000E+00
|
|
651- 653 P
|
|
7.736E-01 0.000E+00 1.000E+00 0.000E+00
|
|
654- 658 D
|
|
6.500E-01 0.000E+00 0.000E+00 1.000E+00
|
|
66 CL 5.263 5.263 5.263
|
|
67 CL 5.263 10.525 10.525
|
|
68 CL 5.263 15.788 15.788
|
|
69 CL 10.525 21.051 26.314
|
|
70 CL 10.525 5.263 10.525
|
|
71 CL 10.525 10.525 15.788
|
|
72 CL 10.525 15.788 21.051
|
|
73 CL 15.788 21.051 31.576
|
|
74 CL 15.788 5.263 15.788
|
|
75 CL 15.788 10.525 21.051
|
|
76 CL 15.788 15.788 26.314
|
|
77 CL 21.051 21.051 36.839
|
|
78 CL 21.051 5.263 21.051
|
|
79 CL 21.051 10.525 26.314
|
|
80 CL 21.051 15.788 31.576
|
|
81 CL 10.525 26.314 21.051
|
|
82 CL 10.525 10.525 5.263
|
|
83 CL 10.525 15.788 10.525
|
|
84 CL 10.525 21.051 15.788
|
|
85 CL 15.788 26.314 26.314
|
|
86 CL 15.788 10.525 10.525
|
|
87 CL 15.788 15.788 15.788
|
|
88 CL 15.788 21.051 21.051
|
|
89 CL 21.051 26.314 31.576
|
|
90 CL 21.051 10.525 15.788
|
|
91 CL 21.051 15.788 21.051
|
|
92 CL 21.051 21.051 26.314
|
|
93 CL 26.314 26.314 36.839
|
|
94 CL 26.314 10.525 21.051
|
|
95 CL 26.314 15.788 26.314
|
|
96 CL 26.314 21.051 31.576
|
|
97 CL 15.788 31.576 21.051
|
|
98 CL 15.788 15.788 5.263
|
|
99 CL 15.788 21.051 10.525
|
|
100 CL 15.788 26.314 15.788
|
|
101 CL 21.051 31.576 26.314
|
|
102 CL 21.051 15.788 10.525
|
|
103 CL 21.051 21.051 15.788
|
|
104 CL 21.051 26.314 21.051
|
|
105 CL 26.314 31.576 31.576
|
|
106 CL 26.314 15.788 15.788
|
|
107 CL 26.314 21.051 21.051
|
|
108 CL 26.314 26.314 26.314
|
|
109 CL 31.576 31.576 36.839
|
|
110 CL 31.576 15.788 21.051
|
|
111 CL 31.576 21.051 26.314
|
|
112 CL 31.576 26.314 31.576
|
|
113 CL 21.051 36.839 21.051
|
|
114 CL 21.051 21.051 5.263
|
|
115 CL 21.051 26.314 10.525
|
|
116 CL 21.051 31.576 15.788
|
|
117 CL 26.314 36.839 26.314
|
|
118 CL 26.314 21.051 10.525
|
|
119 CL 26.314 26.314 15.788
|
|
120 CL 26.314 31.576 21.051
|
|
121 CL 31.576 36.839 31.576
|
|
122 CL 31.576 21.051 15.788
|
|
123 CL 31.576 26.314 21.051
|
|
124 CL 31.576 31.576 26.314
|
|
125 CL 36.839 36.839 36.839
|
|
126 CL 36.839 21.051 21.051
|
|
127 CL 36.839 26.314 26.314
|
|
128 CL 36.839 31.576 31.576
|
|
INFORMATION **** SET_MPP **** MPP CRYSTAL CALCULATION
|
|
INFORMATION **** SET_MPP **** MPP DISABLES SYMADAPT
|
|
INFORMATION **** SET_MPP **** LOW MEMORY OPTION ACTIVE
|
|
INFORMATION **** SET_MPP **** USING A DISTRIBUTED DFT GRID
|
|
INFORMATION **** SET_MPP **** USING DIVIDE AND CONQUER DIAGONALIZATION
|
|
INFORMATION **** READM2 **** NEW DEFAULT: FOCK/KS MATRIX MIXING SET TO 30 %
|
|
INFORMATION **** READM2 **** NEW DEFAULT: FULL DIRECT SCF MODE
|
|
INFORMATION **** READM2 **** NEW DEFAULT: COULOMB BIPOLAR BUFFER SET TO 32 Mb
|
|
INFORMATION **** READM2 **** NEW DEFAULT: EXCHANGE BIPOLAR BUFFER SET TO 32 Mb
|
|
|
|
*******************************************************************************
|
|
NEW DEFAULT: DFT INTEGRATION GRID INCREASED TO XLGRID
|
|
NEW DEFAULT: DIIS ACCELERATOR ACTIVE
|
|
USE KEYWORD NODIIS TO TURN IT OFF
|
|
*******************************************************************************
|
|
|
|
INFORMATION **** TOLINTEG **** COULOMB AND EXCHANGE SERIES TOLERANCES MODIFIED
|
|
INFORMATION **** MAXCYCLE **** MAX NUMBER OF SCF CYCLES SET TO 60
|
|
INFORMATION **** EXCHSIZE **** EXCHANGE BIPOLAR BUFFER SIZE SET TO 30000000
|
|
INFORMATION **** BIPOSIZE **** COULOMB BIPOLAR BUFFER SET TO 30000000
|
|
INFORMATION **** TOLDEE **** SCF TOL ON TOTAL ENERGY SET TO 10
|
|
INFORMATION **** GRADCAL **** ANALYTICAL GRADIENT AFTER SCF COMPLETED
|
|
INFORMATION **** READM2 **** MPP option selected
|
|
INFORMATION **** READM2 **** MPP option defaults to DIRECT and MONDIR
|
|
INFORMATION **** READM2 **** MPP option disables symmetry adaption of the Bloch functions
|
|
INFORMATION **** READM2 **** USING A DISTRIBUTED DFT GRID
|
|
INFORMATION **** READM2 **** USING DIVIDE AND CONQUER DIAGONALIZATION
|
|
*******************************************************************************
|
|
N. OF ATOMS PER CELL 128 COULOMB OVERLAP TOL (T1) 10** -8
|
|
NUMBER OF SHELLS 768 COULOMB PENETRATION TOL (T2) 10** -8
|
|
NUMBER OF AO 1792 EXCHANGE OVERLAP TOL (T3) 10** -8
|
|
N. OF ELECTRONS PER CELL 1792 EXCHANGE PSEUDO OVP (F(G)) (T4) 10** -8
|
|
CORE ELECTRONS PER CELL 1280 EXCHANGE PSEUDO OVP (P(G)) (T5) 10** -16
|
|
N. OF SYMMETRY OPERATORS 1 POLE ORDER IN MONO ZONE 4
|
|
*******************************************************************************
|
|
TYPE OF CALCULATION : RESTRICTED CLOSED SHELL
|
|
KOHN-SHAM HAMILTONIAN
|
|
|
|
(EXCHANGE)[CORRELATION] FUNCTIONAL:(PERDEW-BURKE-ERNZERHOF)[PERDEW-BURKE-ERNZERHOF]
|
|
|
|
|
|
HYBRID EXCHANGE - PERCENTAGE OF FOCK EXCHANGE 25.0000
|
|
|
|
CAPPA:IS1 1;IS2 1;IS3 1; K PTS MONK NET 1; SYMMOPS:K SPACE 2;G SPACE 1
|
|
|
|
*******************************************************************************
|
|
MAX NUMBER OF SCF CYCLES 60 CONVERGENCE ON DELTAP 10**-20
|
|
WEIGHT OF F(I) IN F(I+1) 80% CONVERGENCE ON ENERGY 10**-10
|
|
SHRINK. FACT.(MONKH.) 1 1 1 NUMBER OF K POINTS IN THE IBZ 1
|
|
SHRINKING FACTOR(GILAT NET) 1 NUMBER OF K POINTS(GILAT NET) 1
|
|
*******************************************************************************
|
|
*** K POINTS COORDINATES (OBLIQUE COORDINATES IN UNITS OF IS = 1)
|
|
1-R( 0 0 0)
|
|
|
|
DIRECT LATTICE VECTORS COMPON. (A.U.) RECIP. LATTICE VECTORS COMPON. (A.U.)
|
|
X Y Z X Y Z
|
|
0.0000000 21.0508672 21.0508672 -0.1492382 0.1492382 0.1492382
|
|
21.0508672 0.0000000 21.0508672 0.1492382 -0.1492382 0.1492382
|
|
21.0508672 21.0508672 0.0000000 0.1492382 0.1492382 -0.1492382
|
|
|
|
DISK SPACE FOR EIGENVECTORS (FTN 10) 3211264 REALS
|
|
|
|
SYMMETRY ADAPTION OF THE BLOCH FUNCTIONS DISABLED
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT gordsh1 TELAPSE 0.94 TCPU 0.20
|
|
|
|
MATRIX SIZE: P(G) 1937792, F(G) 357440, P(G) IRR 971776, F(G) IRR 359424
|
|
MAX G-VECTOR INDEX FOR 1- AND 2-ELECTRON INTEGRALS 83
|
|
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT INPUT TELAPSE 1.17 TCPU 0.43
|
|
|
|
NEIGHBORS OF THE NON-EQUIVALENT ATOMS
|
|
|
|
N = NUMBER OF NEIGHBORS AT DISTANCE R
|
|
ATOM N R/ANG R/AU NEIGHBORS (ATOM LABELS AND CELL INDICES)
|
|
1 NA 2 2.7778 5.2494 78 CL 0-1 0 114 CL 0 0-1
|
|
1 NA 2 2.7849 5.2628 65 CL -1 0 0 126 CL 0-1-1
|
|
1 NA 2 2.7920 5.2761 77 CL -1-1 0 113 CL -1 0-1
|
|
1 NA 1 3.9285 7.4237 2 NA 0 0 0
|
|
1 NA 4 3.9335 7.4332 5 NA 0 0 0 14 NA 0-1 0 17 NA 0 0 0
|
|
50 NA 0 0-1
|
|
1 NA 2 3.9385 7.4426 29 NA 0-1 0 53 NA 0 0-1
|
|
|
|
2 NA 6 2.7849 5.2627 66 CL 0 0 0 78 CL 0-1 0 79 CL 0-1 0
|
|
114 CL 0 0-1 115 CL 0 0-1 127 CL 0-1-1
|
|
2 NA 1 3.9285 7.4237 1 NA 0 0 0
|
|
2 NA 11 3.9385 7.4426 3 NA 0 0 0 5 NA 0 0 0 6 NA 0 0 0
|
|
14 NA 0-1 0 15 NA 0-1 0 17 NA 0 0 0
|
|
18 NA 0 0 0 30 NA 0-1 0 50 NA 0 0-1
|
|
51 NA 0 0-1 54 NA 0 0-1
|
|
2 NA 8 4.8236 9.1153 65 CL -1 0 0 67 CL 0 0 0 75 CL 0-1 0
|
|
94 CL 0-1 0 99 CL 0 0-1 118 CL 0 0-1
|
|
126 CL 0-1-1 128 CL 0-1-1
|
|
2 NA 6 5.5698 10.5254 21 NA 0 0 0 29 NA 0-1 0 31 NA 0-1 0
|
|
53 NA 0 0-1 55 NA 0 0-1 63 NA 0-1-1
|
|
2 NA 24 6.2272 11.7678 69 CL -1 0 0 70 CL 0 0 0 74 CL 0-1 0
|
|
76 CL 0-1 0 77 CL -1-1 0 80 CL 0-1 0
|
|
81 CL -1 0 0 82 CL 0 0 0 90 CL 0-1 0
|
|
91 CL 0-1 0 93 CL -1-1 0 95 CL 0-1 0
|
|
98 CL 0 0-1 100 CL 0 0-1 102 CL 0 0-1
|
|
103 CL 0 0-1 111 CL 0-1-1 112 CL 0-1-1
|
|
113 CL -1 0-1 116 CL 0 0-1 117 CL -1 0-1
|
|
119 CL 0 0-1 123 CL 0-1-1 124 CL 0-1-1
|
|
|
|
3 NA 6 2.7849 5.2627 67 CL 0 0 0 79 CL 0-1 0 80 CL 0-1 0
|
|
115 CL 0 0-1 116 CL 0 0-1 128 CL 0-1-1
|
|
3 NA 12 3.9385 7.4426 2 NA 0 0 0 4 NA 0 0 0 6 NA 0 0 0
|
|
7 NA 0 0 0 15 NA 0-1 0 16 NA 0-1 0
|
|
18 NA 0 0 0 19 NA 0 0 0 31 NA 0-1 0
|
|
51 NA 0 0-1 52 NA 0 0-1 55 NA 0 0-1
|
|
3 NA 8 4.8236 9.1153 66 CL 0 0 0 68 CL 0 0 0 76 CL 0-1 0
|
|
95 CL 0-1 0 100 CL 0 0-1 119 CL 0 0-1
|
|
125 CL 0-1-1 127 CL 0-1-1
|
|
3 NA 6 5.5698 10.5254 22 NA 0 0 0 30 NA 0-1 0 32 NA 0-1 0
|
|
54 NA 0 0-1 56 NA 0 0-1 64 NA 0-1-1
|
|
3 NA 24 6.2272 11.7678 70 CL 0 0 0 71 CL 0 0 0 73 CL 0-1 0
|
|
75 CL 0-1 0 77 CL 0-1 0 78 CL 0-1 0
|
|
82 CL 0 0 0 83 CL 0 0 0 91 CL 0-1 0
|
|
92 CL 0-1 0 94 CL 0-1 0 96 CL 0-1 0
|
|
97 CL 0 0-1 99 CL 0 0-1 103 CL 0 0-1
|
|
104 CL 0 0-1 109 CL 0-1-1 112 CL 0-1-1
|
|
113 CL 0 0-1 114 CL 0 0-1 118 CL 0 0-1
|
|
120 CL 0 0-1 121 CL 0-1-1 124 CL 0-1-1
|
|
3 NA 24 6.8216 12.8910 5 NA 0 0 0 8 NA 0 0 0 10 NA 0 0 0
|
|
12 NA 0-1 0 13 NA 1-1 0 14 NA 0-1 0
|
|
17 NA 0 0 0 20 NA 0 0 0 21 NA 0 0 0
|
|
23 NA 0 0 0 27 NA 0-1 0 28 NA 0-1 0
|
|
34 NA 0 0 0 36 NA 0 0-1 39 NA 0 0-1
|
|
40 NA 0 0-1 46 NA 0-1 0 47 NA 0-1 0
|
|
49 NA 1 0-1 50 NA 0 0-1 58 NA 0 0-1
|
|
59 NA 0 0-1 61 NA 1-1-1 63 NA 0-1-1
|
|
|
|
4 NA 6 2.7849 5.2627 68 CL 0 0 0 77 CL 0-1 0 80 CL 0-1 0
|
|
113 CL 0 0-1 116 CL 0 0-1 125 CL 0-1-1
|
|
4 NA 11 3.9385 7.4426 3 NA 0 0 0 7 NA 0 0 0 8 NA 0 0 0
|
|
13 NA 1-1 0 16 NA 0-1 0 19 NA 0 0 0
|
|
20 NA 0 0 0 32 NA 0-1 0 49 NA 1 0-1
|
|
52 NA 0 0-1 56 NA 0 0-1
|
|
4 NA 1 3.9485 7.4615 1 NA 1 0 0
|
|
4 NA 8 4.8236 9.1153 65 CL 0 0 0 67 CL 0 0 0 73 CL 0-1 0
|
|
96 CL 0-1 0 97 CL 0 0-1 120 CL 0 0-1
|
|
126 CL 1-1-1 128 CL 0-1-1
|
|
4 NA 6 5.5698 10.5254 23 NA 0 0 0 29 NA 1-1 0 31 NA 0-1 0
|
|
53 NA 1 0-1 55 NA 0 0-1 61 NA 1-1-1
|
|
4 NA 24 6.2272 11.7678 71 CL 0 0 0 72 CL 0 0 0 74 CL 1-1 0
|
|
76 CL 0-1 0 78 CL 1-1 0 79 CL 0-1 0
|
|
83 CL 0 0 0 84 CL 0 0 0 89 CL 0-1 0
|
|
92 CL 0-1 0 93 CL 0-1 0 95 CL 0-1 0
|
|
98 CL 1 0-1 100 CL 0 0-1 101 CL 0 0-1
|
|
104 CL 0 0-1 109 CL 0-1-1 110 CL 1-1-1
|
|
114 CL 1 0-1 115 CL 0 0-1 117 CL 0 0-1
|
|
119 CL 0 0-1 121 CL 0-1-1 122 CL 1-1-1
|
|
|
|
5 NA 6 2.7849 5.2627 65 CL -1 0 0 66 CL 0 0 0 69 CL -1 0 0
|
|
114 CL 0 0-1 117 CL -1 0-1 118 CL 0 0-1
|
|
5 NA 1 3.9335 7.4332 1 NA 0 0 0
|
|
5 NA 11 3.9385 7.4426 2 NA 0 0 0 6 NA 0 0 0 8 NA -1 0 0
|
|
9 NA 0 0 0 12 NA -1 0 0 17 NA 0 0 0
|
|
21 NA 0 0 0 24 NA -1 0 0 53 NA 0 0-1
|
|
54 NA 0 0-1 57 NA 0 0-1
|
|
5 NA 8 4.8236 9.1153 70 CL 0 0 0 72 CL -1 0 0 78 CL 0-1 0
|
|
81 CL -1 0 0 102 CL 0 0-1 113 CL -1 0-1
|
|
115 CL 0 0-1 121 CL -1 0-1
|
|
5 NA 6 5.5698 10.5254 18 NA 0 0 0 20 NA -1 0 0 28 NA -1 0 0
|
|
50 NA 0 0-1 58 NA 0 0-1 60 NA -1 0-1
|
|
5 NA 24 6.2272 11.7678 67 CL 0 0 0 68 CL -1 0 0 73 CL -1 0 0
|
|
76 CL -1 0 0 77 CL -1-1 0 79 CL 0-1 0
|
|
82 CL 0 0 0 84 CL -1 0 0 85 CL -1 0 0
|
|
88 CL -1 0 0 93 CL -1-1 0 94 CL 0-1 0
|
|
98 CL 0 0-1 99 CL 0 0-1 101 CL -1 0-1
|
|
103 CL 0 0-1 105 CL -1 0-1 106 CL 0 0-1
|
|
119 CL 0 0-1 120 CL -1 0-1 122 CL 0 0-1
|
|
124 CL -1 0-1 126 CL 0-1-1 127 CL 0-1-1
|
|
|
|
6 NA 6 2.7849 5.2627 66 CL 0 0 0 67 CL 0 0 0 70 CL 0 0 0
|
|
115 CL 0 0-1 118 CL 0 0-1 119 CL 0 0-1
|
|
6 NA 12 3.9385 7.4426 2 NA 0 0 0 3 NA 0 0 0 5 NA 0 0 0
|
|
7 NA 0 0 0 9 NA 0 0 0 10 NA 0 0 0
|
|
18 NA 0 0 0 21 NA 0 0 0 22 NA 0 0 0
|
|
54 NA 0 0-1 55 NA 0 0-1 58 NA 0 0-1
|
|
6 NA 8 4.8236 9.1153 69 CL -1 0 0 71 CL 0 0 0 79 CL 0-1 0
|
|
82 CL 0 0 0 103 CL 0 0-1 114 CL 0 0-1
|
|
116 CL 0 0-1 122 CL 0 0-1
|
|
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82 CL 0 0 0 84 CL 0 0 0 92 CL 0-1 0
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111 CL 0-1 0 116 CL 0 0-1
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86 CL 0 0 0 87 CL 0 0 0 89 CL 0-1 0
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91 CL 0-1 0 93 CL 0-1 0 94 CL 0-1 0
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108 CL 0-1 0 110 CL 0-1 0 112 CL 0-1 0
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113 CL 0 0-1 115 CL 0 0-1 119 CL 0 0-1
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120 CL 0 0-1 125 CL 0-1-1 128 CL 0-1-1
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24 NA 0 0 0 26 NA 0 0 0 28 NA 0-1 0
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84 CL 0 0 0 93 CL 0-1 0 96 CL 0-1 0
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20 NA 11 3.9385 7.4426 4 NA 0 0 0 8 NA 0 0 0 17 NA 1 0 0
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81 CL 0 0 0 83 CL 0 0 0 89 CL 0-1 0
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112 CL 0-1 0 113 CL 0 0-1
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71 CL 0 0 0 73 CL 0-1 0 74 CL 1-1 0
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87 CL 0 0 0 88 CL 0 0 0 90 CL 1-1 0
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92 CL 0-1 0 94 CL 1-1 0 95 CL 0-1 0
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99 CL 0 0 0 100 CL 0 0 0 105 CL 0-1 0
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108 CL 0-1 0 109 CL 0-1 0 111 CL 0-1 0
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114 CL 1 0-1 116 CL 0 0-1 117 CL 0 0-1
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120 CL 0 0-1 125 CL 0-1-1 126 CL 1-1-1
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81 CL -1 0 0 82 CL 0 0 0 85 CL -1 0 0
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17 NA 0 0 0 18 NA 0 0 0 22 NA 0 0 0
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21 NA 8 4.8236 9.1153 65 CL -1 0 0 67 CL 0 0 0 73 CL -1 0 0
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86 CL 0 0 0 88 CL -1 0 0 94 CL 0-1 0
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76 CL -1 0 0 78 CL 0-1 0 79 CL 0-1 0
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83 CL 0 0 0 84 CL -1 0 0 89 CL -1 0 0
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92 CL -1 0 0 93 CL -1-1 0 95 CL 0-1 0
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98 CL 0 0 0 100 CL -1 0 0 101 CL -1 0 0
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104 CL -1 0 0 109 CL -1-1 0 110 CL 0-1 0
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114 CL 0 0-1 115 CL 0 0-1 117 CL -1 0-1
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119 CL 0 0-1 121 CL -1 0-1 122 CL 0 0-1
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22 NA 6 2.7849 5.2627 67 CL 0 0 0 70 CL 0 0 0 71 CL 0 0 0
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82 CL 0 0 0 83 CL 0 0 0 86 CL 0 0 0
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22 NA 12 3.9385 7.4426 6 NA 0 0 0 7 NA 0 0 0 10 NA 0 0 0
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18 NA 0 0 0 19 NA 0 0 0 21 NA 0 0 0
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22 NA 8 4.8236 9.1153 66 CL 0 0 0 68 CL 0 0 0 74 CL 0 0 0
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85 CL -1 0 0 87 CL 0 0 0 95 CL 0-1 0
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98 CL 0 0 0 119 CL 0 0-1
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22 NA 6 5.5698 10.5254 3 NA 0 0 0 9 NA 0 0 0 11 NA 0 0 0
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22 NA 24 6.2272 11.7678 69 CL -1 0 0 72 CL 0 0 0 73 CL -1 0 0
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81 CL -1 0 0 84 CL 0 0 0 89 CL -1 0 0
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90 CL 0 0 0 94 CL 0-1 0 96 CL 0-1 0
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97 CL -1 0 0 99 CL 0 0 0 101 CL -1 0 0
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102 CL 0 0 0 110 CL 0-1 0 111 CL 0-1 0
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115 CL 0 0-1 116 CL 0 0-1 118 CL 0 0-1
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120 CL 0 0-1 122 CL 0 0-1 123 CL 0 0-1
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8 NA 0 0 0 13 NA 0 0 0 14 NA 0 0 0
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39 NA 0 0 0 40 NA -1 0 0 42 NA 0 0 0
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23 NA 6 2.7849 5.2627 68 CL 0 0 0 71 CL 0 0 0 72 CL 0 0 0
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83 CL 0 0 0 84 CL 0 0 0 87 CL 0 0 0
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19 NA 0 0 0 20 NA 0 0 0 22 NA 0 0 0
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86 CL 0 0 0 88 CL 0 0 0 96 CL 0-1 0
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99 CL 0 0 0 120 CL 0 0-1
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81 CL 0 0 0 82 CL 0 0 0 90 CL 0 0 0
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91 CL 0 0 0 93 CL 0-1 0 95 CL 0-1 0
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98 CL 0 0 0 100 CL 0 0 0 102 CL 0 0 0
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103 CL 0 0 0 111 CL 0-1 0 112 CL 0-1 0
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113 CL 0 0-1 116 CL 0 0-1 117 CL 0 0-1
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119 CL 0 0-1 123 CL 0 0-1 124 CL 0 0-1
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14 NA 0 0 0 15 NA 0 0 0 17 NA 1 0 0
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18 NA 0 0 0 25 NA 0 0 0 28 NA 0 0 0
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40 NA 0 0 0 41 NA 0 0 0 43 NA 0 0 0
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47 NA 0-1 0 48 NA 0-1 0 50 NA 0 0 0
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59 NA 0 0-1 60 NA 0 0-1
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24 NA 6 2.7849 5.2627 65 CL 0 0 0 69 CL 0 0 0 72 CL 0 0 0
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81 CL 0 0 0 84 CL 0 0 0 88 CL 0 0 0
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24 NA 12 3.9385 7.4426 5 NA 1 0 0 8 NA 0 0 0 12 NA 0 0 0
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17 NA 1 0 0 20 NA 0 0 0 21 NA 1 0 0
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36 NA 0 0 0 39 NA 0 0 0 40 NA 0 0 0
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24 NA 8 4.8236 9.1153 66 CL 1 0 0 68 CL 0 0 0 76 CL 0 0 0
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85 CL 0 0 0 87 CL 0 0 0 93 CL 0-1 0
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100 CL 0 0 0 117 CL 0 0-1
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24 NA 5 5.5698 10.5254 9 NA 1 0 0 11 NA 0 0 0 33 NA 1 0 0
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35 NA 0 0 0 43 NA 0 0 0
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24 NA 24 6.2272 11.7678 70 CL 1 0 0 71 CL 0 0 0 73 CL 0 0 0
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75 CL 0 0 0 77 CL 0-1 0 78 CL 1-1 0
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82 CL 1 0 0 83 CL 0 0 0 91 CL 0 0 0
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92 CL 0 0 0 94 CL 1-1 0 96 CL 0-1 0
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97 CL 0 0 0 99 CL 0 0 0 103 CL 0 0 0
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104 CL 0 0 0 109 CL 0-1 0 112 CL 0-1 0
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113 CL 0 0-1 114 CL 1 0-1 118 CL 1 0-1
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120 CL 0 0-1 121 CL 0 0-1 124 CL 0 0-1
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25 NA 6 2.7849 5.2627 70 CL 0 0 0 73 CL -1 0 0 74 CL 0 0 0
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85 CL -1 0 0 86 CL 0 0 0 89 CL -1 0 0
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21 NA 0 0 0 22 NA 0 0 0 26 NA 0 0 0
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28 NA -1 0 0 29 NA 0 0 0 32 NA -1 0 0
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25 NA 8 4.8236 9.1153 69 CL -1 0 0 71 CL 0 0 0 77 CL -1 0 0
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82 CL 0 0 0 90 CL 0 0 0 92 CL -1 0 0
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101 CL -1 0 0 122 CL 0 0-1
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25 NA 24 6.2272 11.7678 66 CL 0 0 0 67 CL 0 0 0 75 CL 0 0 0
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81 CL -1 0 0 83 CL 0 0 0 87 CL 0 0 0
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88 CL -1 0 0 93 CL -1 0 0 96 CL -1 0 0
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97 CL -1 0 0 98 CL 0 0 0 102 CL 0 0 0
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104 CL -1 0 0 105 CL -1 0 0 108 CL -1 0 0
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118 CL 0 0-1 119 CL 0 0-1 121 CL -1 0-1
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123 CL 0 0-1 125 CL -1 0-1 126 CL 0 0-1
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86 CL 0 0 0 87 CL 0 0 0 90 CL 0 0 0
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22 NA 0 0 0 23 NA 0 0 0 25 NA 0 0 0
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102 CL 0 0 0 123 CL 0 0-1
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76 CL 0 0 0 77 CL -1 0 0 79 CL 0 0 0
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82 CL 0 0 0 84 CL 0 0 0 85 CL -1 0 0
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88 CL 0 0 0 93 CL -1 0 0 94 CL 0 0 0
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103 CL 0 0 0 105 CL -1 0 0 106 CL 0 0 0
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119 CL 0 0-1 120 CL 0 0-1 122 CL 0 0-1
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124 CL 0 0-1 126 CL 0 0-1 127 CL 0 0-1
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87 CL 0 0 0 88 CL 0 0 0 91 CL 0 0 0
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81 CL 0 0 0 83 CL 0 0 0 85 CL 0 0 0
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86 CL 0 0 0 94 CL 0 0 0 95 CL 0 0 0
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117 CL 0 0-1 120 CL 0 0-1 121 CL 0 0-1
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123 CL 0 0-1 127 CL 0 0-1 128 CL 0 0-1
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81 CL 0 0 0 89 CL 0 0 0 91 CL 0 0 0
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104 CL 0 0 0 121 CL 0 0-1
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82 CL 1 0 0 84 CL 0 0 0 86 CL 1 0 0
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87 CL 0 0 0 95 CL 0 0 0 96 CL 0 0 0
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97 CL 0 0 0 100 CL 0 0 0 101 CL 0 0 0
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103 CL 0 0 0 107 CL 0 0 0 108 CL 0 0 0
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117 CL 0 0-1 118 CL 1 0-1 122 CL 1 0-1
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124 CL 0 0-1 125 CL 0 0-1 128 CL 0 0-1
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105 CL -1 0 0 126 CL 0 0-1
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81 CL -1 1 0 84 CL -1 1 0 85 CL -1 0 0
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87 CL 0 0 0 91 CL 0 0 0 92 CL -1 0 0
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101 CL -1 0 0 102 CL 0 0 0 106 CL 0 0 0
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108 CL -1 0 0 109 CL -1 0 0 112 CL -1 0 0
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113 CL -1 1-1 114 CL 0 1-1 122 CL 0 0-1
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123 CL 0 0-1 125 CL -1 0-1 127 CL 0 0-1
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90 CL 0 0 0 91 CL 0 0 0 94 CL 0 0 0
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17 NA 0 1 0 18 NA 0 1 0 26 NA 0 0 0
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87 CL 0 0 0 93 CL -1 0 0 95 CL 0 0 0
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106 CL 0 0 0 127 CL 0 0-1
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81 CL -1 1 0 82 CL 0 1 0 86 CL 0 0 0
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88 CL 0 0 0 89 CL -1 0 0 92 CL 0 0 0
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102 CL 0 0 0 103 CL 0 0 0 105 CL -1 0 0
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107 CL 0 0 0 109 CL -1 0 0 110 CL 0 0 0
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114 CL 0 1-1 115 CL 0 1-1 123 CL 0 0-1
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124 CL 0 0-1 126 CL 0 0-1 128 CL 0 0-1
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91 CL 0 0 0 92 CL 0 0 0 95 CL 0 0 0
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18 NA 0 1 0 19 NA 0 1 0 27 NA 0 0 0
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88 CL 0 0 0 94 CL 0 0 0 96 CL 0 0 0
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107 CL 0 0 0 128 CL 0 0-1
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82 CL 0 1 0 83 CL 0 1 0 85 CL 0 0 0
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87 CL 0 0 0 89 CL 0 0 0 90 CL 0 0 0
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103 CL 0 0 0 104 CL 0 0 0 106 CL 0 0 0
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108 CL 0 0 0 110 CL 0 0 0 111 CL 0 0 0
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115 CL 0 1-1 116 CL 0 1-1 121 CL 0 0-1
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124 CL 0 0-1 125 CL 0 0-1 127 CL 0 0-1
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17 NA 0 1 0 20 NA 0 1 0 22 NA 0 1 0
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24 NA 0 0 0 25 NA 1 0 0 26 NA 0 0 0
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33 NA 0 1 0 35 NA 0 1 0 39 NA 0 0 0
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32 NA 6 2.7849 5.2627 73 CL 0 0 0 77 CL 0 0 0 80 CL 0 0 0
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89 CL 0 0 0 92 CL 0 0 0 96 CL 0 0 0
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32 NA 12 3.9385 7.4426 4 NA 0 1 0 13 NA 1 0 0 16 NA 0 0 0
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19 NA 0 1 0 20 NA 0 1 0 25 NA 1 0 0
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88 CL 0 0 0 89 CL 0 0 0 92 CL 0 0 0
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102 CL 1 0 0 103 CL 0 0 0 105 CL 0 0 0
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72 CL -1 0 1 73 CL -1 0 1 76 CL -1 0 1
|
|
86 CL 0 0 0 87 CL 0 0 0 89 CL -1 0 0
|
|
91 CL 0 0 0 93 CL -1 0 0 94 CL 0 0 0
|
|
98 CL 0 0 0 99 CL 0 0 0 107 CL 0 0 0
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|
108 CL -1 0 0 110 CL 0 0 0 112 CL -1 0 0
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|
113 CL -1 0 0 115 CL 0 0 0 119 CL 0 0 0
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|
120 CL -1 0 0 125 CL -1 0 0 128 CL -1 0 0
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|
57 NA 1 6.8187 12.8855 1 NA 0 0 1
|
|
|
|
58 NA 6 2.7849 5.2627 103 CL 0 0 0 106 CL 0 0 0 107 CL 0 0 0
|
|
118 CL 0 0 0 119 CL 0 0 0 122 CL 0 0 0
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|
58 NA 12 3.9385 7.4426 6 NA 0 0 1 9 NA 0 0 1 10 NA 0 0 1
|
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42 NA 0 0 0 43 NA 0 0 0 46 NA 0 0 0
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54 NA 0 0 0 55 NA 0 0 0 57 NA 0 0 0
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|
59 NA 0 0 0 61 NA 0 0 0 62 NA 0 0 0
|
|
58 NA 8 4.8236 9.1153 70 CL 0 0 1 91 CL 0 0 0 102 CL 0 0 0
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104 CL 0 0 0 110 CL 0 0 0 115 CL 0 0 0
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|
121 CL -1 0 0 123 CL 0 0 0
|
|
58 NA 6 5.5698 10.5254 5 NA 0 0 1 7 NA 0 0 1 13 NA 0 0 1
|
|
39 NA 0 0 0 45 NA 0 0 0 47 NA 0 0 0
|
|
58 NA 24 6.2272 11.7678 66 CL 0 0 1 67 CL 0 0 1 69 CL -1 0 1
|
|
71 CL 0 0 1 73 CL -1 0 1 74 CL 0 0 1
|
|
87 CL 0 0 0 88 CL 0 0 0 90 CL 0 0 0
|
|
92 CL 0 0 0 94 CL 0 0 0 95 CL 0 0 0
|
|
99 CL 0 0 0 100 CL 0 0 0 105 CL -1 0 0
|
|
108 CL 0 0 0 109 CL -1 0 0 111 CL 0 0 0
|
|
114 CL 0 0 0 116 CL 0 0 0 117 CL -1 0 0
|
|
120 CL 0 0 0 125 CL -1 0 0 126 CL 0 0 0
|
|
58 NA 24 6.8216 12.8910 2 NA 0 0 1 3 NA 0 0 1 11 NA 0 0 1
|
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12 NA -1 0 1 14 NA 0 0 1 16 NA -1 0 1
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21 NA 0 0 1 22 NA 0 0 1 25 NA 0 0 1
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27 NA 0 0 0 30 NA 0 0 0 31 NA 0 0 0
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33 NA 0 1 0 34 NA 0 1 0 38 NA 0 0 0
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40 NA 0 0 0 41 NA 0 0 0 44 NA 0 0 0
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49 NA 0 1 0 51 NA 0 0 0 53 NA 0 0 0
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56 NA 0 0 0 63 NA 0 0 0 64 NA -1 0 0
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|
|
|
59 NA 6 2.7849 5.2627 104 CL 0 0 0 107 CL 0 0 0 108 CL 0 0 0
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|
119 CL 0 0 0 120 CL 0 0 0 123 CL 0 0 0
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59 NA 12 3.9385 7.4426 7 NA 0 0 1 10 NA 0 0 1 11 NA 0 0 1
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43 NA 0 0 0 44 NA 0 0 0 47 NA 0 0 0
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55 NA 0 0 0 56 NA 0 0 0 58 NA 0 0 0
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|
60 NA 0 0 0 62 NA 0 0 0 63 NA 0 0 0
|
|
59 NA 8 4.8236 9.1153 71 CL 0 0 1 92 CL 0 0 0 101 CL 0 0 0
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103 CL 0 0 0 111 CL 0 0 0 116 CL 0 0 0
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122 CL 0 0 0 124 CL 0 0 0
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59 NA 6 5.5698 10.5254 6 NA 0 0 1 8 NA 0 0 1 14 NA 0 0 1
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40 NA 0 0 0 46 NA 0 0 0 48 NA 0 0 0
|
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59 NA 24 6.2272 11.7678 67 CL 0 0 1 68 CL 0 0 1 70 CL 0 0 1
|
|
72 CL 0 0 1 74 CL 0 0 1 75 CL 0 0 1
|
|
85 CL 0 0 0 88 CL 0 0 0 89 CL 0 0 0
|
|
91 CL 0 0 0 95 CL 0 0 0 96 CL 0 0 0
|
|
97 CL 0 0 0 100 CL 0 0 0 105 CL 0 0 0
|
|
106 CL 0 0 0 110 CL 0 0 0 112 CL 0 0 0
|
|
113 CL 0 0 0 115 CL 0 0 0 117 CL 0 0 0
|
|
118 CL 0 0 0 126 CL 0 0 0 127 CL 0 0 0
|
|
59 NA 24 6.8216 12.8910 3 NA 0 0 1 4 NA 0 0 1 9 NA 0 0 1
|
|
12 NA 0 0 1 13 NA 0 0 1 15 NA 0 0 1
|
|
22 NA 0 0 1 23 NA 0 0 1 26 NA 0 0 1
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28 NA 0 0 0 31 NA 0 0 0 32 NA 0 0 0
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34 NA 0 1 0 35 NA 0 1 0 37 NA 1 0 0
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39 NA 0 0 0 41 NA 1 0 0 42 NA 0 0 0
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50 NA 0 1 0 52 NA 0 0 0 53 NA 1 0 0
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54 NA 0 0 0 61 NA 0 0 0 64 NA 0 0 0
|
|
|
|
60 NA 6 2.7849 5.2627 101 CL 0 0 0 105 CL 0 0 0 108 CL 0 0 0
|
|
117 CL 0 0 0 120 CL 0 0 0 124 CL 0 0 0
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60 NA 12 3.9385 7.4426 8 NA 0 0 1 11 NA 0 0 1 12 NA 0 0 1
|
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41 NA 1 0 0 44 NA 0 0 0 48 NA 0 0 0
|
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53 NA 1 0 0 56 NA 0 0 0 57 NA 1 0 0
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|
59 NA 0 0 0 63 NA 0 0 0 64 NA 0 0 0
|
|
60 NA 8 4.8236 9.1153 72 CL 0 0 1 89 CL 0 0 0 102 CL 1 0 0
|
|
104 CL 0 0 0 112 CL 0 0 0 113 CL 0 0 0
|
|
121 CL 0 0 0 123 CL 0 0 0
|
|
60 NA 6 5.5698 10.5254 5 NA 1 0 1 7 NA 0 0 1 15 NA 0 0 1
|
|
37 NA 1 0 0 45 NA 1 0 0 47 NA 0 0 0
|
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60 NA 24 6.2272 11.7678 65 CL 0 0 1 68 CL 0 0 1 69 CL 0 0 1
|
|
71 CL 0 0 1 75 CL 0 0 1 76 CL 0 0 1
|
|
85 CL 0 0 0 86 CL 1 0 0 90 CL 1 0 0
|
|
92 CL 0 0 0 93 CL 0 0 0 96 CL 0 0 0
|
|
97 CL 0 0 0 98 CL 1 0 0 106 CL 1 0 0
|
|
107 CL 0 0 0 109 CL 0 0 0 111 CL 0 0 0
|
|
114 CL 1 0 0 116 CL 0 0 0 118 CL 1 0 0
|
|
119 CL 0 0 0 127 CL 0 0 0 128 CL 0 0 0
|
|
60 NA 23 6.8216 12.8910 4 NA 0 0 1 9 NA 1 0 1 10 NA 0 0 1
|
|
14 NA 0 0 1 16 NA 0 0 1 23 NA 0 0 1
|
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24 NA 0 0 1 25 NA 1 0 0 27 NA 0 0 1
|
|
29 NA 1 0 0 32 NA 0 0 0 35 NA 0 1 0
|
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36 NA 0 1 0 38 NA 1 0 0 40 NA 0 0 0
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42 NA 1 0 0 43 NA 0 0 0 49 NA 1 0 0
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51 NA 0 1 0 54 NA 1 0 0 55 NA 0 0 0
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61 NA 1 0 0 62 NA 0 0 0
|
|
|
|
61 NA 6 2.7849 5.2627 106 CL 0 0 0 109 CL -1 0 0 110 CL 0 0 0
|
|
121 CL -1 0 0 122 CL 0 0 0 125 CL -1 0 0
|
|
61 NA 12 3.9385 7.4426 9 NA 0 0 1 13 NA 0 0 1 16 NA -1 0 1
|
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33 NA 0 1 0 45 NA 0 0 0 46 NA 0 0 0
|
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49 NA 0 1 0 52 NA -1 1 0 57 NA 0 0 0
|
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58 NA 0 0 0 62 NA 0 0 0 64 NA -1 0 0
|
|
61 NA 8 4.8236 9.1153 73 CL -1 0 1 94 CL 0 0 0 97 CL -1 1 0
|
|
105 CL -1 0 0 107 CL 0 0 0 118 CL 0 0 0
|
|
126 CL 0 0 0 128 CL -1 0 0
|
|
61 NA 6 5.5698 10.5254 4 NA -1 1 1 10 NA 0 0 1 12 NA -1 0 1
|
|
34 NA 0 1 0 36 NA -1 1 0 42 NA 0 0 0
|
|
61 NA 24 6.2272 11.7678 69 CL -1 0 1 70 CL 0 0 1 74 CL 0 0 1
|
|
76 CL -1 0 1 77 CL -1 0 1 80 CL -1 0 1
|
|
81 CL -1 1 0 82 CL 0 1 0 90 CL 0 0 0
|
|
91 CL 0 0 0 93 CL -1 0 0 95 CL 0 0 0
|
|
98 CL 0 1 0 100 CL -1 1 0 102 CL 0 0 0
|
|
103 CL 0 0 0 111 CL 0 0 0 112 CL -1 0 0
|
|
113 CL -1 1 0 116 CL -1 1 0 117 CL -1 0 0
|
|
119 CL 0 0 0 123 CL 0 0 0 124 CL -1 0 0
|
|
61 NA 23 6.8216 12.8910 3 NA -1 1 1 5 NA 0 0 1 6 NA 0 0 1
|
|
14 NA 0 0 1 15 NA -1 0 1 17 NA 0 1 0
|
|
18 NA 0 1 0 25 NA 0 0 1 28 NA -1 0 1
|
|
30 NA 0 0 0 32 NA -1 0 1 37 NA 0 1 0
|
|
40 NA -1 1 0 41 NA 0 0 0 43 NA 0 0 0
|
|
47 NA 0 0 0 48 NA -1 0 0 50 NA 0 1 0
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|
51 NA -1 1 0 54 NA 0 0 0 56 NA -1 1 0
|
|
59 NA 0 0 0 60 NA -1 0 0
|
|
|
|
62 NA 6 2.7849 5.2627 107 CL 0 0 0 110 CL 0 0 0 111 CL 0 0 0
|
|
122 CL 0 0 0 123 CL 0 0 0 126 CL 0 0 0
|
|
62 NA 12 3.9385 7.4426 10 NA 0 0 1 13 NA 0 0 1 14 NA 0 0 1
|
|
34 NA 0 1 0 46 NA 0 0 0 47 NA 0 0 0
|
|
49 NA 0 1 0 50 NA 0 1 0 58 NA 0 0 0
|
|
59 NA 0 0 0 61 NA 0 0 0 63 NA 0 0 0
|
|
62 NA 8 4.8236 9.1153 74 CL 0 0 1 95 CL 0 0 0 98 CL 0 1 0
|
|
106 CL 0 0 0 108 CL 0 0 0 119 CL 0 0 0
|
|
125 CL -1 0 0 127 CL 0 0 0
|
|
62 NA 5 5.5698 10.5254 9 NA 0 0 1 11 NA 0 0 1 33 NA 0 1 0
|
|
35 NA 0 1 0 43 NA 0 0 0
|
|
62 NA 1 5.5698 10.5255 1 NA 0 1 1
|
|
62 NA 24 6.2272 11.7678 70 CL 0 0 1 71 CL 0 0 1 73 CL -1 0 1
|
|
75 CL 0 0 1 77 CL -1 0 1 78 CL 0 0 1
|
|
82 CL 0 1 0 83 CL 0 1 0 91 CL 0 0 0
|
|
92 CL 0 0 0 94 CL 0 0 0 96 CL 0 0 0
|
|
97 CL -1 1 0 99 CL 0 1 0 103 CL 0 0 0
|
|
104 CL 0 0 0 109 CL -1 0 0 112 CL 0 0 0
|
|
113 CL -1 1 0 114 CL 0 1 0 118 CL 0 0 0
|
|
120 CL 0 0 0 121 CL -1 0 0 124 CL 0 0 0
|
|
|
|
63 NA 6 2.7849 5.2627 108 CL 0 0 0 111 CL 0 0 0 112 CL 0 0 0
|
|
123 CL 0 0 0 124 CL 0 0 0 127 CL 0 0 0
|
|
63 NA 12 3.9385 7.4426 11 NA 0 0 1 14 NA 0 0 1 15 NA 0 0 1
|
|
35 NA 0 1 0 47 NA 0 0 0 48 NA 0 0 0
|
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50 NA 0 1 0 51 NA 0 1 0 59 NA 0 0 0
|
|
60 NA 0 0 0 62 NA 0 0 0 64 NA 0 0 0
|
|
63 NA 8 4.8236 9.1153 75 CL 0 0 1 96 CL 0 0 0 99 CL 0 1 0
|
|
105 CL 0 0 0 107 CL 0 0 0 120 CL 0 0 0
|
|
126 CL 0 0 0 128 CL 0 0 0
|
|
63 NA 6 5.5698 10.5254 2 NA 0 1 1 10 NA 0 0 1 12 NA 0 0 1
|
|
34 NA 0 1 0 36 NA 0 1 0 44 NA 0 0 0
|
|
63 NA 24 6.2272 11.7678 71 CL 0 0 1 72 CL 0 0 1 74 CL 0 0 1
|
|
76 CL 0 0 1 78 CL 0 0 1 79 CL 0 0 1
|
|
83 CL 0 1 0 84 CL 0 1 0 89 CL 0 0 0
|
|
92 CL 0 0 0 93 CL 0 0 0 95 CL 0 0 0
|
|
98 CL 0 1 0 100 CL 0 1 0 101 CL 0 0 0
|
|
104 CL 0 0 0 109 CL 0 0 0 110 CL 0 0 0
|
|
114 CL 0 1 0 115 CL 0 1 0 117 CL 0 0 0
|
|
119 CL 0 0 0 121 CL 0 0 0 122 CL 0 0 0
|
|
63 NA 1 6.8158 12.8801 1 NA 0 1 1
|
|
|
|
64 NA 6 2.7849 5.2627 105 CL 0 0 0 109 CL 0 0 0 112 CL 0 0 0
|
|
121 CL 0 0 0 124 CL 0 0 0 128 CL 0 0 0
|
|
64 NA 12 3.9385 7.4426 12 NA 0 0 1 15 NA 0 0 1 16 NA 0 0 1
|
|
36 NA 0 1 0 45 NA 1 0 0 48 NA 0 0 0
|
|
51 NA 0 1 0 52 NA 0 1 0 57 NA 1 0 0
|
|
60 NA 0 0 0 61 NA 1 0 0 63 NA 0 0 0
|
|
64 NA 8 4.8236 9.1153 76 CL 0 0 1 93 CL 0 0 0 100 CL 0 1 0
|
|
106 CL 1 0 0 108 CL 0 0 0 117 CL 0 0 0
|
|
125 CL 0 0 0 127 CL 0 0 0
|
|
64 NA 6 5.5698 10.5254 3 NA 0 1 1 9 NA 1 0 1 11 NA 0 0 1
|
|
33 NA 1 1 0 35 NA 0 1 0 41 NA 1 0 0
|
|
64 NA 24 6.2272 11.7678 69 CL 0 0 1 72 CL 0 0 1 73 CL 0 0 1
|
|
75 CL 0 0 1 79 CL 0 0 1 80 CL 0 0 1
|
|
81 CL 0 1 0 84 CL 0 1 0 89 CL 0 0 0
|
|
90 CL 1 0 0 94 CL 1 0 0 96 CL 0 0 0
|
|
97 CL 0 1 0 99 CL 0 1 0 101 CL 0 0 0
|
|
102 CL 1 0 0 110 CL 1 0 0 111 CL 0 0 0
|
|
115 CL 0 1 0 116 CL 0 1 0 118 CL 1 0 0
|
|
120 CL 0 0 0 122 CL 1 0 0 123 CL 0 0 0
|
|
64 NA 24 6.8216 12.8910 2 NA 0 1 1 4 NA 0 1 1 5 NA 1 0 1
|
|
8 NA 0 0 1 13 NA 1 0 1 14 NA 0 0 1
|
|
17 NA 1 1 0 20 NA 0 1 0 27 NA 0 0 1
|
|
28 NA 0 0 1 29 NA 1 0 0 31 NA 0 0 1
|
|
39 NA 0 1 0 40 NA 0 1 0 42 NA 1 0 0
|
|
44 NA 0 0 0 46 NA 1 0 0 47 NA 0 0 0
|
|
49 NA 1 1 0 50 NA 0 1 0 53 NA 1 0 0
|
|
55 NA 0 1 0 58 NA 1 0 0 59 NA 0 0 0
|
|
|
|
65 CL 5 2.7849 5.2627 5 NA 1 0 0 8 NA 0 0 0 17 NA 1 0 0
|
|
20 NA 0 0 0 24 NA 0 0 0
|
|
65 CL 1 2.7849 5.2628 1 NA 1 0 0
|
|
65 CL 12 3.9385 7.4426 66 CL 1 0 0 68 CL 0 0 0 69 CL 0 0 0
|
|
72 CL 0 0 0 77 CL 0-1 0 78 CL 1-1 0
|
|
81 CL 0 0 0 84 CL 0 0 0 93 CL 0-1 0
|
|
113 CL 0 0-1 114 CL 1 0-1 117 CL 0 0-1
|
|
65 CL 8 4.8236 9.1153 2 NA 1 0 0 4 NA 0 0 0 12 NA 0 0 0
|
|
21 NA 1 0 0 23 NA 0 0 0 29 NA 1-1 0
|
|
36 NA 0 0 0 53 NA 1 0-1
|
|
65 CL 6 5.5698 10.5254 88 CL 0 0 0 94 CL 1-1 0 96 CL 0-1 0
|
|
118 CL 1 0-1 120 CL 0 0-1 126 CL 1-1-1
|
|
65 CL 24 6.2272 11.7678 6 NA 1 0 0 7 NA 0 0 0 9 NA 1 0 0
|
|
11 NA 0 0 0 13 NA 1-1 0 14 NA 1-1 0
|
|
18 NA 1 0 0 19 NA 0 0 0 27 NA 0 0 0
|
|
28 NA 0 0 0 30 NA 1-1 0 32 NA 0-1 0
|
|
33 NA 1 0 0 35 NA 0 0 0 39 NA 0 0 0
|
|
40 NA 0 0 0 45 NA 1-1 0 48 NA 0-1 0
|
|
49 NA 1 0-1 50 NA 1 0-1 54 NA 1 0-1
|
|
56 NA 0 0-1 57 NA 1 0-1 60 NA 0 0-1
|
|
|
|
66 CL 6 2.7849 5.2627 2 NA 0 0 0 5 NA 0 0 0 6 NA 0 0 0
|
|
17 NA 0 0 0 18 NA 0 0 0 21 NA 0 0 0
|
|
66 CL 12 3.9385 7.4426 65 CL -1 0 0 67 CL 0 0 0 69 CL -1 0 0
|
|
70 CL 0 0 0 78 CL 0-1 0 79 CL 0-1 0
|
|
81 CL -1 0 0 82 CL 0 0 0 94 CL 0-1 0
|
|
114 CL 0 0-1 115 CL 0 0-1 118 CL 0 0-1
|
|
66 CL 1 4.8154 9.0999 1 NA 0 0 0
|
|
66 CL 7 4.8236 9.1153 3 NA 0 0 0 9 NA 0 0 0 22 NA 0 0 0
|
|
24 NA -1 0 0 30 NA 0-1 0 33 NA 0 0 0
|
|
54 NA 0 0-1
|
|
66 CL 6 5.5698 10.5254 85 CL -1 0 0 93 CL -1-1 0 95 CL 0-1 0
|
|
117 CL -1 0-1 119 CL 0 0-1 127 CL 0-1-1
|
|
66 CL 24 6.2272 11.7678 7 NA 0 0 0 8 NA -1 0 0 10 NA 0 0 0
|
|
12 NA -1 0 0 14 NA 0-1 0 15 NA 0-1 0
|
|
19 NA 0 0 0 20 NA -1 0 0 25 NA 0 0 0
|
|
28 NA -1 0 0 29 NA 0-1 0 31 NA 0-1 0
|
|
34 NA 0 0 0 36 NA -1 0 0 37 NA 0 0 0
|
|
40 NA -1 0 0 45 NA 0-1 0 46 NA 0-1 0
|
|
50 NA 0 0-1 51 NA 0 0-1 53 NA 0 0-1
|
|
55 NA 0 0-1 57 NA 0 0-1 58 NA 0 0-1
|
|
|
|
67 CL 6 2.7849 5.2627 3 NA 0 0 0 6 NA 0 0 0 7 NA 0 0 0
|
|
18 NA 0 0 0 19 NA 0 0 0 22 NA 0 0 0
|
|
67 CL 12 3.9385 7.4426 66 CL 0 0 0 68 CL 0 0 0 70 CL 0 0 0
|
|
71 CL 0 0 0 79 CL 0-1 0 80 CL 0-1 0
|
|
82 CL 0 0 0 83 CL 0 0 0 95 CL 0-1 0
|
|
115 CL 0 0-1 116 CL 0 0-1 119 CL 0 0-1
|
|
67 CL 8 4.8236 9.1153 2 NA 0 0 0 4 NA 0 0 0 10 NA 0 0 0
|
|
21 NA 0 0 0 23 NA 0 0 0 31 NA 0-1 0
|
|
34 NA 0 0 0 55 NA 0 0-1
|
|
67 CL 6 5.5698 10.5254 86 CL 0 0 0 94 CL 0-1 0 96 CL 0-1 0
|
|
118 CL 0 0-1 120 CL 0 0-1 128 CL 0-1-1
|
|
67 CL 24 6.2272 11.7678 5 NA 0 0 0 8 NA 0 0 0 9 NA 0 0 0
|
|
11 NA 0 0 0 15 NA 0-1 0 16 NA 0-1 0
|
|
17 NA 0 0 0 20 NA 0 0 0 25 NA 0 0 0
|
|
26 NA 0 0 0 30 NA 0-1 0 32 NA 0-1 0
|
|
33 NA 0 0 0 35 NA 0 0 0 37 NA 0 0 0
|
|
38 NA 0 0 0 46 NA 0-1 0 47 NA 0-1 0
|
|
51 NA 0 0-1 52 NA 0 0-1 54 NA 0 0-1
|
|
56 NA 0 0-1 58 NA 0 0-1 59 NA 0 0-1
|
|
67 CL 24 6.8216 12.8910 69 CL -1 0 0 72 CL 0 0 0 74 CL 0 0 0
|
|
76 CL 0-1 0 77 CL 0-1 0 78 CL 0-1 0
|
|
81 CL -1 0 0 84 CL 0 0 0 85 CL -1 0 0
|
|
87 CL 0 0 0 91 CL 0-1 0 92 CL 0-1 0
|
|
98 CL 0 0 0 100 CL 0 0-1 103 CL 0 0-1
|
|
104 CL 0 0-1 110 CL 0-1 0 111 CL 0-1 0
|
|
113 CL 0 0-1 114 CL 0 0-1 122 CL 0 0-1
|
|
123 CL 0 0-1 125 CL 0-1-1 127 CL 0-1-1
|
|
|
|
68 CL 6 2.7849 5.2627 4 NA 0 0 0 7 NA 0 0 0 8 NA 0 0 0
|
|
19 NA 0 0 0 20 NA 0 0 0 23 NA 0 0 0
|
|
68 CL 12 3.9385 7.4426 65 CL 0 0 0 67 CL 0 0 0 71 CL 0 0 0
|
|
72 CL 0 0 0 77 CL 0-1 0 80 CL 0-1 0
|
|
83 CL 0 0 0 84 CL 0 0 0 96 CL 0-1 0
|
|
113 CL 0 0-1 116 CL 0 0-1 120 CL 0 0-1
|
|
68 CL 7 4.8236 9.1153 3 NA 0 0 0 11 NA 0 0 0 22 NA 0 0 0
|
|
24 NA 0 0 0 32 NA 0-1 0 35 NA 0 0 0
|
|
56 NA 0 0-1
|
|
68 CL 1 4.8318 9.1307 1 NA 1 0 0
|
|
68 CL 6 5.5698 10.5254 87 CL 0 0 0 93 CL 0-1 0 95 CL 0-1 0
|
|
117 CL 0 0-1 119 CL 0 0-1 125 CL 0-1-1
|
|
68 CL 24 6.2272 11.7678 5 NA 1 0 0 6 NA 0 0 0 10 NA 0 0 0
|
|
12 NA 0 0 0 13 NA 1-1 0 16 NA 0-1 0
|
|
17 NA 1 0 0 18 NA 0 0 0 26 NA 0 0 0
|
|
27 NA 0 0 0 29 NA 1-1 0 31 NA 0-1 0
|
|
34 NA 0 0 0 36 NA 0 0 0 38 NA 0 0 0
|
|
39 NA 0 0 0 47 NA 0-1 0 48 NA 0-1 0
|
|
49 NA 1 0-1 52 NA 0 0-1 53 NA 1 0-1
|
|
55 NA 0 0-1 59 NA 0 0-1 60 NA 0 0-1
|
|
|
|
69 CL 6 2.7849 5.2627 5 NA 1 0 0 9 NA 1 0 0 12 NA 0 0 0
|
|
21 NA 1 0 0 24 NA 0 0 0 28 NA 0 0 0
|
|
69 CL 12 3.9385 7.4426 65 CL 0 0 0 66 CL 1 0 0 70 CL 1 0 0
|
|
72 CL 0 0 0 73 CL 0 0 0 76 CL 0 0 0
|
|
81 CL 0 0 0 85 CL 0 0 0 88 CL 0 0 0
|
|
117 CL 0 0-1 118 CL 1 0-1 121 CL 0 0-1
|
|
69 CL 8 4.8236 9.1153 6 NA 1 0 0 8 NA 0 0 0 16 NA 0 0 0
|
|
17 NA 1 0 0 25 NA 1 0 0 27 NA 0 0 0
|
|
40 NA 0 0 0 57 NA 1 0-1
|
|
69 CL 6 5.5698 10.5254 82 CL 1 0 0 84 CL 0 0 0 92 CL 0 0 0
|
|
114 CL 1 0-1 122 CL 1 0-1 124 CL 0 0-1
|
|
69 CL 1 6.2241 11.7618 1 NA 1 0 0
|
|
69 CL 23 6.2272 11.7678 2 NA 1 0 0 10 NA 1 0 0 11 NA 0 0 0
|
|
13 NA 1 0 0 15 NA 0 0 0 18 NA 1 0 0
|
|
20 NA 0 0 0 22 NA 1 0 0 23 NA 0 0 0
|
|
31 NA 0 0 0 32 NA 0 0 0 33 NA 1 0 0
|
|
36 NA 0 0 0 37 NA 1 0 0 39 NA 0 0 0
|
|
43 NA 0 0 0 44 NA 0 0 0 53 NA 1 0-1
|
|
54 NA 1 0-1 58 NA 1 0-1 60 NA 0 0-1
|
|
61 NA 1 0-1 64 NA 0 0-1
|
|
|
|
70 CL 6 2.7849 5.2627 6 NA 0 0 0 9 NA 0 0 0 10 NA 0 0 0
|
|
21 NA 0 0 0 22 NA 0 0 0 25 NA 0 0 0
|
|
70 CL 12 3.9385 7.4426 66 CL 0 0 0 67 CL 0 0 0 69 CL -1 0 0
|
|
71 CL 0 0 0 73 CL -1 0 0 74 CL 0 0 0
|
|
82 CL 0 0 0 85 CL -1 0 0 86 CL 0 0 0
|
|
118 CL 0 0-1 119 CL 0 0-1 122 CL 0 0-1
|
|
70 CL 8 4.8236 9.1153 5 NA 0 0 0 7 NA 0 0 0 13 NA 0 0 0
|
|
18 NA 0 0 0 26 NA 0 0 0 28 NA -1 0 0
|
|
37 NA 0 0 0 58 NA 0 0-1
|
|
70 CL 6 5.5698 10.5254 81 CL -1 0 0 83 CL 0 0 0 89 CL -1 0 0
|
|
115 CL 0 0-1 121 CL -1 0-1 123 CL 0 0-1
|
|
70 CL 24 6.2272 11.7678 2 NA 0 0 0 3 NA 0 0 0 11 NA 0 0 0
|
|
12 NA -1 0 0 14 NA 0 0 0 16 NA -1 0 0
|
|
17 NA 0 0 0 19 NA 0 0 0 23 NA 0 0 0
|
|
24 NA -1 0 0 29 NA 0 0 0 32 NA -1 0 0
|
|
33 NA 0 0 0 34 NA 0 0 0 38 NA 0 0 0
|
|
40 NA -1 0 0 41 NA 0 0 0 44 NA -1 0 0
|
|
54 NA 0 0-1 55 NA 0 0-1 57 NA 0 0-1
|
|
59 NA 0 0-1 61 NA 0 0-1 62 NA 0 0-1
|
|
70 CL 24 6.8216 12.8910 65 CL -1 0 0 68 CL 0 0 0 75 CL 0 0 0
|
|
76 CL -1 0 0 77 CL -1 0 0 79 CL 0-1 0
|
|
87 CL 0 0 0 88 CL -1 0 0 90 CL 0 0 0
|
|
92 CL -1 0 0 94 CL 0-1 0 95 CL 0-1 0
|
|
97 CL -1 0 0 98 CL 0 0 0 101 CL -1 0 0
|
|
103 CL 0 0-1 106 CL 0 0-1 107 CL 0 0-1
|
|
114 CL 0 0-1 116 CL 0 0-1 117 CL -1 0-1
|
|
120 CL 0 0-1 125 CL -1 0-1 126 CL 0 0-1
|
|
|
|
71 CL 6 2.7849 5.2627 7 NA 0 0 0 10 NA 0 0 0 11 NA 0 0 0
|
|
22 NA 0 0 0 23 NA 0 0 0 26 NA 0 0 0
|
|
71 CL 12 3.9385 7.4426 67 CL 0 0 0 68 CL 0 0 0 70 CL 0 0 0
|
|
72 CL 0 0 0 74 CL 0 0 0 75 CL 0 0 0
|
|
83 CL 0 0 0 86 CL 0 0 0 87 CL 0 0 0
|
|
119 CL 0 0-1 120 CL 0 0-1 123 CL 0 0-1
|
|
71 CL 8 4.8236 9.1153 6 NA 0 0 0 8 NA 0 0 0 14 NA 0 0 0
|
|
19 NA 0 0 0 25 NA 0 0 0 27 NA 0 0 0
|
|
38 NA 0 0 0 59 NA 0 0-1
|
|
71 CL 6 5.5698 10.5254 82 CL 0 0 0 84 CL 0 0 0 90 CL 0 0 0
|
|
116 CL 0 0-1 122 CL 0 0-1 124 CL 0 0-1
|
|
71 CL 24 6.2272 11.7678 3 NA 0 0 0 4 NA 0 0 0 9 NA 0 0 0
|
|
12 NA 0 0 0 13 NA 0 0 0 15 NA 0 0 0
|
|
18 NA 0 0 0 20 NA 0 0 0 21 NA 0 0 0
|
|
24 NA 0 0 0 29 NA 0 0 0 30 NA 0 0 0
|
|
34 NA 0 0 0 35 NA 0 0 0 37 NA 0 0 0
|
|
39 NA 0 0 0 41 NA 0 0 0 42 NA 0 0 0
|
|
55 NA 0 0-1 56 NA 0 0-1 58 NA 0 0-1
|
|
60 NA 0 0-1 62 NA 0 0-1 63 NA 0 0-1
|
|
71 CL 24 6.8216 12.8910 65 CL 0 0 0 66 CL 0 0 0 73 CL -1 0 0
|
|
76 CL 0 0 0 78 CL 0 0 0 80 CL 0-1 0
|
|
85 CL -1 0 0 88 CL 0 0 0 89 CL -1 0 0
|
|
91 CL 0 0 0 95 CL 0-1 0 96 CL 0-1 0
|
|
98 CL 0 0 0 99 CL 0 0 0 102 CL 0 0 0
|
|
104 CL 0 0-1 107 CL 0 0-1 108 CL 0 0-1
|
|
113 CL 0 0-1 115 CL 0 0-1 117 CL 0 0-1
|
|
118 CL 0 0-1 126 CL 0 0-1 127 CL 0 0-1
|
|
|
|
72 CL 6 2.7849 5.2627 8 NA 0 0 0 11 NA 0 0 0 12 NA 0 0 0
|
|
23 NA 0 0 0 24 NA 0 0 0 27 NA 0 0 0
|
|
72 CL 12 3.9385 7.4426 65 CL 0 0 0 68 CL 0 0 0 69 CL 0 0 0
|
|
71 CL 0 0 0 75 CL 0 0 0 76 CL 0 0 0
|
|
84 CL 0 0 0 87 CL 0 0 0 88 CL 0 0 0
|
|
117 CL 0 0-1 120 CL 0 0-1 124 CL 0 0-1
|
|
72 CL 8 4.8236 9.1153 5 NA 1 0 0 7 NA 0 0 0 15 NA 0 0 0
|
|
20 NA 0 0 0 26 NA 0 0 0 28 NA 0 0 0
|
|
39 NA 0 0 0 60 NA 0 0-1
|
|
72 CL 6 5.5698 10.5254 81 CL 0 0 0 83 CL 0 0 0 91 CL 0 0 0
|
|
113 CL 0 0-1 121 CL 0 0-1 123 CL 0 0-1
|
|
72 CL 23 6.2272 11.7678 4 NA 0 0 0 9 NA 1 0 0 10 NA 0 0 0
|
|
14 NA 0 0 0 16 NA 0 0 0 17 NA 1 0 0
|
|
19 NA 0 0 0 21 NA 1 0 0 22 NA 0 0 0
|
|
30 NA 0 0 0 31 NA 0 0 0 35 NA 0 0 0
|
|
36 NA 0 0 0 38 NA 0 0 0 40 NA 0 0 0
|
|
42 NA 0 0 0 43 NA 0 0 0 53 NA 1 0-1
|
|
56 NA 0 0-1 57 NA 1 0-1 59 NA 0 0-1
|
|
63 NA 0 0-1 64 NA 0 0-1
|
|
72 CL 1 6.2304 11.7738 1 NA 1 0 0
|
|
|
|
73 CL 6 2.7849 5.2627 9 NA 1 0 0 13 NA 1 0 0 16 NA 0 0 0
|
|
25 NA 1 0 0 28 NA 0 0 0 32 NA 0 0 0
|
|
73 CL 12 3.9385 7.4426 69 CL 0 0 0 70 CL 1 0 0 74 CL 1 0 0
|
|
76 CL 0 0 0 77 CL 0 0 0 80 CL 0 0 0
|
|
85 CL 0 0 0 89 CL 0 0 0 92 CL 0 0 0
|
|
121 CL 0 0-1 122 CL 1 0-1 125 CL 0 0-1
|
|
73 CL 8 4.8236 9.1153 4 NA 0 1 0 10 NA 1 0 0 12 NA 0 0 0
|
|
21 NA 1 0 0 29 NA 1 0 0 31 NA 0 0 0
|
|
44 NA 0 0 0 61 NA 1 0-1
|
|
73 CL 6 5.5698 10.5254 86 CL 1 0 0 88 CL 0 0 0 96 CL 0 0 0
|
|
118 CL 1 0-1 126 CL 1 0-1 128 CL 0 0-1
|
|
73 CL 23 6.2272 11.7678 3 NA 0 1 0 5 NA 1 0 0 6 NA 1 0 0
|
|
14 NA 1 0 0 15 NA 0 0 0 19 NA 0 1 0
|
|
20 NA 0 1 0 22 NA 1 0 0 24 NA 0 0 0
|
|
26 NA 1 0 0 27 NA 0 0 0 37 NA 1 0 0
|
|
40 NA 0 0 0 41 NA 1 0 0 43 NA 0 0 0
|
|
47 NA 0 0 0 48 NA 0 0 0 49 NA 1 1-1
|
|
52 NA 0 1-1 57 NA 1 0-1 58 NA 1 0-1
|
|
62 NA 1 0-1 64 NA 0 0-1
|
|
73 CL 1 6.2336 11.7798 1 NA 1 1 0
|
|
|
|
74 CL 6 2.7849 5.2627 10 NA 0 0 0 13 NA 0 0 0 14 NA 0 0 0
|
|
25 NA 0 0 0 26 NA 0 0 0 29 NA 0 0 0
|
|
74 CL 12 3.9385 7.4426 70 CL 0 0 0 71 CL 0 0 0 73 CL -1 0 0
|
|
75 CL 0 0 0 77 CL -1 0 0 78 CL 0 0 0
|
|
86 CL 0 0 0 89 CL -1 0 0 90 CL 0 0 0
|
|
122 CL 0 0-1 123 CL 0 0-1 126 CL 0 0-1
|
|
74 CL 7 4.8236 9.1153 9 NA 0 0 0 11 NA 0 0 0 22 NA 0 0 0
|
|
30 NA 0 0 0 32 NA -1 0 0 41 NA 0 0 0
|
|
62 NA 0 0-1
|
|
74 CL 1 4.8236 9.1153 1 NA 0 1 0
|
|
74 CL 6 5.5698 10.5254 85 CL -1 0 0 87 CL 0 0 0 93 CL -1 0 0
|
|
119 CL 0 0-1 125 CL -1 0-1 127 CL 0 0-1
|
|
74 CL 24 6.2272 11.7678 2 NA 0 1 0 4 NA -1 1 0 6 NA 0 0 0
|
|
7 NA 0 0 0 15 NA 0 0 0 16 NA -1 0 0
|
|
17 NA 0 1 0 20 NA -1 1 0 21 NA 0 0 0
|
|
23 NA 0 0 0 27 NA 0 0 0 28 NA -1 0 0
|
|
37 NA 0 0 0 38 NA 0 0 0 42 NA 0 0 0
|
|
44 NA -1 0 0 45 NA 0 0 0 48 NA -1 0 0
|
|
49 NA 0 1-1 50 NA 0 1-1 58 NA 0 0-1
|
|
59 NA 0 0-1 61 NA 0 0-1 63 NA 0 0-1
|
|
|
|
75 CL 6 2.7849 5.2627 11 NA 0 0 0 14 NA 0 0 0 15 NA 0 0 0
|
|
26 NA 0 0 0 27 NA 0 0 0 30 NA 0 0 0
|
|
75 CL 12 3.9385 7.4426 71 CL 0 0 0 72 CL 0 0 0 74 CL 0 0 0
|
|
76 CL 0 0 0 78 CL 0 0 0 79 CL 0 0 0
|
|
87 CL 0 0 0 90 CL 0 0 0 91 CL 0 0 0
|
|
123 CL 0 0-1 124 CL 0 0-1 127 CL 0 0-1
|
|
75 CL 8 4.8236 9.1153 2 NA 0 1 0 10 NA 0 0 0 12 NA 0 0 0
|
|
23 NA 0 0 0 29 NA 0 0 0 31 NA 0 0 0
|
|
42 NA 0 0 0 63 NA 0 0-1
|
|
75 CL 6 5.5698 10.5254 86 CL 0 0 0 88 CL 0 0 0 94 CL 0 0 0
|
|
120 CL 0 0-1 126 CL 0 0-1 128 CL 0 0-1
|
|
75 CL 1 6.2209 11.7558 1 NA 0 1 0
|
|
75 CL 23 6.2272 11.7678 3 NA 0 1 0 7 NA 0 0 0 8 NA 0 0 0
|
|
13 NA 0 0 0 16 NA 0 0 0 17 NA 0 1 0
|
|
18 NA 0 1 0 22 NA 0 0 0 24 NA 0 0 0
|
|
25 NA 0 0 0 28 NA 0 0 0 38 NA 0 0 0
|
|
39 NA 0 0 0 41 NA 0 0 0 43 NA 0 0 0
|
|
45 NA 0 0 0 46 NA 0 0 0 50 NA 0 1-1
|
|
51 NA 0 1-1 59 NA 0 0-1 60 NA 0 0-1
|
|
62 NA 0 0-1 64 NA 0 0-1
|
|
|
|
76 CL 6 2.7849 5.2627 12 NA 0 0 0 15 NA 0 0 0 16 NA 0 0 0
|
|
27 NA 0 0 0 28 NA 0 0 0 31 NA 0 0 0
|
|
76 CL 12 3.9385 7.4426 69 CL 0 0 0 72 CL 0 0 0 73 CL 0 0 0
|
|
75 CL 0 0 0 79 CL 0 0 0 80 CL 0 0 0
|
|
88 CL 0 0 0 91 CL 0 0 0 92 CL 0 0 0
|
|
121 CL 0 0-1 124 CL 0 0-1 128 CL 0 0-1
|
|
76 CL 8 4.8236 9.1153 3 NA 0 1 0 9 NA 1 0 0 11 NA 0 0 0
|
|
24 NA 0 0 0 30 NA 0 0 0 32 NA 0 0 0
|
|
43 NA 0 0 0 64 NA 0 0-1
|
|
76 CL 6 5.5698 10.5254 85 CL 0 0 0 87 CL 0 0 0 95 CL 0 0 0
|
|
117 CL 0 0-1 125 CL 0 0-1 127 CL 0 0-1
|
|
76 CL 24 6.2272 11.7678 2 NA 0 1 0 4 NA 0 1 0 5 NA 1 0 0
|
|
8 NA 0 0 0 13 NA 1 0 0 14 NA 0 0 0
|
|
18 NA 0 1 0 19 NA 0 1 0 21 NA 1 0 0
|
|
23 NA 0 0 0 25 NA 1 0 0 26 NA 0 0 0
|
|
39 NA 0 0 0 40 NA 0 0 0 42 NA 0 0 0
|
|
44 NA 0 0 0 46 NA 0 0 0 47 NA 0 0 0
|
|
51 NA 0 1-1 52 NA 0 1-1 57 NA 1 0-1
|
|
60 NA 0 0-1 61 NA 1 0-1 63 NA 0 0-1
|
|
76 CL 24 6.8216 12.8910 65 CL 0 0 0 67 CL 0 1 0 70 CL 1 0 0
|
|
71 CL 0 0 0 77 CL 0 0 0 78 CL 0 0 0
|
|
81 CL 0 0 0 84 CL 0 0 0 89 CL 0 0 0
|
|
90 CL 0 0 0 94 CL 0 0 0 96 CL 0 0 0
|
|
103 CL 0 0 0 104 CL 0 0 0 105 CL 0 0-1
|
|
107 CL 0 0 0 109 CL 0 0-1 112 CL 0 0-1
|
|
115 CL 0 1-1 116 CL 0 1-1 118 CL 1 0-1
|
|
120 CL 0 0-1 122 CL 1 0-1 123 CL 0 0-1
|
|
|
|
77 CL 5 2.7849 5.2627 4 NA 0 1 0 13 NA 1 0 0 20 NA 0 1 0
|
|
29 NA 1 0 0 32 NA 0 0 0
|
|
77 CL 1 2.7920 5.2761 1 NA 1 1 0
|
|
77 CL 12 3.9385 7.4426 65 CL 0 1 0 68 CL 0 1 0 73 CL 0 0 0
|
|
74 CL 1 0 0 78 CL 1 0 0 80 CL 0 0 0
|
|
89 CL 0 0 0 93 CL 0 0 0 96 CL 0 0 0
|
|
113 CL 0 1-1 125 CL 0 0-1 126 CL 1 0-1
|
|
77 CL 8 4.8236 9.1153 8 NA 0 1 0 14 NA 1 0 0 16 NA 0 0 0
|
|
17 NA 1 1 0 19 NA 0 1 0 25 NA 1 0 0
|
|
48 NA 0 0 0 49 NA 1 1-1
|
|
77 CL 6 5.5698 10.5254 84 CL 0 1 0 90 CL 1 0 0 92 CL 0 0 0
|
|
114 CL 1 1-1 116 CL 0 1-1 122 CL 1 0-1
|
|
77 CL 24 6.2272 11.7678 2 NA 1 1 0 3 NA 0 1 0 5 NA 1 1 0
|
|
7 NA 0 1 0 9 NA 1 0 0 10 NA 1 0 0
|
|
23 NA 0 1 0 24 NA 0 1 0 26 NA 1 0 0
|
|
28 NA 0 0 0 30 NA 1 0 0 31 NA 0 0 0
|
|
35 NA 0 1 0 36 NA 0 1 0 41 NA 1 0 0
|
|
44 NA 0 0 0 45 NA 1 0 0 47 NA 0 0 0
|
|
50 NA 1 1-1 52 NA 0 1-1 53 NA 1 1-1
|
|
56 NA 0 1-1 61 NA 1 0-1 62 NA 1 0-1
|
|
|
|
78 CL 1 2.7778 5.2494 1 NA 0 1 0
|
|
78 CL 5 2.7849 5.2627 2 NA 0 1 0 14 NA 0 0 0 17 NA 0 1 0
|
|
29 NA 0 0 0 30 NA 0 0 0
|
|
78 CL 12 3.9385 7.4426 65 CL -1 1 0 66 CL 0 1 0 74 CL 0 0 0
|
|
75 CL 0 0 0 77 CL -1 0 0 79 CL 0 0 0
|
|
90 CL 0 0 0 93 CL -1 0 0 94 CL 0 0 0
|
|
114 CL 0 1-1 126 CL 0 0-1 127 CL 0 0-1
|
|
78 CL 8 4.8236 9.1153 5 NA 0 1 0 13 NA 0 0 0 15 NA 0 0 0
|
|
18 NA 0 1 0 20 NA -1 1 0 26 NA 0 0 0
|
|
45 NA 0 0 0 50 NA 0 1-1
|
|
78 CL 6 5.5698 10.5254 81 CL -1 1 0 89 CL -1 0 0 91 CL 0 0 0
|
|
113 CL -1 1-1 115 CL 0 1-1 123 CL 0 0-1
|
|
78 CL 24 6.2272 11.7678 3 NA 0 1 0 4 NA -1 1 0 6 NA 0 1 0
|
|
8 NA -1 1 0 10 NA 0 0 0 11 NA 0 0 0
|
|
21 NA 0 1 0 24 NA -1 1 0 25 NA 0 0 0
|
|
27 NA 0 0 0 31 NA 0 0 0 32 NA -1 0 0
|
|
33 NA 0 1 0 36 NA -1 1 0 41 NA 0 0 0
|
|
42 NA 0 0 0 46 NA 0 0 0 48 NA -1 0 0
|
|
49 NA 0 1-1 51 NA 0 1-1 53 NA 0 1-1
|
|
54 NA 0 1-1 62 NA 0 0-1 63 NA 0 0-1
|
|
|
|
79 CL 6 2.7849 5.2627 2 NA 0 1 0 3 NA 0 1 0 15 NA 0 0 0
|
|
18 NA 0 1 0 30 NA 0 0 0 31 NA 0 0 0
|
|
79 CL 12 3.9385 7.4426 66 CL 0 1 0 67 CL 0 1 0 75 CL 0 0 0
|
|
76 CL 0 0 0 78 CL 0 0 0 80 CL 0 0 0
|
|
91 CL 0 0 0 94 CL 0 0 0 95 CL 0 0 0
|
|
115 CL 0 1-1 127 CL 0 0-1 128 CL 0 0-1
|
|
79 CL 8 4.8236 9.1153 6 NA 0 1 0 14 NA 0 0 0 16 NA 0 0 0
|
|
17 NA 0 1 0 19 NA 0 1 0 27 NA 0 0 0
|
|
46 NA 0 0 0 51 NA 0 1-1
|
|
79 CL 6 5.5698 10.5254 82 CL 0 1 0 90 CL 0 0 0 92 CL 0 0 0
|
|
114 CL 0 1-1 116 CL 0 1-1 124 CL 0 0-1
|
|
79 CL 1 6.2178 11.7499 1 NA 0 1 0
|
|
79 CL 23 6.2272 11.7678 4 NA 0 1 0 5 NA 0 1 0 7 NA 0 1 0
|
|
11 NA 0 0 0 12 NA 0 0 0 21 NA 0 1 0
|
|
22 NA 0 1 0 26 NA 0 0 0 28 NA 0 0 0
|
|
29 NA 0 0 0 32 NA 0 0 0 33 NA 0 1 0
|
|
34 NA 0 1 0 42 NA 0 0 0 43 NA 0 0 0
|
|
45 NA 0 0 0 47 NA 0 0 0 50 NA 0 1-1
|
|
52 NA 0 1-1 54 NA 0 1-1 55 NA 0 1-1
|
|
63 NA 0 0-1 64 NA 0 0-1
|
|
|
|
80 CL 6 2.7849 5.2627 3 NA 0 1 0 4 NA 0 1 0 16 NA 0 0 0
|
|
19 NA 0 1 0 31 NA 0 0 0 32 NA 0 0 0
|
|
80 CL 12 3.9385 7.4426 67 CL 0 1 0 68 CL 0 1 0 73 CL 0 0 0
|
|
76 CL 0 0 0 77 CL 0 0 0 79 CL 0 0 0
|
|
92 CL 0 0 0 95 CL 0 0 0 96 CL 0 0 0
|
|
116 CL 0 1-1 125 CL 0 0-1 128 CL 0 0-1
|
|
80 CL 8 4.8236 9.1153 7 NA 0 1 0 13 NA 1 0 0 15 NA 0 0 0
|
|
18 NA 0 1 0 20 NA 0 1 0 28 NA 0 0 0
|
|
47 NA 0 0 0 52 NA 0 1-1
|
|
80 CL 6 5.5698 10.5254 83 CL 0 1 0 89 CL 0 0 0 91 CL 0 0 0
|
|
113 CL 0 1-1 115 CL 0 1-1 121 CL 0 0-1
|
|
80 CL 23 6.2272 11.7678 2 NA 0 1 0 6 NA 0 1 0 8 NA 0 1 0
|
|
9 NA 1 0 0 12 NA 0 0 0 22 NA 0 1 0
|
|
23 NA 0 1 0 25 NA 1 0 0 27 NA 0 0 0
|
|
29 NA 1 0 0 30 NA 0 0 0 34 NA 0 1 0
|
|
35 NA 0 1 0 43 NA 0 0 0 44 NA 0 0 0
|
|
46 NA 0 0 0 48 NA 0 0 0 49 NA 1 1-1
|
|
51 NA 0 1-1 55 NA 0 1-1 56 NA 0 1-1
|
|
61 NA 1 0-1 64 NA 0 0-1
|
|
80 CL 1 6.2367 11.7857 1 NA 1 1 0
|
|
|
|
81 CL 6 2.7849 5.2627 17 NA 1 0 0 21 NA 1 0 0 24 NA 0 0 0
|
|
33 NA 1 0 0 36 NA 0 0 0 40 NA 0 0 0
|
|
81 CL 12 3.9385 7.4426 65 CL 0 0 0 66 CL 1 0 0 69 CL 0 0 0
|
|
82 CL 1 0 0 84 CL 0 0 0 85 CL 0 0 0
|
|
88 CL 0 0 0 93 CL 0-1 0 94 CL 1-1 0
|
|
97 CL 0 0 0 100 CL 0 0 0 109 CL 0-1 0
|
|
81 CL 8 4.8236 9.1153 5 NA 1 0 0 18 NA 1 0 0 20 NA 0 0 0
|
|
28 NA 0 0 0 37 NA 1 0 0 39 NA 0 0 0
|
|
45 NA 1-1 0 52 NA 0 0 0
|
|
81 CL 6 5.5698 10.5254 70 CL 1 0 0 72 CL 0 0 0 78 CL 1-1 0
|
|
104 CL 0 0 0 110 CL 1-1 0 112 CL 0-1 0
|
|
81 CL 1 6.2241 11.7618 1 NA 1 0 0
|
|
81 CL 23 6.2272 11.7678 2 NA 1 0 0 6 NA 1 0 0 8 NA 0 0 0
|
|
9 NA 1 0 0 12 NA 0 0 0 22 NA 1 0 0
|
|
23 NA 0 0 0 25 NA 1 0 0 27 NA 0 0 0
|
|
29 NA 1-1 0 30 NA 1-1 0 34 NA 1 0 0
|
|
35 NA 0 0 0 43 NA 0 0 0 44 NA 0 0 0
|
|
46 NA 1-1 0 48 NA 0-1 0 49 NA 1 0 0
|
|
51 NA 0 0 0 55 NA 0 0 0 56 NA 0 0 0
|
|
61 NA 1-1 0 64 NA 0-1 0
|
|
|
|
82 CL 6 2.7849 5.2627 18 NA 0 0 0 21 NA 0 0 0 22 NA 0 0 0
|
|
33 NA 0 0 0 34 NA 0 0 0 37 NA 0 0 0
|
|
82 CL 12 3.9385 7.4426 66 CL 0 0 0 67 CL 0 0 0 70 CL 0 0 0
|
|
81 CL -1 0 0 83 CL 0 0 0 85 CL -1 0 0
|
|
86 CL 0 0 0 94 CL 0-1 0 95 CL 0-1 0
|
|
97 CL -1 0 0 98 CL 0 0 0 110 CL 0-1 0
|
|
82 CL 8 4.8236 9.1153 6 NA 0 0 0 17 NA 0 0 0 19 NA 0 0 0
|
|
25 NA 0 0 0 38 NA 0 0 0 40 NA -1 0 0
|
|
46 NA 0-1 0 49 NA 0 0 0
|
|
82 CL 6 5.5698 10.5254 69 CL -1 0 0 71 CL 0 0 0 79 CL 0-1 0
|
|
101 CL -1 0 0 109 CL -1-1 0 111 CL 0-1 0
|
|
82 CL 24 6.2272 11.7678 2 NA 0 0 0 3 NA 0 0 0 5 NA 0 0 0
|
|
7 NA 0 0 0 9 NA 0 0 0 10 NA 0 0 0
|
|
23 NA 0 0 0 24 NA -1 0 0 26 NA 0 0 0
|
|
28 NA -1 0 0 30 NA 0-1 0 31 NA 0-1 0
|
|
35 NA 0 0 0 36 NA -1 0 0 41 NA 0 0 0
|
|
44 NA -1 0 0 45 NA 0-1 0 47 NA 0-1 0
|
|
50 NA 0 0 0 52 NA -1 0 0 53 NA 0 0 0
|
|
56 NA -1 0 0 61 NA 0-1 0 62 NA 0-1 0
|
|
82 CL 24 6.8216 12.8910 65 CL -1 0 0 68 CL 0 0 0 73 CL -1 0 0
|
|
74 CL 0 0 0 78 CL 0-1 0 80 CL 0-1 0
|
|
87 CL 0 0 0 88 CL -1 0 0 89 CL -1 0 0
|
|
91 CL 0-1 0 93 CL -1-1 0 96 CL 0-1 0
|
|
99 CL 0 0 0 100 CL -1 0 0 102 CL 0 0 0
|
|
104 CL -1 0 0 106 CL 0-1 0 107 CL 0-1 0
|
|
113 CL -1 0 0 115 CL 0 0-1 118 CL 0 0-1
|
|
119 CL 0 0-1 125 CL -1-1 0 126 CL 0-1 0
|
|
|
|
83 CL 6 2.7849 5.2627 19 NA 0 0 0 22 NA 0 0 0 23 NA 0 0 0
|
|
34 NA 0 0 0 35 NA 0 0 0 38 NA 0 0 0
|
|
83 CL 12 3.9385 7.4426 67 CL 0 0 0 68 CL 0 0 0 71 CL 0 0 0
|
|
82 CL 0 0 0 84 CL 0 0 0 86 CL 0 0 0
|
|
87 CL 0 0 0 95 CL 0-1 0 96 CL 0-1 0
|
|
98 CL 0 0 0 99 CL 0 0 0 111 CL 0-1 0
|
|
83 CL 8 4.8236 9.1153 7 NA 0 0 0 18 NA 0 0 0 20 NA 0 0 0
|
|
26 NA 0 0 0 37 NA 0 0 0 39 NA 0 0 0
|
|
47 NA 0-1 0 50 NA 0 0 0
|
|
83 CL 6 5.5698 10.5254 70 CL 0 0 0 72 CL 0 0 0 80 CL 0-1 0
|
|
102 CL 0 0 0 110 CL 0-1 0 112 CL 0-1 0
|
|
83 CL 24 6.2272 11.7678 3 NA 0 0 0 4 NA 0 0 0 6 NA 0 0 0
|
|
8 NA 0 0 0 10 NA 0 0 0 11 NA 0 0 0
|
|
21 NA 0 0 0 24 NA 0 0 0 25 NA 0 0 0
|
|
27 NA 0 0 0 31 NA 0-1 0 32 NA 0-1 0
|
|
33 NA 0 0 0 36 NA 0 0 0 41 NA 0 0 0
|
|
42 NA 0 0 0 46 NA 0-1 0 48 NA 0-1 0
|
|
49 NA 0 0 0 51 NA 0 0 0 53 NA 0 0 0
|
|
54 NA 0 0 0 62 NA 0-1 0 63 NA 0-1 0
|
|
83 CL 24 6.8216 12.8910 65 CL 0 0 0 66 CL 0 0 0 74 CL 0 0 0
|
|
75 CL 0 0 0 77 CL 0-1 0 79 CL 0-1 0
|
|
85 CL -1 0 0 88 CL 0 0 0 90 CL 0 0 0
|
|
92 CL 0-1 0 93 CL 0-1 0 94 CL 0-1 0
|
|
97 CL -1 0 0 100 CL 0 0 0 101 CL -1 0 0
|
|
103 CL 0 0 0 107 CL 0-1 0 108 CL 0-1 0
|
|
114 CL 0 0 0 116 CL 0 0-1 119 CL 0 0-1
|
|
120 CL 0 0-1 126 CL 0-1 0 127 CL 0-1 0
|
|
|
|
84 CL 6 2.7849 5.2627 20 NA 0 0 0 23 NA 0 0 0 24 NA 0 0 0
|
|
35 NA 0 0 0 36 NA 0 0 0 39 NA 0 0 0
|
|
84 CL 12 3.9385 7.4426 65 CL 0 0 0 68 CL 0 0 0 72 CL 0 0 0
|
|
81 CL 0 0 0 83 CL 0 0 0 87 CL 0 0 0
|
|
88 CL 0 0 0 93 CL 0-1 0 96 CL 0-1 0
|
|
99 CL 0 0 0 100 CL 0 0 0 112 CL 0-1 0
|
|
84 CL 8 4.8236 9.1153 8 NA 0 0 0 17 NA 1 0 0 19 NA 0 0 0
|
|
27 NA 0 0 0 38 NA 0 0 0 40 NA 0 0 0
|
|
48 NA 0-1 0 51 NA 0 0 0
|
|
84 CL 6 5.5698 10.5254 69 CL 0 0 0 71 CL 0 0 0 77 CL 0-1 0
|
|
103 CL 0 0 0 109 CL 0-1 0 111 CL 0-1 0
|
|
84 CL 23 6.2272 11.7678 4 NA 0 0 0 5 NA 1 0 0 7 NA 0 0 0
|
|
11 NA 0 0 0 12 NA 0 0 0 21 NA 1 0 0
|
|
22 NA 0 0 0 26 NA 0 0 0 28 NA 0 0 0
|
|
29 NA 1-1 0 32 NA 0-1 0 33 NA 1 0 0
|
|
34 NA 0 0 0 42 NA 0 0 0 43 NA 0 0 0
|
|
45 NA 1-1 0 47 NA 0-1 0 50 NA 0 0 0
|
|
52 NA 0 0 0 54 NA 0 0 0 55 NA 0 0 0
|
|
63 NA 0-1 0 64 NA 0-1 0
|
|
84 CL 1 6.2304 11.7738 1 NA 1 0 0
|
|
|
|
85 CL 6 2.7849 5.2627 21 NA 1 0 0 25 NA 1 0 0 28 NA 0 0 0
|
|
37 NA 1 0 0 40 NA 0 0 0 44 NA 0 0 0
|
|
85 CL 12 3.9385 7.4426 69 CL 0 0 0 70 CL 1 0 0 73 CL 0 0 0
|
|
81 CL 0 0 0 82 CL 1 0 0 86 CL 1 0 0
|
|
88 CL 0 0 0 89 CL 0 0 0 92 CL 0 0 0
|
|
97 CL 0 0 0 101 CL 0 0 0 104 CL 0 0 0
|
|
85 CL 8 4.8236 9.1153 9 NA 1 0 0 22 NA 1 0 0 24 NA 0 0 0
|
|
32 NA 0 0 0 33 NA 1 0 0 41 NA 1 0 0
|
|
43 NA 0 0 0 56 NA 0 0 0
|
|
85 CL 6 5.5698 10.5254 66 CL 1 0 0 74 CL 1 0 0 76 CL 0 0 0
|
|
98 CL 1 0 0 100 CL 0 0 0 108 CL 0 0 0
|
|
85 CL 24 6.2272 11.7678 5 NA 1 0 0 6 NA 1 0 0 10 NA 1 0 0
|
|
12 NA 0 0 0 13 NA 1 0 0 16 NA 0 0 0
|
|
17 NA 1 0 0 18 NA 1 0 0 26 NA 1 0 0
|
|
27 NA 0 0 0 29 NA 1 0 0 31 NA 0 0 0
|
|
34 NA 1 0 0 36 NA 0 0 0 38 NA 1 0 0
|
|
39 NA 0 0 0 47 NA 0 0 0 48 NA 0 0 0
|
|
49 NA 1 0 0 52 NA 0 0 0 53 NA 1 0 0
|
|
55 NA 0 0 0 59 NA 0 0 0 60 NA 0 0 0
|
|
85 CL 24 6.8216 12.8910 65 CL 0 0 0 67 CL 1 0 0 71 CL 1 0 0
|
|
72 CL 0 0 0 77 CL 0 0 0 80 CL 0 0 0
|
|
83 CL 1 0 0 84 CL 0 0 0 90 CL 1 0 0
|
|
91 CL 0 0 0 94 CL 1-1 0 96 CL 0 0 0
|
|
102 CL 1 0 0 103 CL 0 0 0 105 CL 0 0 0
|
|
107 CL 0 0 0 109 CL 0-1 0 110 CL 1-1 0
|
|
113 CL 0 0 0 116 CL 0 0 0 118 CL 1 0-1
|
|
120 CL 0 0 0 121 CL 0 0-1 122 CL 1 0-1
|
|
|
|
86 CL 6 2.7849 5.2627 22 NA 0 0 0 25 NA 0 0 0 26 NA 0 0 0
|
|
37 NA 0 0 0 38 NA 0 0 0 41 NA 0 0 0
|
|
86 CL 12 3.9385 7.4426 70 CL 0 0 0 71 CL 0 0 0 74 CL 0 0 0
|
|
82 CL 0 0 0 83 CL 0 0 0 85 CL -1 0 0
|
|
87 CL 0 0 0 89 CL -1 0 0 90 CL 0 0 0
|
|
98 CL 0 0 0 101 CL -1 0 0 102 CL 0 0 0
|
|
86 CL 8 4.8236 9.1153 10 NA 0 0 0 21 NA 0 0 0 23 NA 0 0 0
|
|
29 NA 0 0 0 34 NA 0 0 0 42 NA 0 0 0
|
|
44 NA -1 0 0 53 NA 0 0 0
|
|
86 CL 6 5.5698 10.5254 67 CL 0 0 0 73 CL -1 0 0 75 CL 0 0 0
|
|
97 CL -1 0 0 99 CL 0 0 0 105 CL -1 0 0
|
|
86 CL 24 6.2272 11.7678 6 NA 0 0 0 7 NA 0 0 0 9 NA 0 0 0
|
|
11 NA 0 0 0 13 NA 0 0 0 14 NA 0 0 0
|
|
18 NA 0 0 0 19 NA 0 0 0 27 NA 0 0 0
|
|
28 NA -1 0 0 30 NA 0 0 0 32 NA -1 0 0
|
|
33 NA 0 0 0 35 NA 0 0 0 39 NA 0 0 0
|
|
40 NA -1 0 0 45 NA 0 0 0 48 NA -1 0 0
|
|
49 NA 0 0 0 50 NA 0 0 0 54 NA 0 0 0
|
|
56 NA -1 0 0 57 NA 0 0 0 60 NA -1 0 0
|
|
86 CL 24 6.8216 12.8910 66 CL 0 0 0 68 CL 0 0 0 69 CL -1 0 0
|
|
72 CL 0 0 0 77 CL -1 0 0 78 CL 0 0 0
|
|
81 CL -1 0 0 84 CL 0 0 0 91 CL 0 0 0
|
|
92 CL -1 0 0 93 CL -1 0 0 95 CL 0-1 0
|
|
103 CL 0 0 0 104 CL -1 0 0 106 CL 0 0 0
|
|
108 CL -1 0 0 110 CL 0-1 0 111 CL 0-1 0
|
|
113 CL -1 0 0 114 CL 0 0 0 117 CL -1 0 0
|
|
119 CL 0 0-1 122 CL 0 0-1 123 CL 0 0-1
|
|
|
|
87 CL 6 2.7849 5.2627 23 NA 0 0 0 26 NA 0 0 0 27 NA 0 0 0
|
|
38 NA 0 0 0 39 NA 0 0 0 42 NA 0 0 0
|
|
87 CL 12 3.9385 7.4426 71 CL 0 0 0 72 CL 0 0 0 75 CL 0 0 0
|
|
83 CL 0 0 0 84 CL 0 0 0 86 CL 0 0 0
|
|
88 CL 0 0 0 90 CL 0 0 0 91 CL 0 0 0
|
|
99 CL 0 0 0 102 CL 0 0 0 103 CL 0 0 0
|
|
87 CL 8 4.8236 9.1153 11 NA 0 0 0 22 NA 0 0 0 24 NA 0 0 0
|
|
30 NA 0 0 0 35 NA 0 0 0 41 NA 0 0 0
|
|
43 NA 0 0 0 54 NA 0 0 0
|
|
87 CL 6 5.5698 10.5254 68 CL 0 0 0 74 CL 0 0 0 76 CL 0 0 0
|
|
98 CL 0 0 0 100 CL 0 0 0 106 CL 0 0 0
|
|
87 CL 24 6.2272 11.7678 7 NA 0 0 0 8 NA 0 0 0 10 NA 0 0 0
|
|
12 NA 0 0 0 14 NA 0 0 0 15 NA 0 0 0
|
|
19 NA 0 0 0 20 NA 0 0 0 25 NA 0 0 0
|
|
28 NA 0 0 0 29 NA 0 0 0 31 NA 0 0 0
|
|
34 NA 0 0 0 36 NA 0 0 0 37 NA 0 0 0
|
|
40 NA 0 0 0 45 NA 0 0 0 46 NA 0 0 0
|
|
50 NA 0 0 0 51 NA 0 0 0 53 NA 0 0 0
|
|
55 NA 0 0 0 57 NA 0 0 0 58 NA 0 0 0
|
|
87 CL 24 6.8216 12.8910 65 CL 0 0 0 67 CL 0 0 0 69 CL 0 0 0
|
|
70 CL 0 0 0 78 CL 0 0 0 79 CL 0 0 0
|
|
81 CL 0 0 0 82 CL 0 0 0 89 CL -1 0 0
|
|
92 CL 0 0 0 94 CL 0 0 0 96 CL 0-1 0
|
|
101 CL -1 0 0 104 CL 0 0 0 105 CL -1 0 0
|
|
107 CL 0 0 0 111 CL 0-1 0 112 CL 0-1 0
|
|
114 CL 0 0 0 115 CL 0 0 0 118 CL 0 0 0
|
|
120 CL 0 0-1 123 CL 0 0-1 124 CL 0 0-1
|
|
|
|
88 CL 6 2.7849 5.2627 24 NA 0 0 0 27 NA 0 0 0 28 NA 0 0 0
|
|
39 NA 0 0 0 40 NA 0 0 0 43 NA 0 0 0
|
|
88 CL 12 3.9385 7.4426 69 CL 0 0 0 72 CL 0 0 0 76 CL 0 0 0
|
|
81 CL 0 0 0 84 CL 0 0 0 85 CL 0 0 0
|
|
87 CL 0 0 0 91 CL 0 0 0 92 CL 0 0 0
|
|
100 CL 0 0 0 103 CL 0 0 0 104 CL 0 0 0
|
|
88 CL 8 4.8236 9.1153 12 NA 0 0 0 21 NA 1 0 0 23 NA 0 0 0
|
|
31 NA 0 0 0 36 NA 0 0 0 42 NA 0 0 0
|
|
44 NA 0 0 0 55 NA 0 0 0
|
|
88 CL 6 5.5698 10.5254 65 CL 0 0 0 73 CL 0 0 0 75 CL 0 0 0
|
|
97 CL 0 0 0 99 CL 0 0 0 107 CL 0 0 0
|
|
88 CL 24 6.2272 11.7678 5 NA 1 0 0 8 NA 0 0 0 9 NA 1 0 0
|
|
11 NA 0 0 0 15 NA 0 0 0 16 NA 0 0 0
|
|
17 NA 1 0 0 20 NA 0 0 0 25 NA 1 0 0
|
|
26 NA 0 0 0 30 NA 0 0 0 32 NA 0 0 0
|
|
33 NA 1 0 0 35 NA 0 0 0 37 NA 1 0 0
|
|
38 NA 0 0 0 46 NA 0 0 0 47 NA 0 0 0
|
|
51 NA 0 0 0 52 NA 0 0 0 54 NA 0 0 0
|
|
56 NA 0 0 0 58 NA 0 0 0 59 NA 0 0 0
|
|
88 CL 24 6.8216 12.8910 66 CL 1 0 0 68 CL 0 0 0 70 CL 1 0 0
|
|
71 CL 0 0 0 79 CL 0 0 0 80 CL 0 0 0
|
|
82 CL 1 0 0 83 CL 0 0 0 89 CL 0 0 0
|
|
90 CL 0 0 0 93 CL 0-1 0 95 CL 0 0 0
|
|
101 CL 0 0 0 102 CL 0 0 0 106 CL 0 0 0
|
|
108 CL 0 0 0 109 CL 0-1 0 112 CL 0-1 0
|
|
115 CL 0 0 0 116 CL 0 0 0 117 CL 0 0-1
|
|
119 CL 0 0 0 121 CL 0 0-1 124 CL 0 0-1
|
|
|
|
89 CL 6 2.7849 5.2627 25 NA 1 0 0 29 NA 1 0 0 32 NA 0 0 0
|
|
41 NA 1 0 0 44 NA 0 0 0 48 NA 0 0 0
|
|
89 CL 12 3.9385 7.4426 73 CL 0 0 0 74 CL 1 0 0 77 CL 0 0 0
|
|
85 CL 0 0 0 86 CL 1 0 0 90 CL 1 0 0
|
|
92 CL 0 0 0 93 CL 0 0 0 96 CL 0 0 0
|
|
101 CL 0 0 0 105 CL 0 0 0 108 CL 0 0 0
|
|
89 CL 8 4.8236 9.1153 13 NA 1 0 0 20 NA 0 1 0 26 NA 1 0 0
|
|
28 NA 0 0 0 37 NA 1 0 0 45 NA 1 0 0
|
|
47 NA 0 0 0 60 NA 0 0 0
|
|
89 CL 6 5.5698 10.5254 70 CL 1 0 0 78 CL 1 0 0 80 CL 0 0 0
|
|
102 CL 1 0 0 104 CL 0 0 0 112 CL 0 0 0
|
|
89 CL 23 6.2272 11.7678 4 NA 0 1 0 9 NA 1 0 0 10 NA 1 0 0
|
|
14 NA 1 0 0 16 NA 0 0 0 17 NA 1 1 0
|
|
19 NA 0 1 0 21 NA 1 0 0 22 NA 1 0 0
|
|
30 NA 1 0 0 31 NA 0 0 0 35 NA 0 1 0
|
|
36 NA 0 1 0 38 NA 1 0 0 40 NA 0 0 0
|
|
42 NA 1 0 0 43 NA 0 0 0 53 NA 1 0 0
|
|
56 NA 0 0 0 57 NA 1 0 0 59 NA 0 0 0
|
|
63 NA 0 0 0 64 NA 0 0 0
|
|
89 CL 1 6.2304 11.7738 1 NA 1 1 0
|
|
|
|
90 CL 6 2.7849 5.2627 26 NA 0 0 0 29 NA 0 0 0 30 NA 0 0 0
|
|
41 NA 0 0 0 42 NA 0 0 0 45 NA 0 0 0
|
|
90 CL 12 3.9385 7.4426 74 CL 0 0 0 75 CL 0 0 0 78 CL 0 0 0
|
|
86 CL 0 0 0 87 CL 0 0 0 89 CL -1 0 0
|
|
91 CL 0 0 0 93 CL -1 0 0 94 CL 0 0 0
|
|
102 CL 0 0 0 105 CL -1 0 0 106 CL 0 0 0
|
|
90 CL 8 4.8236 9.1153 14 NA 0 0 0 17 NA 0 1 0 25 NA 0 0 0
|
|
27 NA 0 0 0 38 NA 0 0 0 46 NA 0 0 0
|
|
48 NA -1 0 0 57 NA 0 0 0
|
|
90 CL 6 5.5698 10.5254 71 CL 0 0 0 77 CL -1 0 0 79 CL 0 0 0
|
|
101 CL -1 0 0 103 CL 0 0 0 109 CL -1 0 0
|
|
90 CL 1 6.2241 11.7618 1 NA 0 1 0
|
|
90 CL 23 6.2272 11.7678 2 NA 0 1 0 10 NA 0 0 0 11 NA 0 0 0
|
|
13 NA 0 0 0 15 NA 0 0 0 18 NA 0 1 0
|
|
20 NA -1 1 0 22 NA 0 0 0 23 NA 0 0 0
|
|
31 NA 0 0 0 32 NA -1 0 0 33 NA 0 1 0
|
|
36 NA -1 1 0 37 NA 0 0 0 39 NA 0 0 0
|
|
43 NA 0 0 0 44 NA -1 0 0 53 NA 0 0 0
|
|
54 NA 0 0 0 58 NA 0 0 0 60 NA -1 0 0
|
|
61 NA 0 0 0 64 NA -1 0 0
|
|
|
|
91 CL 6 2.7849 5.2627 27 NA 0 0 0 30 NA 0 0 0 31 NA 0 0 0
|
|
42 NA 0 0 0 43 NA 0 0 0 46 NA 0 0 0
|
|
91 CL 12 3.9385 7.4426 75 CL 0 0 0 76 CL 0 0 0 79 CL 0 0 0
|
|
87 CL 0 0 0 88 CL 0 0 0 90 CL 0 0 0
|
|
92 CL 0 0 0 94 CL 0 0 0 95 CL 0 0 0
|
|
103 CL 0 0 0 106 CL 0 0 0 107 CL 0 0 0
|
|
91 CL 8 4.8236 9.1153 15 NA 0 0 0 18 NA 0 1 0 26 NA 0 0 0
|
|
28 NA 0 0 0 39 NA 0 0 0 45 NA 0 0 0
|
|
47 NA 0 0 0 58 NA 0 0 0
|
|
91 CL 6 5.5698 10.5254 72 CL 0 0 0 78 CL 0 0 0 80 CL 0 0 0
|
|
102 CL 0 0 0 104 CL 0 0 0 110 CL 0 0 0
|
|
91 CL 24 6.2272 11.7678 2 NA 0 1 0 3 NA 0 1 0 11 NA 0 0 0
|
|
12 NA 0 0 0 14 NA 0 0 0 16 NA 0 0 0
|
|
17 NA 0 1 0 19 NA 0 1 0 23 NA 0 0 0
|
|
24 NA 0 0 0 29 NA 0 0 0 32 NA 0 0 0
|
|
33 NA 0 1 0 34 NA 0 1 0 38 NA 0 0 0
|
|
40 NA 0 0 0 41 NA 0 0 0 44 NA 0 0 0
|
|
54 NA 0 0 0 55 NA 0 0 0 57 NA 0 0 0
|
|
59 NA 0 0 0 61 NA 0 0 0 62 NA 0 0 0
|
|
91 CL 24 6.8216 12.8910 66 CL 0 1 0 67 CL 0 1 0 69 CL 0 0 0
|
|
71 CL 0 0 0 73 CL 0 0 0 74 CL 0 0 0
|
|
82 CL 0 1 0 84 CL 0 0 0 85 CL 0 0 0
|
|
86 CL 0 0 0 93 CL -1 0 0 96 CL 0 0 0
|
|
99 CL 0 0 0 100 CL 0 0 0 105 CL -1 0 0
|
|
108 CL 0 0 0 109 CL -1 0 0 111 CL 0 0 0
|
|
118 CL 0 0 0 119 CL 0 0 0 122 CL 0 0 0
|
|
124 CL 0 0-1 127 CL 0 0-1 128 CL 0 0-1
|
|
|
|
92 CL 6 2.7849 5.2627 28 NA 0 0 0 31 NA 0 0 0 32 NA 0 0 0
|
|
43 NA 0 0 0 44 NA 0 0 0 47 NA 0 0 0
|
|
92 CL 12 3.9385 7.4426 73 CL 0 0 0 76 CL 0 0 0 80 CL 0 0 0
|
|
85 CL 0 0 0 88 CL 0 0 0 89 CL 0 0 0
|
|
91 CL 0 0 0 95 CL 0 0 0 96 CL 0 0 0
|
|
104 CL 0 0 0 107 CL 0 0 0 108 CL 0 0 0
|
|
92 CL 8 4.8236 9.1153 16 NA 0 0 0 19 NA 0 1 0 25 NA 1 0 0
|
|
27 NA 0 0 0 40 NA 0 0 0 46 NA 0 0 0
|
|
48 NA 0 0 0 59 NA 0 0 0
|
|
92 CL 6 5.5698 10.5254 69 CL 0 0 0 77 CL 0 0 0 79 CL 0 0 0
|
|
101 CL 0 0 0 103 CL 0 0 0 111 CL 0 0 0
|
|
92 CL 24 6.2272 11.7678 3 NA 0 1 0 4 NA 0 1 0 9 NA 1 0 0
|
|
12 NA 0 0 0 13 NA 1 0 0 15 NA 0 0 0
|
|
18 NA 0 1 0 20 NA 0 1 0 21 NA 1 0 0
|
|
24 NA 0 0 0 29 NA 1 0 0 30 NA 0 0 0
|
|
34 NA 0 1 0 35 NA 0 1 0 37 NA 1 0 0
|
|
39 NA 0 0 0 41 NA 1 0 0 42 NA 0 0 0
|
|
55 NA 0 0 0 56 NA 0 0 0 58 NA 0 0 0
|
|
60 NA 0 0 0 62 NA 0 0 0 63 NA 0 0 0
|
|
92 CL 24 6.8216 12.8910 67 CL 0 1 0 68 CL 0 1 0 70 CL 1 0 0
|
|
72 CL 0 0 0 74 CL 1 0 0 75 CL 0 0 0
|
|
81 CL 0 0 0 83 CL 0 1 0 86 CL 1 0 0
|
|
87 CL 0 0 0 93 CL 0 0 0 94 CL 0 0 0
|
|
97 CL 0 0 0 100 CL 0 0 0 105 CL 0 0 0
|
|
106 CL 0 0 0 110 CL 0 0 0 112 CL 0 0 0
|
|
119 CL 0 0 0 120 CL 0 0 0 121 CL 0 0-1
|
|
123 CL 0 0 0 125 CL 0 0-1 128 CL 0 0-1
|
|
|
|
93 CL 6 2.7849 5.2627 17 NA 1 1 0 20 NA 0 1 0 29 NA 1 0 0
|
|
36 NA 0 1 0 45 NA 1 0 0 48 NA 0 0 0
|
|
93 CL 12 3.9385 7.4426 65 CL 0 1 0 77 CL 0 0 0 78 CL 1 0 0
|
|
81 CL 0 1 0 84 CL 0 1 0 89 CL 0 0 0
|
|
90 CL 1 0 0 94 CL 1 0 0 96 CL 0 0 0
|
|
105 CL 0 0 0 109 CL 0 0 0 112 CL 0 0 0
|
|
93 CL 7 4.8236 9.1153 24 NA 0 1 0 30 NA 1 0 0 32 NA 0 0 0
|
|
33 NA 1 1 0 35 NA 0 1 0 41 NA 1 0 0
|
|
64 NA 0 0 0
|
|
93 CL 1 4.8236 9.1153 1 NA 1 1 0
|
|
93 CL 6 5.5698 10.5254 66 CL 1 1 0 68 CL 0 1 0 74 CL 1 0 0
|
|
100 CL 0 1 0 106 CL 1 0 0 108 CL 0 0 0
|
|
93 CL 24 6.2272 11.7678 2 NA 1 1 0 4 NA 0 1 0 5 NA 1 1 0
|
|
8 NA 0 1 0 13 NA 1 0 0 14 NA 1 0 0
|
|
18 NA 1 1 0 19 NA 0 1 0 21 NA 1 1 0
|
|
23 NA 0 1 0 25 NA 1 0 0 26 NA 1 0 0
|
|
39 NA 0 1 0 40 NA 0 1 0 42 NA 1 0 0
|
|
44 NA 0 0 0 46 NA 1 0 0 47 NA 0 0 0
|
|
51 NA 0 1 0 52 NA 0 1 0 57 NA 1 0 0
|
|
60 NA 0 0 0 61 NA 1 0 0 63 NA 0 0 0
|
|
|
|
94 CL 6 2.7849 5.2627 17 NA 0 1 0 18 NA 0 1 0 30 NA 0 0 0
|
|
33 NA 0 1 0 45 NA 0 0 0 46 NA 0 0 0
|
|
94 CL 12 3.9385 7.4426 66 CL 0 1 0 78 CL 0 0 0 79 CL 0 0 0
|
|
81 CL -1 1 0 82 CL 0 1 0 90 CL 0 0 0
|
|
91 CL 0 0 0 93 CL -1 0 0 95 CL 0 0 0
|
|
106 CL 0 0 0 109 CL -1 0 0 110 CL 0 0 0
|
|
94 CL 8 4.8236 9.1153 2 NA 0 1 0 21 NA 0 1 0 29 NA 0 0 0
|
|
31 NA 0 0 0 34 NA 0 1 0 36 NA -1 1 0
|
|
42 NA 0 0 0 61 NA 0 0 0
|
|
94 CL 6 5.5698 10.5254 65 CL -1 1 0 67 CL 0 1 0 75 CL 0 0 0
|
|
97 CL -1 1 0 105 CL -1 0 0 107 CL 0 0 0
|
|
94 CL 1 6.2209 11.7558 1 NA 0 1 0
|
|
94 CL 23 6.2272 11.7678 3 NA 0 1 0 5 NA 0 1 0 6 NA 0 1 0
|
|
14 NA 0 0 0 15 NA 0 0 0 19 NA 0 1 0
|
|
20 NA -1 1 0 22 NA 0 1 0 24 NA -1 1 0
|
|
26 NA 0 0 0 27 NA 0 0 0 37 NA 0 1 0
|
|
40 NA -1 1 0 41 NA 0 0 0 43 NA 0 0 0
|
|
47 NA 0 0 0 48 NA -1 0 0 49 NA 0 1 0
|
|
52 NA -1 1 0 57 NA 0 0 0 58 NA 0 0 0
|
|
62 NA 0 0 0 64 NA -1 0 0
|
|
|
|
95 CL 6 2.7849 5.2627 18 NA 0 1 0 19 NA 0 1 0 31 NA 0 0 0
|
|
34 NA 0 1 0 46 NA 0 0 0 47 NA 0 0 0
|
|
95 CL 12 3.9385 7.4426 67 CL 0 1 0 79 CL 0 0 0 80 CL 0 0 0
|
|
82 CL 0 1 0 83 CL 0 1 0 91 CL 0 0 0
|
|
92 CL 0 0 0 94 CL 0 0 0 96 CL 0 0 0
|
|
107 CL 0 0 0 110 CL 0 0 0 111 CL 0 0 0
|
|
95 CL 8 4.8236 9.1153 3 NA 0 1 0 22 NA 0 1 0 30 NA 0 0 0
|
|
32 NA 0 0 0 33 NA 0 1 0 35 NA 0 1 0
|
|
43 NA 0 0 0 62 NA 0 0 0
|
|
95 CL 6 5.5698 10.5254 66 CL 0 1 0 68 CL 0 1 0 76 CL 0 0 0
|
|
98 CL 0 1 0 106 CL 0 0 0 108 CL 0 0 0
|
|
95 CL 24 6.2272 11.7678 2 NA 0 1 0 4 NA 0 1 0 6 NA 0 1 0
|
|
7 NA 0 1 0 15 NA 0 0 0 16 NA 0 0 0
|
|
17 NA 0 1 0 20 NA 0 1 0 21 NA 0 1 0
|
|
23 NA 0 1 0 27 NA 0 0 0 28 NA 0 0 0
|
|
37 NA 0 1 0 38 NA 0 1 0 42 NA 0 0 0
|
|
44 NA 0 0 0 45 NA 0 0 0 48 NA 0 0 0
|
|
49 NA 0 1 0 50 NA 0 1 0 58 NA 0 0 0
|
|
59 NA 0 0 0 61 NA 0 0 0 63 NA 0 0 0
|
|
95 CL 24 6.8216 12.8910 70 CL 0 1 0 71 CL 0 1 0 73 CL 0 0 0
|
|
75 CL 0 0 0 77 CL 0 0 0 78 CL 0 0 0
|
|
81 CL -1 1 0 84 CL 0 1 0 86 CL 0 1 0
|
|
88 CL 0 0 0 89 CL 0 0 0 90 CL 0 0 0
|
|
97 CL -1 1 0 99 CL 0 1 0 103 CL 0 0 0
|
|
104 CL 0 0 0 109 CL -1 0 0 112 CL 0 0 0
|
|
115 CL 0 1-1 116 CL 0 1-1 122 CL 0 0 0
|
|
123 CL 0 0 0 126 CL 0 0 0 128 CL 0 0-1
|
|
|
|
96 CL 6 2.7849 5.2627 19 NA 0 1 0 20 NA 0 1 0 32 NA 0 0 0
|
|
35 NA 0 1 0 47 NA 0 0 0 48 NA 0 0 0
|
|
96 CL 12 3.9385 7.4426 68 CL 0 1 0 77 CL 0 0 0 80 CL 0 0 0
|
|
83 CL 0 1 0 84 CL 0 1 0 89 CL 0 0 0
|
|
92 CL 0 0 0 93 CL 0 0 0 95 CL 0 0 0
|
|
108 CL 0 0 0 111 CL 0 0 0 112 CL 0 0 0
|
|
96 CL 8 4.8236 9.1153 4 NA 0 1 0 23 NA 0 1 0 29 NA 1 0 0
|
|
31 NA 0 0 0 34 NA 0 1 0 36 NA 0 1 0
|
|
44 NA 0 0 0 63 NA 0 0 0
|
|
96 CL 6 5.5698 10.5254 65 CL 0 1 0 67 CL 0 1 0 73 CL 0 0 0
|
|
99 CL 0 1 0 105 CL 0 0 0 107 CL 0 0 0
|
|
96 CL 23 6.2272 11.7678 3 NA 0 1 0 7 NA 0 1 0 8 NA 0 1 0
|
|
13 NA 1 0 0 16 NA 0 0 0 17 NA 1 1 0
|
|
18 NA 0 1 0 22 NA 0 1 0 24 NA 0 1 0
|
|
25 NA 1 0 0 28 NA 0 0 0 38 NA 0 1 0
|
|
39 NA 0 1 0 41 NA 1 0 0 43 NA 0 0 0
|
|
45 NA 1 0 0 46 NA 0 0 0 50 NA 0 1 0
|
|
51 NA 0 1 0 59 NA 0 0 0 60 NA 0 0 0
|
|
62 NA 0 0 0 64 NA 0 0 0
|
|
96 CL 1 6.2336 11.7798 1 NA 1 1 0
|
|
|
|
97 CL 6 2.7849 5.2627 33 NA 1 0 0 37 NA 1 0 0 40 NA 0 0 0
|
|
49 NA 1 0 0 52 NA 0 0 0 56 NA 0 0 0
|
|
97 CL 12 3.9385 7.4426 81 CL 0 0 0 82 CL 1 0 0 85 CL 0 0 0
|
|
98 CL 1 0 0 100 CL 0 0 0 101 CL 0 0 0
|
|
104 CL 0 0 0 109 CL 0-1 0 110 CL 1-1 0
|
|
113 CL 0 0 0 116 CL 0 0 0 125 CL 0-1 0
|
|
97 CL 8 4.8236 9.1153 4 NA 0 0 1 21 NA 1 0 0 34 NA 1 0 0
|
|
36 NA 0 0 0 44 NA 0 0 0 53 NA 1 0 0
|
|
55 NA 0 0 0 61 NA 1-1 0
|
|
97 CL 6 5.5698 10.5254 86 CL 1 0 0 88 CL 0 0 0 94 CL 1-1 0
|
|
120 CL 0 0 0 126 CL 1-1 0 128 CL 0-1 0
|
|
97 CL 23 6.2272 11.7678 3 NA 0 0 1 7 NA 0 0 1 8 NA 0 0 1
|
|
13 NA 1-1 1 16 NA 0-1 1 17 NA 1 0 0
|
|
18 NA 1 0 0 22 NA 1 0 0 24 NA 0 0 0
|
|
25 NA 1 0 0 28 NA 0 0 0 38 NA 1 0 0
|
|
39 NA 0 0 0 41 NA 1 0 0 43 NA 0 0 0
|
|
45 NA 1-1 0 46 NA 1-1 0 50 NA 1 0 0
|
|
51 NA 0 0 0 59 NA 0 0 0 60 NA 0 0 0
|
|
62 NA 1-1 0 64 NA 0-1 0
|
|
97 CL 1 6.2336 11.7798 1 NA 1 0 1
|
|
|
|
98 CL 6 2.7849 5.2627 34 NA 0 0 0 37 NA 0 0 0 38 NA 0 0 0
|
|
49 NA 0 0 0 50 NA 0 0 0 53 NA 0 0 0
|
|
98 CL 12 3.9385 7.4426 82 CL 0 0 0 83 CL 0 0 0 86 CL 0 0 0
|
|
97 CL -1 0 0 99 CL 0 0 0 101 CL -1 0 0
|
|
102 CL 0 0 0 110 CL 0-1 0 111 CL 0-1 0
|
|
113 CL -1 0 0 114 CL 0 0 0 126 CL 0-1 0
|
|
98 CL 7 4.8236 9.1153 22 NA 0 0 0 33 NA 0 0 0 35 NA 0 0 0
|
|
41 NA 0 0 0 54 NA 0 0 0 56 NA -1 0 0
|
|
62 NA 0-1 0
|
|
98 CL 1 4.8236 9.1153 1 NA 0 0 1
|
|
98 CL 6 5.5698 10.5254 85 CL -1 0 0 87 CL 0 0 0 95 CL 0-1 0
|
|
117 CL -1 0 0 125 CL -1-1 0 127 CL 0-1 0
|
|
98 CL 24 6.2272 11.7678 2 NA 0 0 1 4 NA -1 0 1 5 NA 0 0 1
|
|
8 NA -1 0 1 13 NA 0-1 1 14 NA 0-1 1
|
|
18 NA 0 0 0 19 NA 0 0 0 21 NA 0 0 0
|
|
23 NA 0 0 0 25 NA 0 0 0 26 NA 0 0 0
|
|
39 NA 0 0 0 40 NA -1 0 0 42 NA 0 0 0
|
|
44 NA -1 0 0 46 NA 0-1 0 47 NA 0-1 0
|
|
51 NA 0 0 0 52 NA -1 0 0 57 NA 0 0 0
|
|
60 NA -1 0 0 61 NA 0-1 0 63 NA 0-1 0
|
|
|
|
99 CL 6 2.7849 5.2627 35 NA 0 0 0 38 NA 0 0 0 39 NA 0 0 0
|
|
50 NA 0 0 0 51 NA 0 0 0 54 NA 0 0 0
|
|
99 CL 12 3.9385 7.4426 83 CL 0 0 0 84 CL 0 0 0 87 CL 0 0 0
|
|
98 CL 0 0 0 100 CL 0 0 0 102 CL 0 0 0
|
|
103 CL 0 0 0 111 CL 0-1 0 112 CL 0-1 0
|
|
114 CL 0 0 0 115 CL 0 0 0 127 CL 0-1 0
|
|
99 CL 8 4.8236 9.1153 2 NA 0 0 1 23 NA 0 0 0 34 NA 0 0 0
|
|
36 NA 0 0 0 42 NA 0 0 0 53 NA 0 0 0
|
|
55 NA 0 0 0 63 NA 0-1 0
|
|
99 CL 6 5.5698 10.5254 86 CL 0 0 0 88 CL 0 0 0 96 CL 0-1 0
|
|
118 CL 0 0 0 126 CL 0-1 0 128 CL 0-1 0
|
|
99 CL 1 6.2209 11.7558 1 NA 0 0 1
|
|
99 CL 23 6.2272 11.7678 3 NA 0 0 1 5 NA 0 0 1 6 NA 0 0 1
|
|
14 NA 0-1 1 15 NA 0-1 1 19 NA 0 0 0
|
|
20 NA 0 0 0 22 NA 0 0 0 24 NA 0 0 0
|
|
26 NA 0 0 0 27 NA 0 0 0 37 NA 0 0 0
|
|
40 NA 0 0 0 41 NA 0 0 0 43 NA 0 0 0
|
|
47 NA 0-1 0 48 NA 0-1 0 49 NA 0 0 0
|
|
52 NA 0 0 0 57 NA 0 0 0 58 NA 0 0 0
|
|
62 NA 0-1 0 64 NA 0-1 0
|
|
|
|
100 CL 6 2.7849 5.2627 36 NA 0 0 0 39 NA 0 0 0 40 NA 0 0 0
|
|
51 NA 0 0 0 52 NA 0 0 0 55 NA 0 0 0
|
|
100 CL 12 3.9385 7.4426 81 CL 0 0 0 84 CL 0 0 0 88 CL 0 0 0
|
|
97 CL 0 0 0 99 CL 0 0 0 103 CL 0 0 0
|
|
104 CL 0 0 0 109 CL 0-1 0 112 CL 0-1 0
|
|
115 CL 0 0 0 116 CL 0 0 0 128 CL 0-1 0
|
|
100 CL 8 4.8236 9.1153 3 NA 0 0 1 24 NA 0 0 0 33 NA 1 0 0
|
|
35 NA 0 0 0 43 NA 0 0 0 54 NA 0 0 0
|
|
56 NA 0 0 0 64 NA 0-1 0
|
|
100 CL 6 5.5698 10.5254 85 CL 0 0 0 87 CL 0 0 0 93 CL 0-1 0
|
|
119 CL 0 0 0 125 CL 0-1 0 127 CL 0-1 0
|
|
100 CL 24 6.2272 11.7678 2 NA 0 0 1 4 NA 0 0 1 6 NA 0 0 1
|
|
7 NA 0 0 1 15 NA 0-1 1 16 NA 0-1 1
|
|
17 NA 1 0 0 20 NA 0 0 0 21 NA 1 0 0
|
|
23 NA 0 0 0 27 NA 0 0 0 28 NA 0 0 0
|
|
37 NA 1 0 0 38 NA 0 0 0 42 NA 0 0 0
|
|
44 NA 0 0 0 45 NA 1-1 0 48 NA 0-1 0
|
|
49 NA 1 0 0 50 NA 0 0 0 58 NA 0 0 0
|
|
59 NA 0 0 0 61 NA 1-1 0 63 NA 0-1 0
|
|
100 CL 24 6.8216 12.8910 65 CL 0 0 0 67 CL 0 0 1 69 CL 0 0 0
|
|
72 CL 0 0 0 79 CL 0-1 1 80 CL 0-1 1
|
|
82 CL 1 0 0 83 CL 0 0 0 91 CL 0 0 0
|
|
92 CL 0 0 0 94 CL 1-1 0 96 CL 0-1 0
|
|
101 CL 0 0 0 102 CL 0 0 0 105 CL 0-1 0
|
|
107 CL 0 0 0 110 CL 1-1 0 111 CL 0-1 0
|
|
113 CL 0 0 0 114 CL 0 0 0 118 CL 0 0 0
|
|
120 CL 0 0 0 121 CL 0-1 0 124 CL 0-1 0
|
|
|
|
101 CL 6 2.7849 5.2627 37 NA 1 0 0 41 NA 1 0 0 44 NA 0 0 0
|
|
53 NA 1 0 0 56 NA 0 0 0 60 NA 0 0 0
|
|
101 CL 12 3.9385 7.4426 85 CL 0 0 0 86 CL 1 0 0 89 CL 0 0 0
|
|
97 CL 0 0 0 98 CL 1 0 0 102 CL 1 0 0
|
|
104 CL 0 0 0 105 CL 0 0 0 108 CL 0 0 0
|
|
113 CL 0 0 0 117 CL 0 0 0 120 CL 0 0 0
|
|
101 CL 8 4.8236 9.1153 8 NA 0 0 1 25 NA 1 0 0 38 NA 1 0 0
|
|
40 NA 0 0 0 48 NA 0 0 0 49 NA 1 0 0
|
|
57 NA 1 0 0 59 NA 0 0 0
|
|
101 CL 6 5.5698 10.5254 82 CL 1 0 0 90 CL 1 0 0 92 CL 0 0 0
|
|
114 CL 1 0 0 116 CL 0 0 0 124 CL 0 0 0
|
|
101 CL 23 6.2272 11.7678 4 NA 0 0 1 5 NA 1 0 1 7 NA 0 0 1
|
|
11 NA 0 0 1 12 NA 0 0 1 21 NA 1 0 0
|
|
22 NA 1 0 0 26 NA 1 0 0 28 NA 0 0 0
|
|
29 NA 1 0 0 32 NA 0 0 0 33 NA 1 0 0
|
|
34 NA 1 0 0 42 NA 1 0 0 43 NA 0 0 0
|
|
45 NA 1 0 0 47 NA 0 0 0 50 NA 1 0 0
|
|
52 NA 0 0 0 54 NA 1 0 0 55 NA 0 0 0
|
|
63 NA 0 0 0 64 NA 0 0 0
|
|
101 CL 1 6.2304 11.7738 1 NA 1 0 1
|
|
|
|
102 CL 6 2.7849 5.2627 38 NA 0 0 0 41 NA 0 0 0 42 NA 0 0 0
|
|
53 NA 0 0 0 54 NA 0 0 0 57 NA 0 0 0
|
|
102 CL 12 3.9385 7.4426 86 CL 0 0 0 87 CL 0 0 0 90 CL 0 0 0
|
|
98 CL 0 0 0 99 CL 0 0 0 101 CL -1 0 0
|
|
103 CL 0 0 0 105 CL -1 0 0 106 CL 0 0 0
|
|
114 CL 0 0 0 117 CL -1 0 0 118 CL 0 0 0
|
|
102 CL 8 4.8236 9.1153 5 NA 0 0 1 26 NA 0 0 0 37 NA 0 0 0
|
|
39 NA 0 0 0 45 NA 0 0 0 50 NA 0 0 0
|
|
58 NA 0 0 0 60 NA -1 0 0
|
|
102 CL 6 5.5698 10.5254 83 CL 0 0 0 89 CL -1 0 0 91 CL 0 0 0
|
|
113 CL -1 0 0 115 CL 0 0 0 121 CL -1 0 0
|
|
102 CL 1 6.2241 11.7618 1 NA 0 0 1
|
|
102 CL 23 6.2272 11.7678 2 NA 0 0 1 6 NA 0 0 1 8 NA -1 0 1
|
|
9 NA 0 0 1 12 NA -1 0 1 22 NA 0 0 0
|
|
23 NA 0 0 0 25 NA 0 0 0 27 NA 0 0 0
|
|
29 NA 0 0 0 30 NA 0 0 0 34 NA 0 0 0
|
|
35 NA 0 0 0 43 NA 0 0 0 44 NA -1 0 0
|
|
46 NA 0 0 0 48 NA -1 0 0 49 NA 0 0 0
|
|
51 NA 0 0 0 55 NA 0 0 0 56 NA -1 0 0
|
|
61 NA 0 0 0 64 NA -1 0 0
|
|
|
|
103 CL 6 2.7849 5.2627 39 NA 0 0 0 42 NA 0 0 0 43 NA 0 0 0
|
|
54 NA 0 0 0 55 NA 0 0 0 58 NA 0 0 0
|
|
103 CL 12 3.9385 7.4426 87 CL 0 0 0 88 CL 0 0 0 91 CL 0 0 0
|
|
99 CL 0 0 0 100 CL 0 0 0 102 CL 0 0 0
|
|
104 CL 0 0 0 106 CL 0 0 0 107 CL 0 0 0
|
|
115 CL 0 0 0 118 CL 0 0 0 119 CL 0 0 0
|
|
103 CL 8 4.8236 9.1153 6 NA 0 0 1 27 NA 0 0 0 38 NA 0 0 0
|
|
40 NA 0 0 0 46 NA 0 0 0 51 NA 0 0 0
|
|
57 NA 0 0 0 59 NA 0 0 0
|
|
103 CL 6 5.5698 10.5254 84 CL 0 0 0 90 CL 0 0 0 92 CL 0 0 0
|
|
114 CL 0 0 0 116 CL 0 0 0 122 CL 0 0 0
|
|
103 CL 24 6.2272 11.7678 2 NA 0 0 1 3 NA 0 0 1 5 NA 0 0 1
|
|
7 NA 0 0 1 9 NA 0 0 1 10 NA 0 0 1
|
|
23 NA 0 0 0 24 NA 0 0 0 26 NA 0 0 0
|
|
28 NA 0 0 0 30 NA 0 0 0 31 NA 0 0 0
|
|
35 NA 0 0 0 36 NA 0 0 0 41 NA 0 0 0
|
|
44 NA 0 0 0 45 NA 0 0 0 47 NA 0 0 0
|
|
50 NA 0 0 0 52 NA 0 0 0 53 NA 0 0 0
|
|
56 NA 0 0 0 61 NA 0 0 0 62 NA 0 0 0
|
|
103 CL 24 6.8216 12.8910 66 CL 0 0 1 67 CL 0 0 1 70 CL 0 0 1
|
|
72 CL 0 0 0 75 CL 0 0 0 76 CL 0 0 0
|
|
81 CL 0 0 0 83 CL 0 0 0 85 CL 0 0 0
|
|
86 CL 0 0 0 94 CL 0 0 0 95 CL 0 0 0
|
|
97 CL 0 0 0 98 CL 0 0 0 105 CL -1 0 0
|
|
108 CL 0 0 0 110 CL 0 0 0 112 CL 0-1 0
|
|
117 CL -1 0 0 120 CL 0 0 0 121 CL -1 0 0
|
|
123 CL 0 0 0 127 CL 0-1 0 128 CL 0-1 0
|
|
|
|
104 CL 6 2.7849 5.2627 40 NA 0 0 0 43 NA 0 0 0 44 NA 0 0 0
|
|
55 NA 0 0 0 56 NA 0 0 0 59 NA 0 0 0
|
|
104 CL 12 3.9385 7.4426 85 CL 0 0 0 88 CL 0 0 0 92 CL 0 0 0
|
|
97 CL 0 0 0 100 CL 0 0 0 101 CL 0 0 0
|
|
103 CL 0 0 0 107 CL 0 0 0 108 CL 0 0 0
|
|
116 CL 0 0 0 119 CL 0 0 0 120 CL 0 0 0
|
|
104 CL 8 4.8236 9.1153 7 NA 0 0 1 28 NA 0 0 0 37 NA 1 0 0
|
|
39 NA 0 0 0 47 NA 0 0 0 52 NA 0 0 0
|
|
58 NA 0 0 0 60 NA 0 0 0
|
|
104 CL 6 5.5698 10.5254 81 CL 0 0 0 89 CL 0 0 0 91 CL 0 0 0
|
|
113 CL 0 0 0 115 CL 0 0 0 123 CL 0 0 0
|
|
104 CL 24 6.2272 11.7678 3 NA 0 0 1 4 NA 0 0 1 6 NA 0 0 1
|
|
8 NA 0 0 1 10 NA 0 0 1 11 NA 0 0 1
|
|
21 NA 1 0 0 24 NA 0 0 0 25 NA 1 0 0
|
|
27 NA 0 0 0 31 NA 0 0 0 32 NA 0 0 0
|
|
33 NA 1 0 0 36 NA 0 0 0 41 NA 1 0 0
|
|
42 NA 0 0 0 46 NA 0 0 0 48 NA 0 0 0
|
|
49 NA 1 0 0 51 NA 0 0 0 53 NA 1 0 0
|
|
54 NA 0 0 0 62 NA 0 0 0 63 NA 0 0 0
|
|
104 CL 24 6.8216 12.8910 67 CL 0 0 1 68 CL 0 0 1 69 CL 0 0 0
|
|
71 CL 0 0 1 73 CL 0 0 0 76 CL 0 0 0
|
|
82 CL 1 0 0 84 CL 0 0 0 86 CL 1 0 0
|
|
87 CL 0 0 0 95 CL 0 0 0 96 CL 0 0 0
|
|
98 CL 1 0 0 99 CL 0 0 0 105 CL 0 0 0
|
|
106 CL 0 0 0 109 CL 0-1 0 111 CL 0 0 0
|
|
117 CL 0 0 0 118 CL 0 0 0 122 CL 0 0 0
|
|
124 CL 0 0 0 125 CL 0-1 0 128 CL 0-1 0
|
|
|
|
105 CL 6 2.7849 5.2627 41 NA 1 0 0 45 NA 1 0 0 48 NA 0 0 0
|
|
57 NA 1 0 0 60 NA 0 0 0 64 NA 0 0 0
|
|
105 CL 12 3.9385 7.4426 89 CL 0 0 0 90 CL 1 0 0 93 CL 0 0 0
|
|
101 CL 0 0 0 102 CL 1 0 0 106 CL 1 0 0
|
|
108 CL 0 0 0 109 CL 0 0 0 112 CL 0 0 0
|
|
117 CL 0 0 0 121 CL 0 0 0 124 CL 0 0 0
|
|
105 CL 8 4.8236 9.1153 12 NA 0 0 1 29 NA 1 0 0 36 NA 0 1 0
|
|
42 NA 1 0 0 44 NA 0 0 0 53 NA 1 0 0
|
|
61 NA 1 0 0 63 NA 0 0 0
|
|
105 CL 6 5.5698 10.5254 86 CL 1 0 0 94 CL 1 0 0 96 CL 0 0 0
|
|
118 CL 1 0 0 120 CL 0 0 0 128 CL 0 0 0
|
|
105 CL 24 6.2272 11.7678 5 NA 1 0 1 8 NA 0 0 1 9 NA 1 0 1
|
|
11 NA 0 0 1 15 NA 0 0 1 16 NA 0 0 1
|
|
17 NA 1 1 0 20 NA 0 1 0 25 NA 1 0 0
|
|
26 NA 1 0 0 30 NA 1 0 0 32 NA 0 0 0
|
|
33 NA 1 1 0 35 NA 0 1 0 37 NA 1 0 0
|
|
38 NA 1 0 0 46 NA 1 0 0 47 NA 0 0 0
|
|
51 NA 0 1 0 52 NA 0 1 0 54 NA 1 0 0
|
|
56 NA 0 0 0 58 NA 1 0 0 59 NA 0 0 0
|
|
105 CL 24 6.8216 12.8910 69 CL 0 0 1 72 CL 0 0 1 74 CL 1 0 0
|
|
76 CL 0 0 1 77 CL 0 0 0 78 CL 1 0 0
|
|
81 CL 0 1 0 84 CL 0 1 0 85 CL 0 0 0
|
|
87 CL 1 0 0 91 CL 1 0 0 92 CL 0 0 0
|
|
98 CL 1 0 0 100 CL 0 1 0 103 CL 1 0 0
|
|
104 CL 0 0 0 110 CL 1 0 0 111 CL 0 0 0
|
|
113 CL 0 0 0 114 CL 1 0 0 122 CL 1 0 0
|
|
123 CL 0 0 0 125 CL 0 0 0 127 CL 0 0 0
|
|
|
|
106 CL 6 2.7849 5.2627 42 NA 0 0 0 45 NA 0 0 0 46 NA 0 0 0
|
|
57 NA 0 0 0 58 NA 0 0 0 61 NA 0 0 0
|
|
106 CL 12 3.9385 7.4426 90 CL 0 0 0 91 CL 0 0 0 94 CL 0 0 0
|
|
102 CL 0 0 0 103 CL 0 0 0 105 CL -1 0 0
|
|
107 CL 0 0 0 109 CL -1 0 0 110 CL 0 0 0
|
|
118 CL 0 0 0 121 CL -1 0 0 122 CL 0 0 0
|
|
106 CL 8 4.8236 9.1153 9 NA 0 0 1 30 NA 0 0 0 33 NA 0 1 0
|
|
41 NA 0 0 0 43 NA 0 0 0 54 NA 0 0 0
|
|
62 NA 0 0 0 64 NA -1 0 0
|
|
106 CL 6 5.5698 10.5254 87 CL 0 0 0 93 CL -1 0 0 95 CL 0 0 0
|
|
117 CL -1 0 0 119 CL 0 0 0 125 CL -1 0 0
|
|
106 CL 24 6.2272 11.7678 5 NA 0 0 1 6 NA 0 0 1 10 NA 0 0 1
|
|
12 NA -1 0 1 13 NA 0 0 1 16 NA -1 0 1
|
|
17 NA 0 1 0 18 NA 0 1 0 26 NA 0 0 0
|
|
27 NA 0 0 0 29 NA 0 0 0 31 NA 0 0 0
|
|
34 NA 0 1 0 36 NA -1 1 0 38 NA 0 0 0
|
|
39 NA 0 0 0 47 NA 0 0 0 48 NA -1 0 0
|
|
49 NA 0 1 0 52 NA -1 1 0 53 NA 0 0 0
|
|
55 NA 0 0 0 59 NA 0 0 0 60 NA -1 0 0
|
|
106 CL 24 6.8216 12.8910 69 CL -1 0 1 70 CL 0 0 1 73 CL -1 0 1
|
|
75 CL 0 0 0 78 CL 0 0 0 79 CL 0 0 0
|
|
81 CL -1 1 0 82 CL 0 1 0 86 CL 0 0 0
|
|
88 CL 0 0 0 89 CL -1 0 0 92 CL 0 0 0
|
|
97 CL -1 1 0 99 CL 0 0 0 101 CL -1 0 0
|
|
104 CL 0 0 0 111 CL 0 0 0 112 CL -1 0 0
|
|
114 CL 0 0 0 115 CL 0 0 0 123 CL 0 0 0
|
|
124 CL -1 0 0 126 CL 0 0 0 128 CL -1 0 0
|
|
|
|
107 CL 6 2.7849 5.2627 43 NA 0 0 0 46 NA 0 0 0 47 NA 0 0 0
|
|
58 NA 0 0 0 59 NA 0 0 0 62 NA 0 0 0
|
|
107 CL 12 3.9385 7.4426 91 CL 0 0 0 92 CL 0 0 0 95 CL 0 0 0
|
|
103 CL 0 0 0 104 CL 0 0 0 106 CL 0 0 0
|
|
108 CL 0 0 0 110 CL 0 0 0 111 CL 0 0 0
|
|
119 CL 0 0 0 122 CL 0 0 0 123 CL 0 0 0
|
|
107 CL 8 4.8236 9.1153 10 NA 0 0 1 31 NA 0 0 0 34 NA 0 1 0
|
|
42 NA 0 0 0 44 NA 0 0 0 55 NA 0 0 0
|
|
61 NA 0 0 0 63 NA 0 0 0
|
|
107 CL 6 5.5698 10.5254 88 CL 0 0 0 94 CL 0 0 0 96 CL 0 0 0
|
|
118 CL 0 0 0 120 CL 0 0 0 126 CL 0 0 0
|
|
107 CL 24 6.2272 11.7678 6 NA 0 0 1 7 NA 0 0 1 9 NA 0 0 1
|
|
11 NA 0 0 1 13 NA 0 0 1 14 NA 0 0 1
|
|
18 NA 0 1 0 19 NA 0 1 0 27 NA 0 0 0
|
|
28 NA 0 0 0 30 NA 0 0 0 32 NA 0 0 0
|
|
33 NA 0 1 0 35 NA 0 1 0 39 NA 0 0 0
|
|
40 NA 0 0 0 45 NA 0 0 0 48 NA 0 0 0
|
|
49 NA 0 1 0 50 NA 0 1 0 54 NA 0 0 0
|
|
56 NA 0 0 0 57 NA 0 0 0 60 NA 0 0 0
|
|
107 CL 24 6.8216 12.8910 70 CL 0 0 1 71 CL 0 0 1 74 CL 0 0 1
|
|
76 CL 0 0 0 79 CL 0 0 0 80 CL 0 0 0
|
|
82 CL 0 1 0 83 CL 0 1 0 85 CL 0 0 0
|
|
87 CL 0 0 0 89 CL 0 0 0 90 CL 0 0 0
|
|
98 CL 0 1 0 100 CL 0 0 0 101 CL 0 0 0
|
|
102 CL 0 0 0 109 CL -1 0 0 112 CL 0 0 0
|
|
115 CL 0 0 0 116 CL 0 0 0 121 CL -1 0 0
|
|
124 CL 0 0 0 125 CL -1 0 0 127 CL 0 0 0
|
|
|
|
108 CL 6 2.7849 5.2627 44 NA 0 0 0 47 NA 0 0 0 48 NA 0 0 0
|
|
59 NA 0 0 0 60 NA 0 0 0 63 NA 0 0 0
|
|
108 CL 12 3.9385 7.4426 89 CL 0 0 0 92 CL 0 0 0 96 CL 0 0 0
|
|
101 CL 0 0 0 104 CL 0 0 0 105 CL 0 0 0
|
|
107 CL 0 0 0 111 CL 0 0 0 112 CL 0 0 0
|
|
120 CL 0 0 0 123 CL 0 0 0 124 CL 0 0 0
|
|
108 CL 8 4.8236 9.1153 11 NA 0 0 1 32 NA 0 0 0 35 NA 0 1 0
|
|
41 NA 1 0 0 43 NA 0 0 0 56 NA 0 0 0
|
|
62 NA 0 0 0 64 NA 0 0 0
|
|
108 CL 6 5.5698 10.5254 85 CL 0 0 0 93 CL 0 0 0 95 CL 0 0 0
|
|
117 CL 0 0 0 119 CL 0 0 0 127 CL 0 0 0
|
|
108 CL 24 6.2272 11.7678 7 NA 0 0 1 8 NA 0 0 1 10 NA 0 0 1
|
|
12 NA 0 0 1 14 NA 0 0 1 15 NA 0 0 1
|
|
19 NA 0 1 0 20 NA 0 1 0 25 NA 1 0 0
|
|
28 NA 0 0 0 29 NA 1 0 0 31 NA 0 0 0
|
|
34 NA 0 1 0 36 NA 0 1 0 37 NA 1 0 0
|
|
40 NA 0 0 0 45 NA 1 0 0 46 NA 0 0 0
|
|
50 NA 0 1 0 51 NA 0 1 0 53 NA 1 0 0
|
|
55 NA 0 0 0 57 NA 1 0 0 58 NA 0 0 0
|
|
108 CL 24 6.8216 12.8910 71 CL 0 0 1 72 CL 0 0 1 73 CL 0 0 0
|
|
75 CL 0 0 1 77 CL 0 0 0 80 CL 0 0 0
|
|
83 CL 0 1 0 84 CL 0 1 0 86 CL 1 0 0
|
|
88 CL 0 0 0 90 CL 1 0 0 91 CL 0 0 0
|
|
97 CL 0 0 0 99 CL 0 1 0 102 CL 1 0 0
|
|
103 CL 0 0 0 109 CL 0 0 0 110 CL 0 0 0
|
|
113 CL 0 0 0 116 CL 0 0 0 121 CL 0 0 0
|
|
122 CL 0 0 0 126 CL 0 0 0 128 CL 0 0 0
|
|
|
|
109 CL 6 2.7849 5.2627 33 NA 1 1 0 36 NA 0 1 0 45 NA 1 0 0
|
|
52 NA 0 1 0 61 NA 1 0 0 64 NA 0 0 0
|
|
109 CL 12 3.9385 7.4426 81 CL 0 1 0 93 CL 0 0 0 94 CL 1 0 0
|
|
97 CL 0 1 0 100 CL 0 1 0 105 CL 0 0 0
|
|
106 CL 1 0 0 110 CL 1 0 0 112 CL 0 0 0
|
|
121 CL 0 0 0 125 CL 0 0 0 128 CL 0 0 0
|
|
109 CL 8 4.8236 9.1153 16 NA 0 0 1 17 NA 1 1 0 40 NA 0 1 0
|
|
46 NA 1 0 0 48 NA 0 0 0 49 NA 1 1 0
|
|
51 NA 0 1 0 57 NA 1 0 0
|
|
109 CL 6 5.5698 10.5254 82 CL 1 1 0 84 CL 0 1 0 90 CL 1 0 0
|
|
116 CL 0 1 0 122 CL 1 0 0 124 CL 0 0 0
|
|
109 CL 24 6.2272 11.7678 3 NA 0 1 1 4 NA 0 1 1 9 NA 1 0 1
|
|
12 NA 0 0 1 13 NA 1 0 1 15 NA 0 0 1
|
|
18 NA 1 1 0 20 NA 0 1 0 21 NA 1 1 0
|
|
24 NA 0 1 0 29 NA 1 0 0 30 NA 1 0 0
|
|
34 NA 1 1 0 35 NA 0 1 0 37 NA 1 1 0
|
|
39 NA 0 1 0 41 NA 1 0 0 42 NA 1 0 0
|
|
55 NA 0 1 0 56 NA 0 1 0 58 NA 1 0 0
|
|
60 NA 0 0 0 62 NA 1 0 0 63 NA 0 0 0
|
|
109 CL 24 6.8216 12.8910 65 CL 0 1 0 66 CL 1 1 0 73 CL 0 0 1
|
|
76 CL 0 0 1 78 CL 1 0 0 80 CL 0 0 1
|
|
85 CL 0 1 0 88 CL 0 1 0 89 CL 0 0 0
|
|
91 CL 1 0 0 95 CL 1 0 0 96 CL 0 0 0
|
|
98 CL 1 1 0 99 CL 0 1 0 102 CL 1 0 0
|
|
104 CL 0 1 0 107 CL 1 0 0 108 CL 0 0 0
|
|
113 CL 0 1 0 115 CL 0 1 0 117 CL 0 0 0
|
|
118 CL 1 0 0 126 CL 1 0 0 127 CL 0 0 0
|
|
|
|
110 CL 6 2.7849 5.2627 33 NA 0 1 0 34 NA 0 1 0 46 NA 0 0 0
|
|
49 NA 0 1 0 61 NA 0 0 0 62 NA 0 0 0
|
|
110 CL 12 3.9385 7.4426 82 CL 0 1 0 94 CL 0 0 0 95 CL 0 0 0
|
|
97 CL -1 1 0 98 CL 0 1 0 106 CL 0 0 0
|
|
107 CL 0 0 0 109 CL -1 0 0 111 CL 0 0 0
|
|
122 CL 0 0 0 125 CL -1 0 0 126 CL 0 0 0
|
|
110 CL 8 4.8236 9.1153 13 NA 0 0 1 18 NA 0 1 0 37 NA 0 1 0
|
|
45 NA 0 0 0 47 NA 0 0 0 50 NA 0 1 0
|
|
52 NA -1 1 0 58 NA 0 0 0
|
|
110 CL 6 5.5698 10.5254 81 CL -1 1 0 83 CL 0 1 0 91 CL 0 0 0
|
|
113 CL -1 1 0 121 CL -1 0 0 123 CL 0 0 0
|
|
110 CL 23 6.2272 11.7678 4 NA -1 1 1 9 NA 0 0 1 10 NA 0 0 1
|
|
14 NA 0 0 1 16 NA -1 0 1 17 NA 0 1 0
|
|
19 NA 0 1 0 21 NA 0 1 0 22 NA 0 1 0
|
|
30 NA 0 0 0 31 NA 0 0 0 35 NA 0 1 0
|
|
36 NA -1 1 0 38 NA 0 1 0 40 NA -1 1 0
|
|
42 NA 0 0 0 43 NA 0 0 0 53 NA 0 1 0
|
|
56 NA -1 1 0 57 NA 0 0 0 59 NA 0 0 0
|
|
63 NA 0 0 0 64 NA -1 0 0
|
|
110 CL 1 6.2304 11.7738 1 NA 0 1 1
|
|
|
|
111 CL 6 2.7849 5.2627 34 NA 0 1 0 35 NA 0 1 0 47 NA 0 0 0
|
|
50 NA 0 1 0 62 NA 0 0 0 63 NA 0 0 0
|
|
111 CL 12 3.9385 7.4426 83 CL 0 1 0 95 CL 0 0 0 96 CL 0 0 0
|
|
98 CL 0 1 0 99 CL 0 1 0 107 CL 0 0 0
|
|
108 CL 0 0 0 110 CL 0 0 0 112 CL 0 0 0
|
|
123 CL 0 0 0 126 CL 0 0 0 127 CL 0 0 0
|
|
111 CL 8 4.8236 9.1153 14 NA 0 0 1 19 NA 0 1 0 38 NA 0 1 0
|
|
46 NA 0 0 0 48 NA 0 0 0 49 NA 0 1 0
|
|
51 NA 0 1 0 59 NA 0 0 0
|
|
111 CL 6 5.5698 10.5254 82 CL 0 1 0 84 CL 0 1 0 92 CL 0 0 0
|
|
114 CL 0 1 0 122 CL 0 0 0 124 CL 0 0 0
|
|
111 CL 1 6.2241 11.7618 1 NA 0 1 1
|
|
111 CL 23 6.2272 11.7678 2 NA 0 1 1 10 NA 0 0 1 11 NA 0 0 1
|
|
13 NA 0 0 1 15 NA 0 0 1 18 NA 0 1 0
|
|
20 NA 0 1 0 22 NA 0 1 0 23 NA 0 1 0
|
|
31 NA 0 0 0 32 NA 0 0 0 33 NA 0 1 0
|
|
36 NA 0 1 0 37 NA 0 1 0 39 NA 0 1 0
|
|
43 NA 0 0 0 44 NA 0 0 0 53 NA 0 1 0
|
|
54 NA 0 1 0 58 NA 0 0 0 60 NA 0 0 0
|
|
61 NA 0 0 0 64 NA 0 0 0
|
|
|
|
112 CL 6 2.7849 5.2627 35 NA 0 1 0 36 NA 0 1 0 48 NA 0 0 0
|
|
51 NA 0 1 0 63 NA 0 0 0 64 NA 0 0 0
|
|
112 CL 12 3.9385 7.4426 84 CL 0 1 0 93 CL 0 0 0 96 CL 0 0 0
|
|
99 CL 0 1 0 100 CL 0 1 0 105 CL 0 0 0
|
|
108 CL 0 0 0 109 CL 0 0 0 111 CL 0 0 0
|
|
124 CL 0 0 0 127 CL 0 0 0 128 CL 0 0 0
|
|
112 CL 8 4.8236 9.1153 15 NA 0 0 1 20 NA 0 1 0 39 NA 0 1 0
|
|
45 NA 1 0 0 47 NA 0 0 0 50 NA 0 1 0
|
|
52 NA 0 1 0 60 NA 0 0 0
|
|
112 CL 6 5.5698 10.5254 81 CL 0 1 0 83 CL 0 1 0 89 CL 0 0 0
|
|
115 CL 0 1 0 121 CL 0 0 0 123 CL 0 0 0
|
|
112 CL 24 6.2272 11.7678 2 NA 0 1 1 3 NA 0 1 1 11 NA 0 0 1
|
|
12 NA 0 0 1 14 NA 0 0 1 16 NA 0 0 1
|
|
17 NA 1 1 0 19 NA 0 1 0 23 NA 0 1 0
|
|
24 NA 0 1 0 29 NA 1 0 0 32 NA 0 0 0
|
|
33 NA 1 1 0 34 NA 0 1 0 38 NA 0 1 0
|
|
40 NA 0 1 0 41 NA 1 0 0 44 NA 0 0 0
|
|
54 NA 0 1 0 55 NA 0 1 0 57 NA 1 0 0
|
|
59 NA 0 0 0 61 NA 1 0 0 62 NA 0 0 0
|
|
112 CL 24 6.8216 12.8910 65 CL 0 1 0 68 CL 0 1 0 75 CL 0 0 1
|
|
76 CL 0 0 1 77 CL 0 0 0 79 CL 0 0 1
|
|
87 CL 0 1 0 88 CL 0 1 0 90 CL 1 0 0
|
|
92 CL 0 0 0 94 CL 1 0 0 95 CL 0 0 0
|
|
97 CL 0 1 0 98 CL 0 1 0 101 CL 0 0 0
|
|
103 CL 0 1 0 106 CL 1 0 0 107 CL 0 0 0
|
|
114 CL 0 1 0 116 CL 0 1 0 117 CL 0 0 0
|
|
120 CL 0 0 0 125 CL 0 0 0 126 CL 0 0 0
|
|
|
|
113 CL 5 2.7849 5.2627 4 NA 0 0 1 8 NA 0 0 1 49 NA 1 0 0
|
|
53 NA 1 0 0 56 NA 0 0 0
|
|
113 CL 1 2.7920 5.2761 1 NA 1 0 1
|
|
113 CL 12 3.9385 7.4426 65 CL 0 0 1 68 CL 0 0 1 77 CL 0-1 1
|
|
97 CL 0 0 0 98 CL 1 0 0 101 CL 0 0 0
|
|
114 CL 1 0 0 116 CL 0 0 0 117 CL 0 0 0
|
|
120 CL 0 0 0 125 CL 0-1 0 126 CL 1-1 0
|
|
113 CL 8 4.8236 9.1153 5 NA 1 0 1 7 NA 0 0 1 13 NA 1-1 1
|
|
20 NA 0 0 1 37 NA 1 0 0 50 NA 1 0 0
|
|
52 NA 0 0 0 60 NA 0 0 0
|
|
113 CL 6 5.5698 10.5254 72 CL 0 0 1 78 CL 1-1 1 80 CL 0-1 1
|
|
102 CL 1 0 0 104 CL 0 0 0 110 CL 1-1 0
|
|
113 CL 24 6.2272 11.7678 2 NA 1 0 1 3 NA 0 0 1 11 NA 0 0 1
|
|
12 NA 0 0 1 14 NA 1-1 1 16 NA 0-1 1
|
|
17 NA 1 0 1 19 NA 0 0 1 23 NA 0 0 1
|
|
24 NA 0 0 1 29 NA 1-1 1 32 NA 0-1 1
|
|
33 NA 1 0 0 34 NA 1 0 0 38 NA 1 0 0
|
|
40 NA 0 0 0 41 NA 1 0 0 44 NA 0 0 0
|
|
54 NA 1 0 0 55 NA 0 0 0 57 NA 1 0 0
|
|
59 NA 0 0 0 61 NA 1-1 0 62 NA 1-1 0
|
|
|
|
114 CL 1 2.7778 5.2494 1 NA 0 0 1
|
|
114 CL 5 2.7849 5.2627 2 NA 0 0 1 5 NA 0 0 1 50 NA 0 0 0
|
|
53 NA 0 0 0 54 NA 0 0 0
|
|
114 CL 12 3.9385 7.4426 65 CL -1 0 1 66 CL 0 0 1 78 CL 0-1 1
|
|
98 CL 0 0 0 99 CL 0 0 0 102 CL 0 0 0
|
|
113 CL -1 0 0 115 CL 0 0 0 117 CL -1 0 0
|
|
118 CL 0 0 0 126 CL 0-1 0 127 CL 0-1 0
|
|
114 CL 8 4.8236 9.1153 6 NA 0 0 1 8 NA -1 0 1 14 NA 0-1 1
|
|
17 NA 0 0 1 38 NA 0 0 0 49 NA 0 0 0
|
|
51 NA 0 0 0 57 NA 0 0 0
|
|
114 CL 6 5.5698 10.5254 69 CL -1 0 1 77 CL -1-1 1 79 CL 0-1 1
|
|
101 CL -1 0 0 103 CL 0 0 0 111 CL 0-1 0
|
|
114 CL 24 6.2272 11.7678 3 NA 0 0 1 4 NA -1 0 1 9 NA 0 0 1
|
|
12 NA -1 0 1 13 NA 0-1 1 15 NA 0-1 1
|
|
18 NA 0 0 1 20 NA -1 0 1 21 NA 0 0 1
|
|
24 NA -1 0 1 29 NA 0-1 1 30 NA 0-1 1
|
|
34 NA 0 0 0 35 NA 0 0 0 37 NA 0 0 0
|
|
39 NA 0 0 0 41 NA 0 0 0 42 NA 0 0 0
|
|
55 NA 0 0 0 56 NA -1 0 0 58 NA 0 0 0
|
|
60 NA -1 0 0 62 NA 0-1 0 63 NA 0-1 0
|
|
|
|
115 CL 6 2.7849 5.2627 2 NA 0 0 1 3 NA 0 0 1 6 NA 0 0 1
|
|
51 NA 0 0 0 54 NA 0 0 0 55 NA 0 0 0
|
|
115 CL 12 3.9385 7.4426 66 CL 0 0 1 67 CL 0 0 1 79 CL 0-1 1
|
|
99 CL 0 0 0 100 CL 0 0 0 103 CL 0 0 0
|
|
114 CL 0 0 0 116 CL 0 0 0 118 CL 0 0 0
|
|
119 CL 0 0 0 127 CL 0-1 0 128 CL 0-1 0
|
|
115 CL 8 4.8236 9.1153 5 NA 0 0 1 7 NA 0 0 1 15 NA 0-1 1
|
|
18 NA 0 0 1 39 NA 0 0 0 50 NA 0 0 0
|
|
52 NA 0 0 0 58 NA 0 0 0
|
|
115 CL 6 5.5698 10.5254 70 CL 0 0 1 78 CL 0-1 1 80 CL 0-1 1
|
|
102 CL 0 0 0 104 CL 0 0 0 112 CL 0-1 0
|
|
115 CL 1 6.2178 11.7499 1 NA 0 0 1
|
|
115 CL 23 6.2272 11.7678 4 NA 0 0 1 9 NA 0 0 1 10 NA 0 0 1
|
|
14 NA 0-1 1 16 NA 0-1 1 17 NA 0 0 1
|
|
19 NA 0 0 1 21 NA 0 0 1 22 NA 0 0 1
|
|
30 NA 0-1 1 31 NA 0-1 1 35 NA 0 0 0
|
|
36 NA 0 0 0 38 NA 0 0 0 40 NA 0 0 0
|
|
42 NA 0 0 0 43 NA 0 0 0 53 NA 0 0 0
|
|
56 NA 0 0 0 57 NA 0 0 0 59 NA 0 0 0
|
|
63 NA 0-1 0 64 NA 0-1 0
|
|
|
|
116 CL 6 2.7849 5.2627 3 NA 0 0 1 4 NA 0 0 1 7 NA 0 0 1
|
|
52 NA 0 0 0 55 NA 0 0 0 56 NA 0 0 0
|
|
116 CL 12 3.9385 7.4426 67 CL 0 0 1 68 CL 0 0 1 80 CL 0-1 1
|
|
97 CL 0 0 0 100 CL 0 0 0 104 CL 0 0 0
|
|
113 CL 0 0 0 115 CL 0 0 0 119 CL 0 0 0
|
|
120 CL 0 0 0 125 CL 0-1 0 128 CL 0-1 0
|
|
116 CL 8 4.8236 9.1153 6 NA 0 0 1 8 NA 0 0 1 16 NA 0-1 1
|
|
19 NA 0 0 1 40 NA 0 0 0 49 NA 1 0 0
|
|
51 NA 0 0 0 59 NA 0 0 0
|
|
116 CL 6 5.5698 10.5254 71 CL 0 0 1 77 CL 0-1 1 79 CL 0-1 1
|
|
101 CL 0 0 0 103 CL 0 0 0 109 CL 0-1 0
|
|
116 CL 23 6.2272 11.7678 2 NA 0 0 1 10 NA 0 0 1 11 NA 0 0 1
|
|
13 NA 1-1 1 15 NA 0-1 1 18 NA 0 0 1
|
|
20 NA 0 0 1 22 NA 0 0 1 23 NA 0 0 1
|
|
31 NA 0-1 1 32 NA 0-1 1 33 NA 1 0 0
|
|
36 NA 0 0 0 37 NA 1 0 0 39 NA 0 0 0
|
|
43 NA 0 0 0 44 NA 0 0 0 53 NA 1 0 0
|
|
54 NA 0 0 0 58 NA 0 0 0 60 NA 0 0 0
|
|
61 NA 1-1 0 64 NA 0-1 0
|
|
116 CL 1 6.2367 11.7857 1 NA 1 0 1
|
|
|
|
117 CL 6 2.7849 5.2627 5 NA 1 0 1 8 NA 0 0 1 12 NA 0 0 1
|
|
53 NA 1 0 0 57 NA 1 0 0 60 NA 0 0 0
|
|
117 CL 12 3.9385 7.4426 65 CL 0 0 1 69 CL 0 0 1 72 CL 0 0 1
|
|
101 CL 0 0 0 102 CL 1 0 0 105 CL 0 0 0
|
|
113 CL 0 0 0 114 CL 1 0 0 118 CL 1 0 0
|
|
120 CL 0 0 0 121 CL 0 0 0 124 CL 0 0 0
|
|
117 CL 7 4.8236 9.1153 9 NA 1 0 1 11 NA 0 0 1 24 NA 0 0 1
|
|
41 NA 1 0 0 54 NA 1 0 0 56 NA 0 0 0
|
|
64 NA 0 0 0
|
|
117 CL 1 4.8236 9.1153 1 NA 1 0 1
|
|
117 CL 6 5.5698 10.5254 66 CL 1 0 1 68 CL 0 0 1 76 CL 0 0 1
|
|
98 CL 1 0 0 106 CL 1 0 0 108 CL 0 0 0
|
|
117 CL 24 6.2272 11.7678 2 NA 1 0 1 4 NA 0 0 1 6 NA 1 0 1
|
|
7 NA 0 0 1 15 NA 0 0 1 16 NA 0 0 1
|
|
17 NA 1 0 1 20 NA 0 0 1 21 NA 1 0 1
|
|
23 NA 0 0 1 27 NA 0 0 1 28 NA 0 0 1
|
|
37 NA 1 0 0 38 NA 1 0 0 42 NA 1 0 0
|
|
44 NA 0 0 0 45 NA 1 0 0 48 NA 0 0 0
|
|
49 NA 1 0 0 50 NA 1 0 0 58 NA 1 0 0
|
|
59 NA 0 0 0 61 NA 1 0 0 63 NA 0 0 0
|
|
|
|
118 CL 6 2.7849 5.2627 5 NA 0 0 1 6 NA 0 0 1 9 NA 0 0 1
|
|
54 NA 0 0 0 57 NA 0 0 0 58 NA 0 0 0
|
|
118 CL 12 3.9385 7.4426 66 CL 0 0 1 69 CL -1 0 1 70 CL 0 0 1
|
|
102 CL 0 0 0 103 CL 0 0 0 106 CL 0 0 0
|
|
114 CL 0 0 0 115 CL 0 0 0 117 CL -1 0 0
|
|
119 CL 0 0 0 121 CL -1 0 0 122 CL 0 0 0
|
|
118 CL 8 4.8236 9.1153 2 NA 0 0 1 10 NA 0 0 1 12 NA -1 0 1
|
|
21 NA 0 0 1 42 NA 0 0 0 53 NA 0 0 0
|
|
55 NA 0 0 0 61 NA 0 0 0
|
|
118 CL 6 5.5698 10.5254 65 CL -1 0 1 67 CL 0 0 1 73 CL -1 0 1
|
|
99 CL 0 0 0 105 CL -1 0 0 107 CL 0 0 0
|
|
118 CL 1 6.2209 11.7558 1 NA 0 0 1
|
|
118 CL 23 6.2272 11.7678 3 NA 0 0 1 7 NA 0 0 1 8 NA -1 0 1
|
|
13 NA 0 0 1 16 NA -1 0 1 17 NA 0 0 1
|
|
18 NA 0 0 1 22 NA 0 0 1 24 NA -1 0 1
|
|
25 NA 0 0 1 28 NA -1 0 1 38 NA 0 0 0
|
|
39 NA 0 0 0 41 NA 0 0 0 43 NA 0 0 0
|
|
45 NA 0 0 0 46 NA 0 0 0 50 NA 0 0 0
|
|
51 NA 0 0 0 59 NA 0 0 0 60 NA -1 0 0
|
|
62 NA 0 0 0 64 NA -1 0 0
|
|
|
|
119 CL 6 2.7849 5.2627 6 NA 0 0 1 7 NA 0 0 1 10 NA 0 0 1
|
|
55 NA 0 0 0 58 NA 0 0 0 59 NA 0 0 0
|
|
119 CL 12 3.9385 7.4426 67 CL 0 0 1 70 CL 0 0 1 71 CL 0 0 1
|
|
103 CL 0 0 0 104 CL 0 0 0 107 CL 0 0 0
|
|
115 CL 0 0 0 116 CL 0 0 0 118 CL 0 0 0
|
|
120 CL 0 0 0 122 CL 0 0 0 123 CL 0 0 0
|
|
119 CL 8 4.8236 9.1153 3 NA 0 0 1 9 NA 0 0 1 11 NA 0 0 1
|
|
22 NA 0 0 1 43 NA 0 0 0 54 NA 0 0 0
|
|
56 NA 0 0 0 62 NA 0 0 0
|
|
119 CL 6 5.5698 10.5254 66 CL 0 0 1 68 CL 0 0 1 74 CL 0 0 1
|
|
100 CL 0 0 0 106 CL 0 0 0 108 CL 0 0 0
|
|
119 CL 24 6.2272 11.7678 2 NA 0 0 1 4 NA 0 0 1 5 NA 0 0 1
|
|
8 NA 0 0 1 13 NA 0 0 1 14 NA 0 0 1
|
|
18 NA 0 0 1 19 NA 0 0 1 21 NA 0 0 1
|
|
23 NA 0 0 1 25 NA 0 0 1 26 NA 0 0 1
|
|
39 NA 0 0 0 40 NA 0 0 0 42 NA 0 0 0
|
|
44 NA 0 0 0 46 NA 0 0 0 47 NA 0 0 0
|
|
51 NA 0 0 0 52 NA 0 0 0 57 NA 0 0 0
|
|
60 NA 0 0 0 61 NA 0 0 0 63 NA 0 0 0
|
|
119 CL 24 6.8216 12.8910 69 CL -1 0 1 72 CL 0 0 1 73 CL -1 0 1
|
|
75 CL 0 0 1 79 CL 0-1 1 80 CL 0-1 1
|
|
82 CL 0 0 1 83 CL 0 0 1 86 CL 0 0 1
|
|
88 CL 0 0 0 91 CL 0 0 0 92 CL 0 0 0
|
|
97 CL 0 0 0 99 CL 0 0 0 101 CL 0 0 0
|
|
102 CL 0 0 0 110 CL 0 0 0 111 CL 0 0 0
|
|
113 CL 0 0 0 114 CL 0 0 0 121 CL -1 0 0
|
|
124 CL 0 0 0 126 CL 0 0 0 128 CL 0-1 0
|
|
|
|
120 CL 6 2.7849 5.2627 7 NA 0 0 1 8 NA 0 0 1 11 NA 0 0 1
|
|
56 NA 0 0 0 59 NA 0 0 0 60 NA 0 0 0
|
|
120 CL 12 3.9385 7.4426 68 CL 0 0 1 71 CL 0 0 1 72 CL 0 0 1
|
|
101 CL 0 0 0 104 CL 0 0 0 108 CL 0 0 0
|
|
113 CL 0 0 0 116 CL 0 0 0 117 CL 0 0 0
|
|
119 CL 0 0 0 123 CL 0 0 0 124 CL 0 0 0
|
|
120 CL 8 4.8236 9.1153 4 NA 0 0 1 10 NA 0 0 1 12 NA 0 0 1
|
|
23 NA 0 0 1 44 NA 0 0 0 53 NA 1 0 0
|
|
55 NA 0 0 0 63 NA 0 0 0
|
|
120 CL 6 5.5698 10.5254 65 CL 0 0 1 67 CL 0 0 1 75 CL 0 0 1
|
|
97 CL 0 0 0 105 CL 0 0 0 107 CL 0 0 0
|
|
120 CL 23 6.2272 11.7678 3 NA 0 0 1 5 NA 1 0 1 6 NA 0 0 1
|
|
14 NA 0 0 1 15 NA 0 0 1 19 NA 0 0 1
|
|
20 NA 0 0 1 22 NA 0 0 1 24 NA 0 0 1
|
|
26 NA 0 0 1 27 NA 0 0 1 37 NA 1 0 0
|
|
40 NA 0 0 0 41 NA 1 0 0 43 NA 0 0 0
|
|
47 NA 0 0 0 48 NA 0 0 0 49 NA 1 0 0
|
|
52 NA 0 0 0 57 NA 1 0 0 58 NA 0 0 0
|
|
62 NA 0 0 0 64 NA 0 0 0
|
|
120 CL 1 6.2336 11.7798 1 NA 1 0 1
|
|
|
|
121 CL 6 2.7849 5.2627 9 NA 1 0 1 12 NA 0 0 1 16 NA 0 0 1
|
|
57 NA 1 0 0 61 NA 1 0 0 64 NA 0 0 0
|
|
121 CL 12 3.9385 7.4426 69 CL 0 0 1 73 CL 0 0 1 76 CL 0 0 1
|
|
105 CL 0 0 0 106 CL 1 0 0 109 CL 0 0 0
|
|
117 CL 0 0 0 118 CL 1 0 0 122 CL 1 0 0
|
|
124 CL 0 0 0 125 CL 0 0 0 128 CL 0 0 0
|
|
121 CL 8 4.8236 9.1153 5 NA 1 0 1 13 NA 1 0 1 15 NA 0 0 1
|
|
28 NA 0 0 1 45 NA 1 0 0 52 NA 0 1 0
|
|
58 NA 1 0 0 60 NA 0 0 0
|
|
121 CL 6 5.5698 10.5254 70 CL 1 0 1 72 CL 0 0 1 80 CL 0 0 1
|
|
102 CL 1 0 0 110 CL 1 0 0 112 CL 0 0 0
|
|
121 CL 24 6.2272 11.7678 3 NA 0 1 1 4 NA 0 1 1 6 NA 1 0 1
|
|
8 NA 0 0 1 10 NA 1 0 1 11 NA 0 0 1
|
|
21 NA 1 0 1 24 NA 0 0 1 25 NA 1 0 1
|
|
27 NA 0 0 1 31 NA 0 0 1 32 NA 0 0 1
|
|
33 NA 1 1 0 36 NA 0 1 0 41 NA 1 0 0
|
|
42 NA 1 0 0 46 NA 1 0 0 48 NA 0 0 0
|
|
49 NA 1 1 0 51 NA 0 1 0 53 NA 1 0 0
|
|
54 NA 1 0 0 62 NA 1 0 0 63 NA 0 0 0
|
|
121 CL 24 6.8216 12.8910 65 CL 0 0 1 66 CL 1 0 1 74 CL 1 0 1
|
|
75 CL 0 0 1 77 CL 0 0 1 79 CL 0 0 1
|
|
85 CL 0 0 1 88 CL 0 0 1 90 CL 1 0 0
|
|
92 CL 0 0 1 93 CL 0 0 0 94 CL 1 0 0
|
|
97 CL 0 1 0 100 CL 0 1 0 101 CL 0 0 0
|
|
103 CL 1 0 0 107 CL 1 0 0 108 CL 0 0 0
|
|
114 CL 1 0 0 116 CL 0 1 0 119 CL 1 0 0
|
|
120 CL 0 0 0 126 CL 1 0 0 127 CL 0 0 0
|
|
|
|
122 CL 6 2.7849 5.2627 9 NA 0 0 1 10 NA 0 0 1 13 NA 0 0 1
|
|
58 NA 0 0 0 61 NA 0 0 0 62 NA 0 0 0
|
|
122 CL 12 3.9385 7.4426 70 CL 0 0 1 73 CL -1 0 1 74 CL 0 0 1
|
|
106 CL 0 0 0 107 CL 0 0 0 110 CL 0 0 0
|
|
118 CL 0 0 0 119 CL 0 0 0 121 CL -1 0 0
|
|
123 CL 0 0 0 125 CL -1 0 0 126 CL 0 0 0
|
|
122 CL 8 4.8236 9.1153 6 NA 0 0 1 14 NA 0 0 1 16 NA -1 0 1
|
|
25 NA 0 0 1 46 NA 0 0 0 49 NA 0 1 0
|
|
57 NA 0 0 0 59 NA 0 0 0
|
|
122 CL 6 5.5698 10.5254 69 CL -1 0 1 71 CL 0 0 1 77 CL -1 0 1
|
|
103 CL 0 0 0 109 CL -1 0 0 111 CL 0 0 0
|
|
122 CL 23 6.2272 11.7678 4 NA -1 1 1 5 NA 0 0 1 7 NA 0 0 1
|
|
11 NA 0 0 1 12 NA -1 0 1 21 NA 0 0 1
|
|
22 NA 0 0 1 26 NA 0 0 1 28 NA -1 0 1
|
|
29 NA 0 0 1 32 NA -1 0 1 33 NA 0 1 0
|
|
34 NA 0 1 0 42 NA 0 0 0 43 NA 0 0 0
|
|
45 NA 0 0 0 47 NA 0 0 0 50 NA 0 1 0
|
|
52 NA -1 1 0 54 NA 0 0 0 55 NA 0 0 0
|
|
63 NA 0 0 0 64 NA -1 0 0
|
|
122 CL 1 6.2304 11.7738 1 NA 0 1 1
|
|
|
|
123 CL 6 2.7849 5.2627 10 NA 0 0 1 11 NA 0 0 1 14 NA 0 0 1
|
|
59 NA 0 0 0 62 NA 0 0 0 63 NA 0 0 0
|
|
123 CL 12 3.9385 7.4426 71 CL 0 0 1 74 CL 0 0 1 75 CL 0 0 1
|
|
107 CL 0 0 0 108 CL 0 0 0 111 CL 0 0 0
|
|
119 CL 0 0 0 120 CL 0 0 0 122 CL 0 0 0
|
|
124 CL 0 0 0 126 CL 0 0 0 127 CL 0 0 0
|
|
123 CL 8 4.8236 9.1153 7 NA 0 0 1 13 NA 0 0 1 15 NA 0 0 1
|
|
26 NA 0 0 1 47 NA 0 0 0 50 NA 0 1 0
|
|
58 NA 0 0 0 60 NA 0 0 0
|
|
123 CL 6 5.5698 10.5254 70 CL 0 0 1 72 CL 0 0 1 78 CL 0 0 1
|
|
104 CL 0 0 0 110 CL 0 0 0 112 CL 0 0 0
|
|
123 CL 1 6.2241 11.7618 1 NA 0 1 1
|
|
123 CL 23 6.2272 11.7678 2 NA 0 1 1 6 NA 0 0 1 8 NA 0 0 1
|
|
9 NA 0 0 1 12 NA 0 0 1 22 NA 0 0 1
|
|
23 NA 0 0 1 25 NA 0 0 1 27 NA 0 0 1
|
|
29 NA 0 0 1 30 NA 0 0 1 34 NA 0 1 0
|
|
35 NA 0 1 0 43 NA 0 0 0 44 NA 0 0 0
|
|
46 NA 0 0 0 48 NA 0 0 0 49 NA 0 1 0
|
|
51 NA 0 1 0 55 NA 0 0 0 56 NA 0 0 0
|
|
61 NA 0 0 0 64 NA 0 0 0
|
|
|
|
124 CL 6 2.7849 5.2627 11 NA 0 0 1 12 NA 0 0 1 15 NA 0 0 1
|
|
60 NA 0 0 0 63 NA 0 0 0 64 NA 0 0 0
|
|
124 CL 12 3.9385 7.4426 72 CL 0 0 1 75 CL 0 0 1 76 CL 0 0 1
|
|
105 CL 0 0 0 108 CL 0 0 0 112 CL 0 0 0
|
|
117 CL 0 0 0 120 CL 0 0 0 121 CL 0 0 0
|
|
123 CL 0 0 0 127 CL 0 0 0 128 CL 0 0 0
|
|
124 CL 8 4.8236 9.1153 8 NA 0 0 1 14 NA 0 0 1 16 NA 0 0 1
|
|
27 NA 0 0 1 48 NA 0 0 0 51 NA 0 1 0
|
|
57 NA 1 0 0 59 NA 0 0 0
|
|
124 CL 6 5.5698 10.5254 69 CL 0 0 1 71 CL 0 0 1 79 CL 0 0 1
|
|
101 CL 0 0 0 109 CL 0 0 0 111 CL 0 0 0
|
|
124 CL 24 6.2272 11.7678 2 NA 0 1 1 3 NA 0 1 1 5 NA 1 0 1
|
|
7 NA 0 0 1 9 NA 1 0 1 10 NA 0 0 1
|
|
23 NA 0 0 1 24 NA 0 0 1 26 NA 0 0 1
|
|
28 NA 0 0 1 30 NA 0 0 1 31 NA 0 0 1
|
|
35 NA 0 1 0 36 NA 0 1 0 41 NA 1 0 0
|
|
44 NA 0 0 0 45 NA 1 0 0 47 NA 0 0 0
|
|
50 NA 0 1 0 52 NA 0 1 0 53 NA 1 0 0
|
|
56 NA 0 0 0 61 NA 1 0 0 62 NA 0 0 0
|
|
124 CL 24 6.8216 12.8910 65 CL 0 0 1 68 CL 0 0 1 73 CL 0 0 1
|
|
74 CL 0 0 1 78 CL 0 0 1 80 CL 0 0 1
|
|
87 CL 0 0 1 88 CL 0 0 1 89 CL 0 0 0
|
|
91 CL 0 0 1 93 CL 0 0 0 96 CL 0 0 0
|
|
99 CL 0 1 0 100 CL 0 1 0 102 CL 1 0 0
|
|
104 CL 0 0 0 106 CL 1 0 0 107 CL 0 0 0
|
|
113 CL 0 0 0 115 CL 0 1 0 118 CL 1 0 0
|
|
119 CL 0 0 0 125 CL 0 0 0 126 CL 0 0 0
|
|
|
|
125 CL 6 2.7849 5.2627 4 NA 0 1 1 13 NA 1 0 1 16 NA 0 0 1
|
|
49 NA 1 1 0 52 NA 0 1 0 61 NA 1 0 0
|
|
125 CL 12 3.9385 7.4426 73 CL 0 0 1 77 CL 0 0 1 80 CL 0 0 1
|
|
97 CL 0 1 0 109 CL 0 0 0 110 CL 1 0 0
|
|
113 CL 0 1 0 116 CL 0 1 0 121 CL 0 0 0
|
|
122 CL 1 0 0 126 CL 1 0 0 128 CL 0 0 0
|
|
125 CL 7 4.8236 9.1153 3 NA 0 1 1 9 NA 1 0 1 32 NA 0 0 1
|
|
33 NA 1 1 0 56 NA 0 1 0 62 NA 1 0 0
|
|
64 NA 0 0 0
|
|
125 CL 1 4.8318 9.1307 1 NA 1 1 1
|
|
125 CL 6 5.5698 10.5254 68 CL 0 1 1 74 CL 1 0 1 76 CL 0 0 1
|
|
98 CL 1 1 0 100 CL 0 1 0 106 CL 1 0 0
|
|
125 CL 24 6.2272 11.7678 7 NA 0 1 1 8 NA 0 1 1 10 NA 1 0 1
|
|
12 NA 0 0 1 14 NA 1 0 1 15 NA 0 0 1
|
|
19 NA 0 1 1 20 NA 0 1 1 25 NA 1 0 1
|
|
28 NA 0 0 1 29 NA 1 0 1 31 NA 0 0 1
|
|
34 NA 1 1 0 36 NA 0 1 0 37 NA 1 1 0
|
|
40 NA 0 1 0 45 NA 1 0 0 46 NA 1 0 0
|
|
50 NA 1 1 0 51 NA 0 1 0 53 NA 1 1 0
|
|
55 NA 0 1 0 57 NA 1 0 0 58 NA 1 0 0
|
|
|
|
126 CL 5 2.7849 5.2627 13 NA 0 0 1 14 NA 0 0 1 49 NA 0 1 0
|
|
50 NA 0 1 0 62 NA 0 0 0
|
|
126 CL 1 2.7849 5.2628 1 NA 0 1 1
|
|
126 CL 12 3.9385 7.4426 74 CL 0 0 1 77 CL -1 0 1 78 CL 0 0 1
|
|
98 CL 0 1 0 110 CL 0 0 0 111 CL 0 0 0
|
|
113 CL -1 1 0 114 CL 0 1 0 122 CL 0 0 0
|
|
123 CL 0 0 0 125 CL -1 0 0 127 CL 0 0 0
|
|
126 CL 8 4.8236 9.1153 2 NA 0 1 1 4 NA -1 1 1 10 NA 0 0 1
|
|
29 NA 0 0 1 34 NA 0 1 0 53 NA 0 1 0
|
|
61 NA 0 0 0 63 NA 0 0 0
|
|
126 CL 6 5.5698 10.5254 65 CL -1 1 1 73 CL -1 0 1 75 CL 0 0 1
|
|
97 CL -1 1 0 99 CL 0 1 0 107 CL 0 0 0
|
|
126 CL 24 6.2272 11.7678 5 NA 0 1 1 8 NA -1 1 1 9 NA 0 0 1
|
|
11 NA 0 0 1 15 NA 0 0 1 16 NA -1 0 1
|
|
17 NA 0 1 1 20 NA -1 1 1 25 NA 0 0 1
|
|
26 NA 0 0 1 30 NA 0 0 1 32 NA -1 0 1
|
|
33 NA 0 1 0 35 NA 0 1 0 37 NA 0 1 0
|
|
38 NA 0 1 0 46 NA 0 0 0 47 NA 0 0 0
|
|
51 NA 0 1 0 52 NA -1 1 0 54 NA 0 1 0
|
|
56 NA -1 1 0 58 NA 0 0 0 59 NA 0 0 0
|
|
|
|
127 CL 6 2.7849 5.2627 2 NA 0 1 1 14 NA 0 0 1 15 NA 0 0 1
|
|
50 NA 0 1 0 51 NA 0 1 0 63 NA 0 0 0
|
|
127 CL 12 3.9385 7.4426 75 CL 0 0 1 78 CL 0 0 1 79 CL 0 0 1
|
|
99 CL 0 1 0 111 CL 0 0 0 112 CL 0 0 0
|
|
114 CL 0 1 0 115 CL 0 1 0 123 CL 0 0 0
|
|
124 CL 0 0 0 126 CL 0 0 0 128 CL 0 0 0
|
|
127 CL 1 4.8154 9.0999 1 NA 0 1 1
|
|
127 CL 7 4.8236 9.1153 3 NA 0 1 1 11 NA 0 0 1 30 NA 0 0 1
|
|
35 NA 0 1 0 54 NA 0 1 0 62 NA 0 0 0
|
|
64 NA 0 0 0
|
|
127 CL 6 5.5698 10.5254 66 CL 0 1 1 74 CL 0 0 1 76 CL 0 0 1
|
|
98 CL 0 1 0 100 CL 0 1 0 108 CL 0 0 0
|
|
127 CL 24 6.2272 11.7678 5 NA 0 1 1 6 NA 0 1 1 10 NA 0 0 1
|
|
12 NA 0 0 1 13 NA 0 0 1 16 NA 0 0 1
|
|
17 NA 0 1 1 18 NA 0 1 1 26 NA 0 0 1
|
|
27 NA 0 0 1 29 NA 0 0 1 31 NA 0 0 1
|
|
34 NA 0 1 0 36 NA 0 1 0 38 NA 0 1 0
|
|
39 NA 0 1 0 47 NA 0 0 0 48 NA 0 0 0
|
|
49 NA 0 1 0 52 NA 0 1 0 53 NA 0 1 0
|
|
55 NA 0 1 0 59 NA 0 0 0 60 NA 0 0 0
|
|
|
|
128 CL 6 2.7849 5.2627 3 NA 0 1 1 15 NA 0 0 1 16 NA 0 0 1
|
|
51 NA 0 1 0 52 NA 0 1 0 64 NA 0 0 0
|
|
128 CL 12 3.9385 7.4426 76 CL 0 0 1 79 CL 0 0 1 80 CL 0 0 1
|
|
100 CL 0 1 0 109 CL 0 0 0 112 CL 0 0 0
|
|
115 CL 0 1 0 116 CL 0 1 0 121 CL 0 0 0
|
|
124 CL 0 0 0 125 CL 0 0 0 127 CL 0 0 0
|
|
128 CL 8 4.8236 9.1153 2 NA 0 1 1 4 NA 0 1 1 12 NA 0 0 1
|
|
31 NA 0 0 1 36 NA 0 1 0 55 NA 0 1 0
|
|
61 NA 1 0 0 63 NA 0 0 0
|
|
128 CL 6 5.5698 10.5254 67 CL 0 1 1 73 CL 0 0 1 75 CL 0 0 1
|
|
97 CL 0 1 0 99 CL 0 1 0 105 CL 0 0 0
|
|
128 CL 24 6.2272 11.7678 6 NA 0 1 1 7 NA 0 1 1 9 NA 1 0 1
|
|
11 NA 0 0 1 13 NA 1 0 1 14 NA 0 0 1
|
|
18 NA 0 1 1 19 NA 0 1 1 27 NA 0 0 1
|
|
28 NA 0 0 1 30 NA 0 0 1 32 NA 0 0 1
|
|
33 NA 1 1 0 35 NA 0 1 0 39 NA 0 1 0
|
|
40 NA 0 1 0 45 NA 1 0 0 48 NA 0 0 0
|
|
49 NA 1 1 0 50 NA 0 1 0 54 NA 0 1 0
|
|
56 NA 0 1 0 57 NA 1 0 0 60 NA 0 0 0
|
|
128 CL 24 6.8216 12.8910 66 CL 0 1 1 68 CL 0 1 1 69 CL 0 0 1
|
|
72 CL 0 0 1 77 CL 0 0 1 78 CL 0 0 1
|
|
81 CL 0 1 0 84 CL 0 1 0 91 CL 0 0 1
|
|
92 CL 0 0 1 93 CL 0 0 0 95 CL 0 0 1
|
|
103 CL 0 1 0 104 CL 0 1 0 106 CL 1 0 0
|
|
108 CL 0 0 0 110 CL 1 0 0 111 CL 0 0 0
|
|
113 CL 0 1 0 114 CL 0 1 0 117 CL 0 0 0
|
|
119 CL 0 1 0 122 CL 1 0 0 123 CL 0 0 0
|
|
|
|
|
|
SYMMETRY ALLOWED INTERNAL DEGREE(S) OF FREEDOM: 381
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SYMM TELAPSE 1.24 TCPU 0.48
|
|
INFORMATION **** MPP **** block size = 96
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT INT_SCREEN TELAPSE 1.37 TCPU 0.60
|
|
INFORMATION **** EXCBUF **** EXCH. BIPO BUFFER: WORDS USED = 6478560
|
|
|
|
DFT PARAMETERS
|
|
|
|
ATOM ELECTRONS NET CHARGE R(ANGSTROM)
|
|
1 11 NA 11.0000 0.0000 1.91000000
|
|
65 17 CL 17.0000 0.0000 0.99000000
|
|
|
|
SIZE OF GRID= 2590922
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MAKE_GRID2_MTELAPSE 16.89 TCPU 16.11
|
|
BECKE WEIGHT FUNCTION
|
|
RADSAFE = 2.00
|
|
TOLERANCES - DENSITY:10**- 6; POTENTIAL:10**- 9; GRID WGT:10**-14
|
|
|
|
RADIAL INTEGRATION - INTERVALS (POINTS,UPPER LIMIT): 1( 75, 4.0*R)
|
|
|
|
ANGULAR INTEGRATION - INTERVALS (ACCURACY LEVEL [N. POINTS] UPPER LIMIT):
|
|
1( 4[ 86] 0.2) 2( 8[ 194] 0.5) 3( 12[ 350] 0.9) 4( 16[ 974] 3.5)
|
|
5( 12[ 350]9999.0)
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT INT_CALC TELAPSE 16.97 TCPU 16.18
|
|
EEEEEEEEEE INT_CALC TERMINATION DATE 10 06 2018 TIME 14:30:34.7
|
|
|
|
*******************************************************************************
|
|
Created by Phonopy CRYSTAL interface
|
|
CRYSTAL - SCF - TYPE OF CALCULATION : RESTRICTED CLOSED SHELL
|
|
*******************************************************************************
|
|
|
|
CAPPA:IS1 1;IS2 1;IS3 1; K PTS MONK NET 1; SYMMOPS:K SPACE 2;G SPACE 1
|
|
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SDIK TELAPSE 17.38 TCPU 16.59
|
|
|
|
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
|
|
ATOMIC WAVEFUNCTION(S)
|
|
|
|
|
|
NUCLEAR CHARGE 11.0 SYMMETRY SPECIES S P
|
|
N. ELECTRONS 11.0 NUMBER OF PRIMITIVE GTOS 10 6
|
|
NUMBER OF CONTRACTED GTOS 4 2
|
|
NUMBER OF CLOSED SHELLS 2 1
|
|
OPEN SHELL OCCUPATION 1 0
|
|
|
|
ZNUC SCFIT TOTAL HF ENERGY KINETIC ENERGY VIRIAL THEOREM ACCURACY
|
|
11.0 8 -1.617022420E+02 1.616850159E+02 -2.000106541E+00 3.5E-06
|
|
|
|
NUCLEAR CHARGE 17.0 SYMMETRY SPECIES S P
|
|
N. ELECTRONS 17.0 NUMBER OF PRIMITIVE GTOS 10 7
|
|
NUMBER OF CONTRACTED GTOS 4 3
|
|
NUMBER OF CLOSED SHELLS 3 1
|
|
OPEN SHELL OCCUPATION 0 5
|
|
|
|
ZNUC SCFIT TOTAL HF ENERGY KINETIC ENERGY VIRIAL THEOREM ACCURACY
|
|
17.0 9 -4.593143321E+02 4.592599506E+02 -2.000118411E+00 1.9E-06
|
|
|
|
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
|
|
|
|
CHARGE NORMALIZATION FACTOR 1.00000000
|
|
TOTAL ATOMIC CHARGES:
|
|
11.0000000 11.0000000 11.0000000 11.0000000 11.0000000 11.0000000
|
|
11.0000000 11.0000000 11.0000000 11.0000000 11.0000000 11.0000000
|
|
11.0000000 11.0000000 11.0000000 11.0000000 11.0000000 11.0000000
|
|
11.0000000 11.0000000 11.0000000 11.0000000 11.0000000 11.0000000
|
|
11.0000000 11.0000000 11.0000000 11.0000000 11.0000000 11.0000000
|
|
11.0000000 11.0000000 11.0000000 11.0000000 11.0000000 11.0000000
|
|
11.0000000 11.0000000 11.0000000 11.0000000 11.0000000 11.0000000
|
|
11.0000000 11.0000000 11.0000000 11.0000000 11.0000000 11.0000000
|
|
11.0000000 11.0000000 11.0000000 11.0000000 11.0000000 11.0000000
|
|
11.0000000 11.0000000 11.0000000 11.0000000 11.0000000 11.0000000
|
|
11.0000000 11.0000000 11.0000000 11.0000000 17.0000000 17.0000000
|
|
17.0000000 17.0000000 17.0000000 17.0000000 17.0000000 17.0000000
|
|
17.0000000 17.0000000 17.0000000 17.0000000 17.0000000 17.0000000
|
|
17.0000000 17.0000000 17.0000000 17.0000000 17.0000000 17.0000000
|
|
17.0000000 17.0000000 17.0000000 17.0000000 17.0000000 17.0000000
|
|
17.0000000 17.0000000 17.0000000 17.0000000 17.0000000 17.0000000
|
|
17.0000000 17.0000000 17.0000000 17.0000000 17.0000000 17.0000000
|
|
17.0000000 17.0000000 17.0000000 17.0000000 17.0000000 17.0000000
|
|
17.0000000 17.0000000 17.0000000 17.0000000 17.0000000 17.0000000
|
|
17.0000000 17.0000000 17.0000000 17.0000000 17.0000000 17.0000000
|
|
17.0000000 17.0000000 17.0000000 17.0000000 17.0000000 17.0000000
|
|
17.0000000 17.0000000
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 17.40 TCPU 16.61
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 43.17 TCPU 42.34
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 46.76 TCPU 45.92
|
|
NUMERICALLY INTEGRATED DENSITY 1792.0011775536
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 50.10 TCPU 49.26
|
|
CYC 0 ETOT(AU) -3.980238351320E+04 DETOT -3.98E+04 tst 0.00E+00 PX 1.00E+00
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 50.32 TCPU 49.48
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 50.32 TCPU 49.48
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIIS TELAPSE 50.32 TCPU 49.48
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 50.62 TCPU 49.78
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 51.00 TCPU 50.16
|
|
INSULATING STATE
|
|
TOP OF VALENCE BANDS - BAND 896; K 1; EIG -1.5806130E+01 AU
|
|
BOTTOM OF VIRTUAL BANDS - BAND 897; K 1; EIG -1.3755616E+00 AU
|
|
DIRECT ENERGY BAND GAP: 392.6759 eV
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT FERMI TELAPSE 51.00 TCPU 50.16
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PDIG TELAPSE 51.06 TCPU 50.22
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PROT TELAPSE 51.09 TCPU 50.25
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_KSPA TELAPSE 51.09 TCPU 50.25
|
|
CHARGE NORMALIZATION FACTOR 1.00000000
|
|
TOTAL ATOMIC CHARGES:
|
|
10.2389209 10.2389251 10.2389194 10.2389138 10.2389222 10.2389194
|
|
10.2389194 10.2389166 10.2389194 10.2389194 10.2389194 10.2389194
|
|
10.2389166 10.2389222 10.2389194 10.2389194 10.2389222 10.2389194
|
|
10.2389194 10.2389166 10.2389194 10.2389194 10.2389194 10.2389195
|
|
10.2389194 10.2389194 10.2389194 10.2389195 10.2389193 10.2388949
|
|
10.2389194 10.2389439 10.2389194 10.2389194 10.2389194 10.2389194
|
|
10.2389194 10.2389194 10.2389194 10.2389195 10.2389194 10.2389193
|
|
10.2389194 10.2389196 10.2389194 10.2389193 10.2389195 10.2389194
|
|
10.2389166 10.2389222 10.2389194 10.2389194 10.2389193 10.2388949
|
|
10.2389194 10.2389439 10.2389194 10.2389193 10.2389195 10.2389194
|
|
10.2389194 10.2389195 10.2389194 10.2389194 17.7610812 17.7610780
|
|
17.7610806 17.7610830 17.7610808 17.7610806 17.7610806 17.7610804
|
|
17.7610810 17.7610805 17.7610801 17.7610806 17.7614663 17.7606938
|
|
17.7610804 17.7610808 17.7610808 17.7610806 17.7610806 17.7610804
|
|
17.7610806 17.7610806 17.7610805 17.7610806 17.7610812 17.7610799
|
|
17.7610803 17.7610809 17.7610805 17.7610801 17.7610806 17.7610810
|
|
17.7610810 17.7610805 17.7610801 17.7610806 17.7610812 17.7610799
|
|
17.7610803 17.7610809 17.7610806 17.7610805 17.7610806 17.7610806
|
|
17.7610806 17.7610804 17.7610808 17.7610806 17.7614663 17.7606938
|
|
17.7610804 17.7610808 17.7610805 17.7610801 17.7610806 17.7610810
|
|
17.7610806 17.7610804 17.7610808 17.7610806 17.7610830 17.7610812
|
|
17.7610780 17.7610806
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 51.10 TCPU 50.26
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 77.92 TCPU 77.04
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 81.94 TCPU 81.07
|
|
NUMERICALLY INTEGRATED DENSITY 1792.0013079489
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 85.58 TCPU 84.70
|
|
CYC 1 ETOT(AU) -3.981952144093E+04 DETOT -1.71E+01 tst 0.00E+00 PX 1.00E+00
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 85.80 TCPU 84.92
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 86.25 TCPU 85.37
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIIS TELAPSE 86.25 TCPU 85.37
|
|
DIIS TEST: 0.13317E+01 AT SCF CYCLE 1 - MIX 80 %
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 86.46 TCPU 85.58
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 86.84 TCPU 85.96
|
|
INSULATING STATE
|
|
TOP OF VALENCE BANDS - BAND 896; K 1; EIG -3.0950576E-01 AU
|
|
BOTTOM OF VIRTUAL BANDS - BAND 897; K 1; EIG -1.4871253E-02 AU
|
|
DIRECT ENERGY BAND GAP: 8.0174 eV
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT FERMI TELAPSE 86.84 TCPU 85.96
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PDIG TELAPSE 86.90 TCPU 86.01
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PROT TELAPSE 86.93 TCPU 86.04
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_KSPA TELAPSE 86.93 TCPU 86.04
|
|
CHARGE NORMALIZATION FACTOR 1.00000000
|
|
TOTAL ATOMIC CHARGES:
|
|
10.2664839 10.2665171 10.2664823 10.2664479 10.2664996 10.2664838
|
|
10.2664808 10.2664650 10.2664823 10.2664823 10.2664823 10.2664823
|
|
10.2664650 10.2664996 10.2664838 10.2664808 10.2664996 10.2664838
|
|
10.2664808 10.2664650 10.2664809 10.2664823 10.2664837 10.2664824
|
|
10.2664795 10.2664852 10.2664827 10.2664819 10.2664821 10.2664544
|
|
10.2664823 10.2665102 10.2664823 10.2664823 10.2664823 10.2664823
|
|
10.2664795 10.2664852 10.2664827 10.2664819 10.2664823 10.2664830
|
|
10.2664823 10.2664816 10.2664852 10.2664827 10.2664820 10.2664795
|
|
10.2664650 10.2664996 10.2664838 10.2664808 10.2664821 10.2664544
|
|
10.2664823 10.2665102 10.2664852 10.2664827 10.2664820 10.2664795
|
|
10.2664837 10.2664824 10.2664809 10.2664823 17.7335179 17.7335176
|
|
17.7335177 17.7335177 17.7335182 17.7335176 17.7335178 17.7335173
|
|
17.7335179 17.7335177 17.7335175 17.7335177 17.7338476 17.7331868
|
|
17.7335180 17.7335175 17.7335182 17.7335176 17.7335178 17.7335173
|
|
17.7335177 17.7335177 17.7335177 17.7335177 17.7335183 17.7335171
|
|
17.7335174 17.7335180 17.7335177 17.7335175 17.7335177 17.7335179
|
|
17.7335179 17.7335177 17.7335175 17.7335177 17.7335183 17.7335171
|
|
17.7335174 17.7335180 17.7335177 17.7335177 17.7335177 17.7335177
|
|
17.7335178 17.7335173 17.7335182 17.7335176 17.7338476 17.7331868
|
|
17.7335180 17.7335175 17.7335177 17.7335175 17.7335177 17.7335179
|
|
17.7335178 17.7335173 17.7335182 17.7335176 17.7335177 17.7335179
|
|
17.7335176 17.7335177
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 86.94 TCPU 86.05
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 113.84 TCPU 112.91
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 117.79 TCPU 116.86
|
|
NUMERICALLY INTEGRATED DENSITY 1792.0012690099
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 121.48 TCPU 120.55
|
|
CYC 2 ETOT(AU) -3.982010621264E+04 DETOT -5.85E-01 tst 1.84E-04 PX 4.15E-02
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 121.70 TCPU 120.76
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 122.14 TCPU 121.20
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIIS TELAPSE 122.14 TCPU 121.20
|
|
DIIS TEST: 0.58890E+00 AT SCF CYCLE 2 - DIIS ACTIVE - HISTORY: 2 CYCLES
|
|
MAXIMUM MEMORY OCCUPIED BY DIIS: 1.661 Mb PER CORE
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 122.33 TCPU 121.39
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 122.74 TCPU 121.80
|
|
INSULATING STATE
|
|
TOP OF VALENCE BANDS - BAND 896; K 1; EIG -2.8580459E-01 AU
|
|
BOTTOM OF VIRTUAL BANDS - BAND 897; K 1; EIG 1.9107086E-02 AU
|
|
DIRECT ENERGY BAND GAP: 8.2971 eV
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT FERMI TELAPSE 122.74 TCPU 121.80
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PDIG TELAPSE 122.80 TCPU 121.86
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PROT TELAPSE 122.82 TCPU 121.89
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_KSPA TELAPSE 122.83 TCPU 121.89
|
|
CHARGE NORMALIZATION FACTOR 1.00000000
|
|
TOTAL ATOMIC CHARGES:
|
|
10.3169455 10.3170517 10.3169423 10.3168340 10.3169969 10.3169449
|
|
10.3169396 10.3168880 10.3169423 10.3169423 10.3169423 10.3169423
|
|
10.3168880 10.3169968 10.3169450 10.3169396 10.3169969 10.3169449
|
|
10.3169396 10.3168880 10.3169369 10.3169423 10.3169477 10.3169425
|
|
10.3169342 10.3169504 10.3169419 10.3169426 10.3169422 10.3169199
|
|
10.3169423 10.3169649 10.3169423 10.3169423 10.3169423 10.3169423
|
|
10.3169342 10.3169504 10.3169419 10.3169426 10.3169423 10.3169416
|
|
10.3169423 10.3169430 10.3169504 10.3169419 10.3169426 10.3169342
|
|
10.3168880 10.3169968 10.3169450 10.3169396 10.3169422 10.3169199
|
|
10.3169423 10.3169649 10.3169504 10.3169419 10.3169426 10.3169342
|
|
10.3169477 10.3169425 10.3169369 10.3169423 17.6830565 17.6830582
|
|
17.6830577 17.6830572 17.6830559 17.6830578 17.6830577 17.6830595
|
|
17.6830564 17.6830577 17.6830590 17.6830577 17.6831955 17.6829182
|
|
17.6830572 17.6830582 17.6830559 17.6830578 17.6830577 17.6830595
|
|
17.6830573 17.6830577 17.6830581 17.6830577 17.6830547 17.6830608
|
|
17.6830570 17.6830584 17.6830577 17.6830590 17.6830577 17.6830564
|
|
17.6830564 17.6830577 17.6830590 17.6830577 17.6830547 17.6830608
|
|
17.6830570 17.6830584 17.6830577 17.6830581 17.6830577 17.6830573
|
|
17.6830577 17.6830595 17.6830559 17.6830578 17.6831955 17.6829182
|
|
17.6830572 17.6830582 17.6830577 17.6830590 17.6830577 17.6830564
|
|
17.6830577 17.6830595 17.6830559 17.6830578 17.6830572 17.6830565
|
|
17.6830582 17.6830577
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 122.84 TCPU 121.90
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 149.89 TCPU 148.92
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 154.02 TCPU 153.04
|
|
NUMERICALLY INTEGRATED DENSITY 1792.0011947028
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 157.78 TCPU 156.80
|
|
CYC 3 ETOT(AU) -3.982055309942E+04 DETOT -4.47E-01 tst 7.44E-04 PX 7.40E-02
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 158.00 TCPU 157.02
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 158.43 TCPU 157.45
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIIS TELAPSE 158.43 TCPU 157.45
|
|
DIIS TEST: 0.56993E-03 AT SCF CYCLE 3 - DIIS ACTIVE - HISTORY: 3 CYCLES
|
|
MAXIMUM MEMORY OCCUPIED BY DIIS: 2.492 Mb PER CORE
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 158.62 TCPU 157.63
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 159.02 TCPU 158.04
|
|
INSULATING STATE
|
|
TOP OF VALENCE BANDS - BAND 896; K 1; EIG -2.8441995E-01 AU
|
|
BOTTOM OF VIRTUAL BANDS - BAND 897; K 1; EIG 2.0031949E-02 AU
|
|
DIRECT ENERGY BAND GAP: 8.2846 eV
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT FERMI TELAPSE 159.02 TCPU 158.04
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PDIG TELAPSE 159.08 TCPU 158.09
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PROT TELAPSE 159.11 TCPU 158.12
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_KSPA TELAPSE 159.11 TCPU 158.12
|
|
CHARGE NORMALIZATION FACTOR 1.00000000
|
|
TOTAL ATOMIC CHARGES:
|
|
10.3180101 10.3181226 10.3180070 10.3178927 10.3180646 10.3180108
|
|
10.3180032 10.3179496 10.3180070 10.3180070 10.3180070 10.3180070
|
|
10.3179496 10.3180646 10.3180108 10.3180032 10.3180646 10.3180108
|
|
10.3180032 10.3179496 10.3180023 10.3180070 10.3180117 10.3180072
|
|
10.3179985 10.3180155 10.3180076 10.3180064 10.3180069 10.3179809
|
|
10.3180070 10.3180334 10.3180070 10.3180070 10.3180070 10.3180070
|
|
10.3179985 10.3180155 10.3180076 10.3180064 10.3180070 10.3180081
|
|
10.3180070 10.3180059 10.3180155 10.3180076 10.3180064 10.3179985
|
|
10.3179496 10.3180646 10.3180108 10.3180032 10.3180069 10.3179809
|
|
10.3180070 10.3180334 10.3180155 10.3180076 10.3180064 10.3179985
|
|
10.3180117 10.3180072 10.3180023 10.3180070 17.6819917 17.6819954
|
|
17.6819930 17.6819905 17.6819922 17.6819931 17.6819929 17.6819938
|
|
17.6819923 17.6819930 17.6819937 17.6819930 17.6821249 17.6818595
|
|
17.6819929 17.6819931 17.6819922 17.6819931 17.6819929 17.6819938
|
|
17.6819925 17.6819930 17.6819934 17.6819930 17.6819915 17.6819945
|
|
17.6819922 17.6819938 17.6819930 17.6819937 17.6819930 17.6819923
|
|
17.6819923 17.6819930 17.6819937 17.6819930 17.6819915 17.6819945
|
|
17.6819922 17.6819938 17.6819930 17.6819934 17.6819930 17.6819925
|
|
17.6819929 17.6819938 17.6819922 17.6819931 17.6821249 17.6818595
|
|
17.6819929 17.6819931 17.6819930 17.6819937 17.6819930 17.6819923
|
|
17.6819929 17.6819938 17.6819922 17.6819931 17.6819905 17.6819917
|
|
17.6819954 17.6819930
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 159.12 TCPU 158.14
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 186.41 TCPU 185.39
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 190.48 TCPU 189.46
|
|
NUMERICALLY INTEGRATED DENSITY 1792.0011921565
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 194.24 TCPU 193.20
|
|
CYC 4 ETOT(AU) -3.982055356393E+04 DETOT -4.65E-04 tst 6.28E-07 PX 3.15E-03
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 194.45 TCPU 193.42
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 194.92 TCPU 193.88
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIIS TELAPSE 194.92 TCPU 193.88
|
|
DIIS TEST: 0.96203E-05 AT SCF CYCLE 4 - DIIS ACTIVE - HISTORY: 4 CYCLES
|
|
MAXIMUM MEMORY OCCUPIED BY DIIS: 3.322 Mb PER CORE
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 195.13 TCPU 194.09
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 195.49 TCPU 194.46
|
|
INSULATING STATE
|
|
TOP OF VALENCE BANDS - BAND 896; K 1; EIG -2.8447551E-01 AU
|
|
BOTTOM OF VIRTUAL BANDS - BAND 897; K 1; EIG 2.0016720E-02 AU
|
|
DIRECT ENERGY BAND GAP: 8.2857 eV
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT FERMI TELAPSE 195.49 TCPU 194.46
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PDIG TELAPSE 195.55 TCPU 194.51
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PROT TELAPSE 195.57 TCPU 194.54
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_KSPA TELAPSE 195.57 TCPU 194.54
|
|
CHARGE NORMALIZATION FACTOR 1.00000000
|
|
TOTAL ATOMIC CHARGES:
|
|
10.3178988 10.3180043 10.3178957 10.3177883 10.3179498 10.3178984
|
|
10.3178930 10.3178418 10.3178957 10.3178957 10.3178957 10.3178957
|
|
10.3178418 10.3179498 10.3178984 10.3178929 10.3179498 10.3178984
|
|
10.3178930 10.3178418 10.3178906 10.3178957 10.3179007 10.3178959
|
|
10.3178879 10.3179035 10.3178956 10.3178958 10.3178956 10.3178695
|
|
10.3178957 10.3179221 10.3178957 10.3178957 10.3178957 10.3178957
|
|
10.3178879 10.3179035 10.3178956 10.3178958 10.3178957 10.3178955
|
|
10.3178957 10.3178959 10.3179035 10.3178956 10.3178958 10.3178879
|
|
10.3178418 10.3179498 10.3178984 10.3178929 10.3178956 10.3178695
|
|
10.3178957 10.3179221 10.3179035 10.3178956 10.3178958 10.3178879
|
|
10.3179007 10.3178959 10.3178906 10.3178957 17.6821030 17.6821046
|
|
17.6821043 17.6821040 17.6821027 17.6821044 17.6821043 17.6821059
|
|
17.6821035 17.6821043 17.6821052 17.6821043 17.6822394 17.6819675
|
|
17.6821036 17.6821051 17.6821027 17.6821044 17.6821043 17.6821059
|
|
17.6821039 17.6821043 17.6821047 17.6821043 17.6821019 17.6821068
|
|
17.6821035 17.6821051 17.6821043 17.6821052 17.6821043 17.6821035
|
|
17.6821035 17.6821043 17.6821052 17.6821043 17.6821019 17.6821068
|
|
17.6821035 17.6821051 17.6821043 17.6821047 17.6821043 17.6821039
|
|
17.6821043 17.6821059 17.6821027 17.6821044 17.6822394 17.6819675
|
|
17.6821036 17.6821051 17.6821043 17.6821052 17.6821043 17.6821035
|
|
17.6821043 17.6821059 17.6821027 17.6821044 17.6821040 17.6821030
|
|
17.6821046 17.6821043
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 195.59 TCPU 194.55
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 222.79 TCPU 221.73
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 226.91 TCPU 225.83
|
|
NUMERICALLY INTEGRATED DENSITY 1792.0011922850
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 230.66 TCPU 229.58
|
|
CYC 5 ETOT(AU) -3.982055357303E+04 DETOT -9.10E-06 tst 8.82E-09 PX 3.21E-04
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 230.87 TCPU 229.79
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 231.34 TCPU 230.26
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIIS TELAPSE 231.34 TCPU 230.26
|
|
DIIS TEST: 0.15312E-06 AT SCF CYCLE 5 - DIIS ACTIVE - HISTORY: 5 CYCLES
|
|
MAXIMUM MEMORY OCCUPIED BY DIIS: 4.153 Mb PER CORE
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 231.53 TCPU 230.45
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 231.93 TCPU 230.85
|
|
INSULATING STATE
|
|
TOP OF VALENCE BANDS - BAND 896; K 1; EIG -2.8445644E-01 AU
|
|
BOTTOM OF VIRTUAL BANDS - BAND 897; K 1; EIG 2.0041312E-02 AU
|
|
DIRECT ENERGY BAND GAP: 8.2858 eV
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT FERMI TELAPSE 231.93 TCPU 230.85
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PDIG TELAPSE 231.99 TCPU 230.91
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PROT TELAPSE 232.02 TCPU 230.93
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_KSPA TELAPSE 232.02 TCPU 230.93
|
|
CHARGE NORMALIZATION FACTOR 1.00000000
|
|
TOTAL ATOMIC CHARGES:
|
|
10.3178825 10.3179921 10.3178794 10.3177679 10.3179356 10.3178829
|
|
10.3178759 10.3178234 10.3178794 10.3178794 10.3178794 10.3178794
|
|
10.3178235 10.3179355 10.3178829 10.3178759 10.3179356 10.3178829
|
|
10.3178759 10.3178234 10.3178746 10.3178794 10.3178842 10.3178796
|
|
10.3178711 10.3178877 10.3178797 10.3178790 10.3178793 10.3178538
|
|
10.3178794 10.3179053 10.3178794 10.3178794 10.3178794 10.3178794
|
|
10.3178711 10.3178877 10.3178797 10.3178790 10.3178794 10.3178801
|
|
10.3178794 10.3178787 10.3178877 10.3178797 10.3178790 10.3178711
|
|
10.3178235 10.3179355 10.3178829 10.3178759 10.3178793 10.3178538
|
|
10.3178794 10.3179053 10.3178877 10.3178797 10.3178790 10.3178711
|
|
10.3178842 10.3178796 10.3178746 10.3178794 17.6821193 17.6821224
|
|
17.6821206 17.6821187 17.6821195 17.6821207 17.6821205 17.6821217
|
|
17.6821197 17.6821206 17.6821215 17.6821206 17.6822535 17.6819861
|
|
17.6821204 17.6821208 17.6821195 17.6821207 17.6821205 17.6821217
|
|
17.6821201 17.6821206 17.6821211 17.6821206 17.6821186 17.6821226
|
|
17.6821198 17.6821214 17.6821206 17.6821215 17.6821206 17.6821197
|
|
17.6821197 17.6821206 17.6821215 17.6821206 17.6821186 17.6821226
|
|
17.6821198 17.6821214 17.6821206 17.6821211 17.6821206 17.6821201
|
|
17.6821205 17.6821217 17.6821195 17.6821207 17.6822535 17.6819861
|
|
17.6821204 17.6821208 17.6821206 17.6821215 17.6821206 17.6821197
|
|
17.6821205 17.6821217 17.6821195 17.6821207 17.6821187 17.6821193
|
|
17.6821224 17.6821206
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 232.03 TCPU 230.95
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 259.09 TCPU 257.97
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 263.21 TCPU 262.09
|
|
NUMERICALLY INTEGRATED DENSITY 1792.0011922755
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 266.92 TCPU 265.79
|
|
CYC 6 ETOT(AU) -3.982055357309E+04 DETOT -5.84E-08 tst 1.32E-10 PX 5.37E-05
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 267.14 TCPU 266.02
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 267.64 TCPU 266.51
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIIS TELAPSE 267.64 TCPU 266.51
|
|
DIIS TEST: 0.69412E-09 AT SCF CYCLE 6 - DIIS ACTIVE - HISTORY: 6 CYCLES
|
|
MAXIMUM MEMORY OCCUPIED BY DIIS: 4.983 Mb PER CORE
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 267.85 TCPU 266.72
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 268.22 TCPU 267.09
|
|
INSULATING STATE
|
|
TOP OF VALENCE BANDS - BAND 896; K 1; EIG -2.8445676E-01 AU
|
|
BOTTOM OF VIRTUAL BANDS - BAND 897; K 1; EIG 2.0042069E-02 AU
|
|
DIRECT ENERGY BAND GAP: 8.2858 eV
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT FERMI TELAPSE 268.22 TCPU 267.10
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PDIG TELAPSE 268.28 TCPU 267.15
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PROT TELAPSE 268.31 TCPU 267.18
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_KSPA TELAPSE 268.31 TCPU 267.18
|
|
CHARGE NORMALIZATION FACTOR 1.00000000
|
|
TOTAL ATOMIC CHARGES:
|
|
10.3178801 10.3179870 10.3178769 10.3177682 10.3179318 10.3178798
|
|
10.3178740 10.3178223 10.3178769 10.3178769 10.3178769 10.3178769
|
|
10.3178224 10.3179317 10.3178798 10.3178740 10.3179318 10.3178798
|
|
10.3178740 10.3178223 10.3178719 10.3178769 10.3178819 10.3178771
|
|
10.3178691 10.3178848 10.3178769 10.3178769 10.3178768 10.3178507
|
|
10.3178769 10.3179034 10.3178769 10.3178769 10.3178769 10.3178769
|
|
10.3178691 10.3178848 10.3178769 10.3178769 10.3178769 10.3178770
|
|
10.3178769 10.3178769 10.3178848 10.3178769 10.3178769 10.3178690
|
|
10.3178224 10.3179317 10.3178798 10.3178740 10.3178768 10.3178507
|
|
10.3178769 10.3179034 10.3178848 10.3178769 10.3178769 10.3178690
|
|
10.3178819 10.3178771 10.3178719 10.3178769 17.6821218 17.6821237
|
|
17.6821231 17.6821224 17.6821216 17.6821231 17.6821230 17.6821245
|
|
17.6821223 17.6821230 17.6821239 17.6821231 17.6822575 17.6819870
|
|
17.6821224 17.6821237 17.6821216 17.6821231 17.6821230 17.6821245
|
|
17.6821226 17.6821231 17.6821235 17.6821231 17.6821208 17.6821254
|
|
17.6821222 17.6821239 17.6821230 17.6821239 17.6821231 17.6821223
|
|
17.6821223 17.6821230 17.6821239 17.6821231 17.6821208 17.6821254
|
|
17.6821222 17.6821239 17.6821231 17.6821235 17.6821231 17.6821226
|
|
17.6821230 17.6821245 17.6821216 17.6821231 17.6822575 17.6819870
|
|
17.6821224 17.6821237 17.6821230 17.6821239 17.6821231 17.6821223
|
|
17.6821230 17.6821245 17.6821216 17.6821231 17.6821224 17.6821218
|
|
17.6821237 17.6821231
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 268.33 TCPU 267.19
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 295.34 TCPU 294.17
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 299.48 TCPU 298.31
|
|
NUMERICALLY INTEGRATED DENSITY 1792.0011922772
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 303.19 TCPU 302.01
|
|
CYC 7 ETOT(AU) -3.982055357310E+04 DETOT -1.35E-08 tst 6.88E-13 PX 3.19E-06
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 303.40 TCPU 302.22
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 303.94 TCPU 302.76
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIIS TELAPSE 303.94 TCPU 302.76
|
|
DIIS TEST: 0.19533E-09 AT SCF CYCLE 7 - DIIS ACTIVE - HISTORY: 7 CYCLES
|
|
MAXIMUM MEMORY OCCUPIED BY DIIS: 5.814 Mb PER CORE
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 304.15 TCPU 302.96
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 304.54 TCPU 303.35
|
|
INSULATING STATE
|
|
TOP OF VALENCE BANDS - BAND 896; K 1; EIG -2.8445677E-01 AU
|
|
BOTTOM OF VIRTUAL BANDS - BAND 897; K 1; EIG 2.0042168E-02 AU
|
|
DIRECT ENERGY BAND GAP: 8.2858 eV
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT FERMI TELAPSE 304.54 TCPU 303.35
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PDIG TELAPSE 304.60 TCPU 303.41
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PROT TELAPSE 304.62 TCPU 303.44
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_KSPA TELAPSE 304.62 TCPU 303.44
|
|
CHARGE NORMALIZATION FACTOR 1.00000000
|
|
TOTAL ATOMIC CHARGES:
|
|
10.3178797 10.3179878 10.3178766 10.3177667 10.3179320 10.3178798
|
|
10.3178734 10.3178215 10.3178766 10.3178766 10.3178766 10.3178766
|
|
10.3178215 10.3179320 10.3178798 10.3178734 10.3179320 10.3178798
|
|
10.3178734 10.3178215 10.3178717 10.3178766 10.3178815 10.3178768
|
|
10.3178686 10.3178847 10.3178768 10.3178764 10.3178765 10.3178507
|
|
10.3178766 10.3179028 10.3178766 10.3178766 10.3178766 10.3178766
|
|
10.3178686 10.3178847 10.3178768 10.3178764 10.3178766 10.3178770
|
|
10.3178766 10.3178763 10.3178847 10.3178768 10.3178764 10.3178685
|
|
10.3178215 10.3179320 10.3178798 10.3178734 10.3178765 10.3178507
|
|
10.3178766 10.3179028 10.3178847 10.3178768 10.3178764 10.3178685
|
|
10.3178815 10.3178768 10.3178717 10.3178766 17.6821221 17.6821245
|
|
17.6821234 17.6821221 17.6821221 17.6821235 17.6821233 17.6821247
|
|
17.6821225 17.6821233 17.6821243 17.6821234 17.6822571 17.6819880
|
|
17.6821230 17.6821238 17.6821221 17.6821235 17.6821233 17.6821247
|
|
17.6821229 17.6821234 17.6821238 17.6821234 17.6821212 17.6821256
|
|
17.6821226 17.6821242 17.6821233 17.6821243 17.6821234 17.6821225
|
|
17.6821225 17.6821233 17.6821243 17.6821234 17.6821212 17.6821256
|
|
17.6821226 17.6821242 17.6821234 17.6821238 17.6821234 17.6821229
|
|
17.6821233 17.6821247 17.6821221 17.6821235 17.6822571 17.6819880
|
|
17.6821230 17.6821238 17.6821233 17.6821243 17.6821234 17.6821225
|
|
17.6821233 17.6821247 17.6821221 17.6821235 17.6821221 17.6821221
|
|
17.6821245 17.6821234
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 304.64 TCPU 303.45
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 331.71 TCPU 330.48
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 336.00 TCPU 334.77
|
|
NUMERICALLY INTEGRATED DENSITY 1792.0011922774
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 339.73 TCPU 338.49
|
|
CYC 8 ETOT(AU) -3.982055357310E+04 DETOT -1.55E-09 tst 4.59E-14 PX 1.01E-06
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 339.94 TCPU 338.70
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 340.48 TCPU 339.25
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIIS TELAPSE 340.48 TCPU 339.25
|
|
DIIS TEST: 0.28479E-12 AT SCF CYCLE 8 - DIIS ACTIVE - HISTORY: 8 CYCLES
|
|
MAXIMUM MEMORY OCCUPIED BY DIIS: 6.645 Mb PER CORE
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 340.68 TCPU 339.45
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 341.07 TCPU 339.84
|
|
INSULATING STATE
|
|
TOP OF VALENCE BANDS - BAND 896; K 1; EIG -2.8445676E-01 AU
|
|
BOTTOM OF VIRTUAL BANDS - BAND 897; K 1; EIG 2.0042183E-02 AU
|
|
DIRECT ENERGY BAND GAP: 8.2858 eV
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT FERMI TELAPSE 341.07 TCPU 339.84
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PDIG TELAPSE 341.13 TCPU 339.89
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PROT TELAPSE 341.16 TCPU 339.92
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_KSPA TELAPSE 341.16 TCPU 339.92
|
|
CHARGE NORMALIZATION FACTOR 1.00000000
|
|
TOTAL ATOMIC CHARGES:
|
|
10.3178797 10.3179878 10.3178766 10.3177667 10.3179320 10.3178798
|
|
10.3178734 10.3178214 10.3178766 10.3178766 10.3178766 10.3178766
|
|
10.3178214 10.3179320 10.3178798 10.3178734 10.3179320 10.3178798
|
|
10.3178734 10.3178214 10.3178717 10.3178766 10.3178815 10.3178768
|
|
10.3178685 10.3178847 10.3178768 10.3178764 10.3178765 10.3178507
|
|
10.3178766 10.3179028 10.3178766 10.3178766 10.3178766 10.3178766
|
|
10.3178685 10.3178847 10.3178768 10.3178764 10.3178766 10.3178769
|
|
10.3178766 10.3178763 10.3178847 10.3178768 10.3178764 10.3178685
|
|
10.3178214 10.3179320 10.3178798 10.3178734 10.3178765 10.3178507
|
|
10.3178766 10.3179028 10.3178847 10.3178768 10.3178764 10.3178685
|
|
10.3178815 10.3178768 10.3178717 10.3178766 17.6821221 17.6821245
|
|
17.6821234 17.6821222 17.6821221 17.6821235 17.6821233 17.6821247
|
|
17.6821225 17.6821234 17.6821243 17.6821234 17.6822571 17.6819880
|
|
17.6821230 17.6821238 17.6821221 17.6821235 17.6821233 17.6821247
|
|
17.6821229 17.6821234 17.6821238 17.6821234 17.6821212 17.6821256
|
|
17.6821226 17.6821242 17.6821234 17.6821243 17.6821234 17.6821226
|
|
17.6821225 17.6821234 17.6821243 17.6821234 17.6821212 17.6821256
|
|
17.6821226 17.6821242 17.6821234 17.6821238 17.6821234 17.6821229
|
|
17.6821233 17.6821247 17.6821221 17.6821235 17.6822571 17.6819880
|
|
17.6821230 17.6821238 17.6821234 17.6821243 17.6821234 17.6821226
|
|
17.6821233 17.6821247 17.6821221 17.6821235 17.6821222 17.6821221
|
|
17.6821245 17.6821234
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 341.18 TCPU 339.94
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 368.15 TCPU 366.88
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 372.27 TCPU 371.00
|
|
NUMERICALLY INTEGRATED DENSITY 1792.0011922774
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 375.97 TCPU 374.69
|
|
CYC 9 ETOT(AU) -3.982055357310E+04 DETOT 8.73E-11 tst 8.26E-17 PX 3.86E-08
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 376.19 TCPU 374.91
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 376.75 TCPU 375.47
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIIS TELAPSE 376.75 TCPU 375.47
|
|
DIIS TEST: 0.43260E-13 AT SCF CYCLE 9 - DIIS ACTIVE - HISTORY: 9 CYCLES
|
|
MAXIMUM MEMORY OCCUPIED BY DIIS: 7.475 Mb PER CORE
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_TRAF TELAPSE 376.96 TCPU 375.67
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_DIAG TELAPSE 377.33 TCPU 376.05
|
|
INSULATING STATE
|
|
TOP OF VALENCE BANDS - BAND 896; K 1; EIG -2.8445675E-01 AU
|
|
BOTTOM OF VIRTUAL BANDS - BAND 897; K 1; EIG 2.0042189E-02 AU
|
|
DIRECT ENERGY BAND GAP: 8.2858 eV
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT FERMI TELAPSE 377.33 TCPU 376.05
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PDIG TELAPSE 377.39 TCPU 376.10
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_PROT TELAPSE 377.42 TCPU 376.13
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MPP_KSPA TELAPSE 377.42 TCPU 376.13
|
|
CHARGE NORMALIZATION FACTOR 1.00000000
|
|
TOTAL ATOMIC CHARGES:
|
|
10.3178797 10.3179878 10.3178766 10.3177667 10.3179320 10.3178798
|
|
10.3178734 10.3178214 10.3178766 10.3178766 10.3178766 10.3178766
|
|
10.3178214 10.3179320 10.3178798 10.3178734 10.3179320 10.3178798
|
|
10.3178734 10.3178214 10.3178717 10.3178766 10.3178815 10.3178768
|
|
10.3178685 10.3178847 10.3178768 10.3178764 10.3178765 10.3178507
|
|
10.3178766 10.3179028 10.3178766 10.3178766 10.3178766 10.3178766
|
|
10.3178685 10.3178847 10.3178768 10.3178764 10.3178766 10.3178769
|
|
10.3178766 10.3178763 10.3178847 10.3178768 10.3178764 10.3178685
|
|
10.3178214 10.3179320 10.3178798 10.3178734 10.3178765 10.3178507
|
|
10.3178766 10.3179028 10.3178847 10.3178768 10.3178764 10.3178685
|
|
10.3178815 10.3178768 10.3178717 10.3178766 17.6821221 17.6821245
|
|
17.6821234 17.6821222 17.6821221 17.6821235 17.6821233 17.6821247
|
|
17.6821225 17.6821234 17.6821243 17.6821234 17.6822571 17.6819880
|
|
17.6821230 17.6821238 17.6821221 17.6821235 17.6821233 17.6821247
|
|
17.6821229 17.6821234 17.6821238 17.6821234 17.6821212 17.6821256
|
|
17.6821226 17.6821242 17.6821234 17.6821243 17.6821234 17.6821225
|
|
17.6821225 17.6821234 17.6821243 17.6821234 17.6821212 17.6821256
|
|
17.6821226 17.6821242 17.6821234 17.6821238 17.6821234 17.6821229
|
|
17.6821233 17.6821247 17.6821221 17.6821235 17.6822571 17.6819880
|
|
17.6821230 17.6821238 17.6821234 17.6821243 17.6821234 17.6821225
|
|
17.6821233 17.6821247 17.6821221 17.6821235 17.6821222 17.6821221
|
|
17.6821245 17.6821234
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MOQGAD TELAPSE 377.43 TCPU 376.15
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELLXN TELAPSE 404.33 TCPU 403.01
|
|
+++ ENERGIES IN A.U. +++
|
|
::: EXT EL-POLE -3.4236319518174E+04
|
|
::: EXT EL-SPHEROPOLE 2.6628037327972E+02
|
|
::: BIELET ZONE E-E 4.5100994620731E+04
|
|
::: TOTAL E-E 1.1130955475838E+04
|
|
::: TOTAL E-N + N-E -8.1629734903192E+04
|
|
::: TOTAL N-N -6.9541368150219E+03
|
|
::: KINETIC ENERGY 3.9688732020499E+04
|
|
::: PSEUDO TOTAL ENERGY -3.7764184221878E+04
|
|
::: VIRIAL COEFFICIENT 1.0248479707671E+00
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT MONMO3 TELAPSE 408.53 TCPU 407.21
|
|
NUMERICALLY INTEGRATED DENSITY 1792.0011922774
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFT TELAPSE 412.23 TCPU 410.90
|
|
CYC 10 ETOT(AU) -3.982055357310E+04 DETOT -5.09E-11 tst 6.77E-18 PX 3.86E-08
|
|
|
|
== SCF ENDED - CONVERGENCE ON ENERGY E(AU) -3.9820553573102E+04 CYCLES 10
|
|
|
|
|
|
ENERGY EXPRESSION=HARTREE+FOCK EXCH*0.25000+(PBE EXCH)*0.75000+PBE CORR
|
|
|
|
|
|
TOTAL ENERGY(DFT)(AU)( 10) -3.9820553573102E+04 DE-5.1E-11 tester 6.8E-18
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT EDFT TELAPSE 412.26 TCPU 410.93
|
|
|
|
*******************************************************************************
|
|
* FORCE CALCULATION *
|
|
*******************************************************************************
|
|
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT NUMDFG TELAPSE 487.70 TCPU 486.28
|
|
INFORMATION **** EXCPOG **** EXCH. BIPO BUFFER LENGTH (WORDS) = 25914240
|
|
INFORMATION **** GENPOG **** BIPO BUFFER LENGTH (WORDS) = 4672000
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SHELXG TELAPSE 581.82 TCPU 580.28
|
|
|
|
CARTESIAN FORCES IN HARTREE/BOHR (ANALYTICAL)
|
|
ATOM X Y Z
|
|
1 11 -4.185323226880E-09 -4.092623834540E-04 -4.092623785961E-04
|
|
2 11 -4.502540784657E-09 3.964976743620E-05 3.964979211801E-05
|
|
3 11 9.451639471081E-11 8.337433698256E-06 8.337453142724E-06
|
|
4 11 -1.422479911639E-10 3.947598591547E-05 3.947597661336E-05
|
|
5 11 3.387936068532E-05 -1.160237275709E-05 5.586501937244E-06
|
|
6 11 4.086423564975E-06 4.019362915220E-06 7.642718357183E-06
|
|
7 11 -4.108760618848E-06 7.530245199058E-06 4.078021532017E-06
|
|
8 11 -3.397217933183E-05 5.732022350602E-06 -1.149249580624E-05
|
|
9 11 7.030101103311E-06 -1.368677506330E-06 1.307675951979E-06
|
|
10 11 2.816784548665E-08 -2.484237811295E-08 -3.649060419109E-08
|
|
11 11 -7.030182733903E-06 1.307901475802E-06 -1.368877397989E-06
|
|
12 11 -2.830039247392E-08 -3.606134291179E-08 -2.564030121555E-08
|
|
13 11 3.397257950872E-05 -1.149281201507E-05 5.731401632403E-06
|
|
14 11 -3.388013901500E-05 5.586817185765E-06 -1.160011272638E-05
|
|
15 11 -4.086363137212E-06 7.642755843182E-06 4.019580479575E-06
|
|
16 11 4.108046871359E-06 4.078614647129E-06 7.530309679058E-06
|
|
17 11 3.387936497706E-05 5.586478775688E-06 -1.160235832406E-05
|
|
18 11 4.086461875774E-06 7.642744401369E-06 4.019342882244E-06
|
|
19 11 -4.108238468525E-06 4.078135211416E-06 7.529816276537E-06
|
|
20 11 -3.397218196296E-05 -1.149251832662E-05 5.731980068285E-06
|
|
21 11 8.273774016979E-06 1.510974366320E-07 1.511147781769E-07
|
|
22 11 1.823704021131E-09 1.203473396303E-06 1.203533760002E-06
|
|
23 11 -8.079142277351E-06 1.391025889752E-07 1.390860573380E-07
|
|
24 11 -3.936951217809E-08 -4.966255404636E-07 -4.966701435442E-07
|
|
25 11 3.874209675216E-06 -3.921155574904E-06 -6.001171011489E-07
|
|
26 11 -3.934688147916E-06 -5.673940334185E-07 -3.997689488389E-06
|
|
27 11 -2.152921747126E-06 3.599665446774E-06 9.747968572338E-07
|
|
28 11 2.162072572814E-06 9.453923652814E-07 3.577588577636E-06
|
|
29 11 2.941080712304E-11 -2.829757469659E-05 -2.821498955154E-05
|
|
30 11 -4.581734991405E-11 2.456462394850E-05 -5.162045618734E-07
|
|
31 11 2.011724120621E-13 5.745525373246E-06 5.734076057085E-06
|
|
32 11 -2.806854748627E-11 -4.864971764329E-07 2.456468989586E-05
|
|
33 11 7.030038837341E-06 1.307627303568E-06 -1.368869044616E-06
|
|
34 11 2.800279279291E-08 -3.674426635181E-08 -2.528701814608E-08
|
|
35 11 -7.030145517228E-06 -1.368941428326E-06 1.307883527351E-06
|
|
36 11 -2.854627401128E-08 -2.590646874800E-08 -3.661214131867E-08
|
|
37 11 3.874229826537E-06 -5.999138163648E-07 -3.921167892662E-06
|
|
38 11 -3.934728353278E-06 -3.997719156879E-06 -5.673732240062E-07
|
|
39 11 -2.152911698971E-06 9.748488623007E-07 3.599619643302E-06
|
|
40 11 2.162100370946E-06 3.577616628947E-06 9.453231378798E-07
|
|
41 11 4.351929927537E-11 -5.710751900072E-06 -5.710766688416E-06
|
|
42 11 1.281712791457E-10 1.419009783510E-06 1.419022646887E-06
|
|
43 11 -2.831789802649E-10 2.883474482922E-06 2.883440869728E-06
|
|
44 11 -7.130428331115E-10 1.409089711357E-06 1.408963385158E-06
|
|
45 11 3.934678260209E-06 -5.672377934189E-07 -3.997690363300E-06
|
|
46 11 2.153189016429E-06 3.599018752631E-06 9.748308600750E-07
|
|
47 11 -2.162536131061E-06 9.454914948085E-07 3.577927766008E-06
|
|
48 11 -3.874520197678E-06 -3.921406414642E-06 -6.002294597847E-07
|
|
49 11 3.397262252335E-05 5.731463557535E-06 -1.149273918388E-05
|
|
50 11 -3.388051900772E-05 -1.160020581858E-05 5.586900415966E-06
|
|
51 11 -4.086497628549E-06 4.018716813770E-06 7.642285179760E-06
|
|
52 11 4.108273305529E-06 7.530261654488E-06 4.078804128227E-06
|
|
53 11 5.047046114370E-12 -2.821501509556E-05 -2.829756837788E-05
|
|
54 11 -6.688138931565E-11 -5.161956300181E-07 2.456464104420E-05
|
|
55 11 -7.688305547759E-11 5.734064375429E-06 5.745523793177E-06
|
|
56 11 3.012068372499E-11 2.456468376294E-05 -4.865043993219E-07
|
|
57 11 3.934884884149E-06 -3.997706004621E-06 -5.672233830348E-07
|
|
58 11 2.153199266656E-06 9.748668235312E-07 3.599041024926E-06
|
|
59 11 -2.163037162996E-06 3.577405588817E-06 9.442273340993E-07
|
|
60 11 -3.874434289841E-06 -6.002952573914E-07 -3.921371474258E-06
|
|
61 11 8.079062841171E-06 1.390778996413E-07 1.390854458272E-07
|
|
62 11 4.016836485654E-08 -4.966764745003E-07 -4.966657347597E-07
|
|
63 11 -8.274089969840E-06 1.511285265821E-07 1.511266307652E-07
|
|
64 11 -2.012555233577E-09 1.203440818288E-06 1.203515823101E-06
|
|
65 17 -4.492885143978E-07 3.676462478635E-05 3.676462060915E-05
|
|
66 17 -1.816418647271E-05 -8.664400499681E-06 -8.664402266156E-06
|
|
67 17 2.052095071647E-08 -6.064153790602E-06 -6.064111323904E-06
|
|
68 17 1.819225944694E-05 -8.756439279778E-06 -8.756436678192E-06
|
|
69 17 -4.145834016034E-06 1.876603530904E-06 6.165129579072E-07
|
|
70 17 -3.934338328682E-06 1.319004100941E-07 -2.112101444756E-06
|
|
71 17 3.953867905915E-06 -2.131231760201E-06 8.995696254566E-08
|
|
72 17 4.173732495338E-06 6.127714441417E-07 1.822712438870E-06
|
|
73 17 -8.916251625115E-06 1.827115837183E-06 -8.270479351154E-06
|
|
74 17 -4.179221371626E-08 9.491529374683E-06 9.421326534198E-06
|
|
75 17 8.926018958238E-06 -8.255539977730E-06 1.885833001314E-06
|
|
76 17 -1.132468112304E-08 -3.244145732495E-06 -3.237184608484E-06
|
|
77 17 -3.380769997285E-09 3.670243201448E-05 1.150254750479E-04
|
|
78 17 2.763665296612E-09 1.193061795364E-04 3.657914607158E-05
|
|
79 17 -3.310553831071E-09 -1.241231797610E-05 -8.288338320561E-06
|
|
80 17 3.414954097281E-09 -8.340700868636E-06 -1.241649470873E-05
|
|
81 17 -4.145827296298E-06 6.165013618498E-07 1.876930063482E-06
|
|
82 17 -3.934370577052E-06 -2.111759585310E-06 1.319331758287E-07
|
|
83 17 3.953451931105E-06 8.991325106678E-08 -2.131084413673E-06
|
|
84 17 4.173734289792E-06 1.822672539897E-06 6.127665223010E-07
|
|
85 17 -2.842667663143E-06 -3.546834796420E-07 -3.544413875178E-07
|
|
86 17 -2.536231770654E-08 1.833503849483E-06 1.833506874797E-06
|
|
87 17 2.872060692687E-06 -3.548513004548E-07 -3.548411762755E-07
|
|
88 17 1.351678910333E-09 -1.116364097231E-06 -1.116360850187E-06
|
|
89 17 -2.862989567642E-09 9.540962174648E-06 -4.090925753761E-06
|
|
90 17 3.263475212290E-09 -4.094982392100E-06 9.558138715060E-06
|
|
91 17 -3.615873878093E-09 -4.305795308523E-06 -1.111385646957E-06
|
|
92 17 3.415370153359E-09 -1.117566391873E-06 -4.300922018419E-06
|
|
93 17 4.192541591674E-08 9.518711754808E-06 9.449447415266E-06
|
|
94 17 -8.925567755606E-06 -8.261470414212E-06 1.879214363616E-06
|
|
95 17 1.145103134537E-08 -3.216665875494E-06 -3.208816680644E-06
|
|
96 17 8.916210987552E-06 1.821092558402E-06 -8.277260624912E-06
|
|
97 17 -8.916393388117E-06 -8.270622814698E-06 1.826909810543E-06
|
|
98 17 -4.153531328785E-08 9.421391103437E-06 9.491528406624E-06
|
|
99 17 8.926024099018E-06 1.886209139546E-06 -8.255703582818E-06
|
|
100 17 -1.056049634912E-08 -3.237050001825E-06 -3.243537217257E-06
|
|
101 17 -2.880691907237E-09 -4.090975324667E-06 9.540959593324E-06
|
|
102 17 3.124357161877E-09 9.558108319874E-06 -4.094858095191E-06
|
|
103 17 -3.597406594835E-09 -1.111383080343E-06 -4.305755095690E-06
|
|
104 17 3.757620659073E-09 -4.300929697720E-06 -1.117532241079E-06
|
|
105 17 2.551516464777E-08 1.840039926881E-06 1.839837204224E-06
|
|
106 17 -2.872824879263E-06 -3.824541722763E-07 -3.825554039105E-07
|
|
107 17 -1.291703431303E-09 -1.109008537568E-06 -1.109574195545E-06
|
|
108 17 2.843148378728E-06 -3.815144455355E-07 -3.812105852097E-07
|
|
109 17 -3.960114252077E-06 -2.130492335628E-06 8.990184308111E-08
|
|
110 17 -4.167619863105E-06 6.125429541926E-07 1.822878399782E-06
|
|
111 17 4.139727860786E-06 1.876942118728E-06 6.165111976486E-07
|
|
112 17 3.940798315227E-06 1.319380924514E-07 -2.111930537115E-06
|
|
113 17 -3.382147506503E-09 1.150254703950E-04 3.670242987797E-05
|
|
114 17 3.259806258260E-09 3.657927065415E-05 1.193062532068E-04
|
|
115 17 -3.392414127390E-09 -8.288351913466E-06 -1.241218041504E-05
|
|
116 17 3.278575633203E-09 -1.241664831486E-05 -8.340865639056E-06
|
|
117 17 4.198242764542E-08 9.449393606864E-06 9.518814074794E-06
|
|
118 17 -8.925571232506E-06 1.879209124578E-06 -8.261469843562E-06
|
|
119 17 1.137904093174E-08 -3.209088757339E-06 -3.215715471294E-06
|
|
120 17 8.916223022194E-06 -8.277254104419E-06 1.821051566578E-06
|
|
121 17 -3.960046917495E-06 8.989165478646E-08 -2.130851087637E-06
|
|
122 17 -4.167617112083E-06 1.822307876709E-06 6.123647359191E-07
|
|
123 17 4.139838246542E-06 6.164899239436E-07 1.876935446732E-06
|
|
124 17 3.940779126577E-06 -2.112187060477E-06 1.320728126863E-07
|
|
125 17 -1.819083590777E-05 -8.728869039354E-06 -8.728962961335E-06
|
|
126 17 4.529420647934E-07 3.675993606902E-05 3.675992713927E-05
|
|
127 17 1.817052989007E-05 -8.640095285450E-06 -8.639808269706E-06
|
|
128 17 -2.078275861942E-08 -6.070465526031E-06 -6.071325478363E-06
|
|
|
|
RESULTANT FORCE 6.747862851304E-13 -1.632734529175E-12 -9.819665696895E-13
|
|
|
|
SYMMETRY ALLOWED FORCES (ANALYTICAL) (DIRECTION, FORCE)
|
|
|
|
1 -4.2017739E-09 2 -4.1087049E-04 3 -4.1087049E-04 4 -4.5534639E-09
|
|
5 3.6571496E-05 6 3.6571521E-05 7 2.5661773E-11 8 5.4255732E-06
|
|
9 5.4255929E-06 10 -2.1184927E-10 11 3.6733012E-05 12 3.6733003E-05
|
|
13 3.4016732E-05 14 -1.4255124E-05 15 3.0034828E-06 16 4.3796342E-06
|
|
17 1.3141340E-06 18 5.0926278E-06 19 -3.8132977E-06 20 4.8503103E-06
|
|
21 1.5551464E-06 22 -3.3832535E-05 23 3.0848626E-06 24 -1.4067207E-05
|
|
25 7.0585408E-06 26 -4.0197945E-06 27 -1.3310853E-06 28 8.6567714E-08
|
|
29 -2.7042001E-06 30 -2.6921684E-06 31 -7.0011458E-06 32 -1.3887877E-06
|
|
33 -4.0531495E-06 34 -2.9244490E-08 35 -2.7504522E-06 36 -2.7389267E-06
|
|
37 3.4118892E-05 38 -1.4280721E-05 39 3.0193776E-06 40 -3.3732789E-05
|
|
41 2.7489306E-06 42 -1.4361616E-05 43 -4.1046836E-06 44 4.8381664E-06
|
|
45 1.2005026E-06 46 4.0897405E-06 47 1.3011560E-06 48 4.7375412E-06
|
|
49 3.4031543E-05 50 2.8274668E-06 51 -1.4438627E-05 52 4.4115081E-06
|
|
53 4.9186464E-06 54 1.1232526E-06 55 -3.7804082E-06 56 1.3826432E-06
|
|
57 4.6600505E-06 58 -3.3817135E-05 59 -1.4247187E-05 60 2.8968609E-06
|
|
61 8.3111877E-06 62 -2.6818232E-06 63 -2.6830745E-06 64 7.8351425E-08
|
|
65 -1.6496769E-06 66 -1.6508966E-06 67 -8.0402615E-06 68 -2.7347412E-06
|
|
69 -2.7360498E-06 70 -3.8870482E-08 71 -3.3996888E-06 72 -3.4010381E-06
|
|
73 3.8932852E-06 74 -6.8736506E-06 75 -3.5378470E-06 76 -3.9158140E-06
|
|
77 -3.5705507E-06 78 -6.9865500E-06 79 -2.1638291E-06 80 5.8190827E-07
|
|
81 -2.0583427E-06 82 2.1511554E-06 83 -2.0798129E-06 84 5.3694912E-07
|
|
85 -1.5956115E-10 86 -3.1491004E-05 87 -3.1410398E-05 88 -2.3679210E-10
|
|
89 2.1320502E-05 90 -3.8895464E-06 91 -1.9296568E-10 92 2.6233236E-06
|
|
93 2.3529758E-06 94 -2.2338195E-10 95 -3.6138879E-06 96 2.1305795E-05
|
|
97 7.0667447E-06 98 -1.8481881E-06 99 -4.5407952E-06 100 1.0234474E-07
|
|
101 -3.2192498E-06 102 -3.2381374E-06 103 -6.9925545E-06 104 -4.5930216E-06
|
|
105 -1.9324519E-06 106 -2.8603324E-08 107 -3.2923630E-06 108 -3.3051269E-06
|
|
109 3.8952454E-06 110 -3.9054988E-06 111 -7.2470907E-06 112 -3.9139333E-06
|
|
113 -7.3652847E-06 114 -3.9547961E-06 115 -2.1658669E-06 116 -2.4471551E-06
|
|
117 1.9135243E-07 118 2.1491192E-06 119 1.4270695E-07 120 -2.4758205E-06
|
|
121 -7.6563314E-10 122 -9.1972595E-06 123 -9.1983504E-06 124 -6.8934197E-10
|
|
125 -2.1324957E-06 126 -2.1335714E-06 127 -1.1111676E-09 128 -6.8438406E-07
|
|
129 -6.8551908E-07 130 -1.5567330E-09 131 -2.1756185E-06 132 -2.1768602E-06
|
|
133 3.9574521E-06 134 -4.1898722E-06 135 -7.6420577E-06 136 2.2131039E-06
|
|
137 -4.9076770E-08 138 -2.7319425E-06 139 -2.1020241E-06 140 -2.7195358E-06
|
|
141 -1.4634843E-07 142 -3.8507880E-06 143 -7.6505417E-06 144 -4.3523561E-06
|
|
145 3.4186701E-05 146 1.9669933E-06 147 -1.5368338E-05 148 -3.3664495E-05
|
|
149 -1.5450364E-05 150 1.6246552E-06 151 -4.1120281E-06 152 7.0284784E-08
|
|
153 3.7143077E-06 154 4.0827253E-06 155 3.6057752E-06 156 1.7601439E-07
|
|
157 1.2374799E-09 158 -3.2329254E-05 159 -3.2413154E-05 160 1.1816783E-09
|
|
161 -4.8778771E-06 162 2.0369938E-05 163 1.1876863E-09 164 1.3486785E-06
|
|
165 1.6995160E-06 166 1.3118132E-09 167 2.0328219E-05 168 -4.5521983E-06
|
|
169 3.9637983E-06 170 -8.1502870E-06 171 -4.6971539E-06 172 2.2256584E-06
|
|
173 -3.2579344E-06 174 -5.6786561E-07 175 -2.0897171E-06 176 -6.8348368E-07
|
|
177 -3.2500190E-06 178 -3.8441606E-06 179 -4.9017692E-06 180 -8.1987118E-06
|
|
181 8.1412577E-06 182 -4.2295215E-06 183 -4.2295342E-06 184 1.6412331E-07
|
|
185 -4.9336795E-06 186 -4.9336891E-06 187 -8.2113409E-06 188 -4.3562381E-06
|
|
189 -4.3562606E-06 190 -2.2035801E-09 191 -3.3632791E-06 192 -3.3632245E-06
|
|
193 -4.5305008E-07 194 3.2426057E-05 195 3.2426033E-05 196 -1.8317488E-05
|
|
197 -1.2849016E-05 198 -1.2849038E-05 199 -2.8219630E-07 200 -1.0436483E-05
|
|
201 -1.0436461E-05 202 1.8035683E-05 203 -1.3323627E-05 204 -1.3323645E-05
|
|
205 -4.1877791E-06 206 -2.8247948E-06 207 -4.0955400E-06 208 -4.0460591E-06
|
|
209 -4.6327647E-06 210 -6.9175907E-06 211 3.8406695E-06 212 -6.9962385E-06
|
|
213 -4.8166149E-06 214 4.1304702E-06 215 -4.3516805E-06 216 -3.1537133E-06
|
|
217 -9.0035488E-06 218 -3.2047613E-06 219 -1.3395076E-05 220 -2.1251193E-07
|
|
221 4.4714856E-06 222 4.2139894E-06 223 8.8355334E-06 224 -1.3358640E-05
|
|
225 -3.3134885E-06 226 -1.9026056E-08 227 -8.5537620E-06 228 -8.5486510E-06
|
|
229 -1.1374114E-08 230 3.1616440E-05 231 1.1070181E-04 232 -5.3937901E-09
|
|
233 1.1566826E-04 234 3.3667228E-05 235 -1.1638654E-08 236 -1.5050543E-05
|
|
237 -1.0975560E-05 238 -5.0834478E-09 239 -1.1247085E-05 240 -1.5372821E-05
|
|
241 -4.1983413E-06 242 -2.4319011E-06 243 -1.2518124E-06 244 -4.0748957E-06
|
|
245 -5.2419626E-06 246 -3.0425984E-06 247 3.8105189E-06 248 -3.1311829E-06
|
|
249 -5.3975008E-06 250 4.1189307E-06 251 -1.4492162E-06 252 -2.7439522E-06
|
|
253 -2.8838880E-06 254 -3.6850645E-06 255 -3.7854297E-06 256 -1.0110608E-07
|
|
257 -1.5576998E-06 258 -1.6606688E-06 259 2.8290019E-06 260 -3.8101217E-06
|
|
261 -3.9155651E-06 262 -7.5070911E-09 263 -4.6751859E-06 264 -4.7832402E-06
|
|
265 -1.1965535E-08 266 5.9995300E-06 267 -7.9168130E-06 268 -6.0698270E-09
|
|
269 -7.6588118E-06 270 5.7050124E-06 271 -1.3203411E-08 272 -8.0767254E-06
|
|
273 -4.9555731E-06 274 -6.4369839E-09 275 -5.0658400E-06 276 -8.3248994E-06
|
|
277 3.2437972E-08 278 5.5785873E-06 279 5.3859704E-06 280 -9.0650340E-06
|
|
281 -1.2299442E-05 282 -2.1386354E-06 283 -2.6427387E-07 284 -7.5459993E-06
|
|
285 -7.3670364E-06 286 8.7704192E-06 287 -2.6623701E-06 288 -1.2740796E-05
|
|
289 -9.0690299E-06 290 -1.3000104E-05 291 -2.8795191E-06 292 -3.4489388E-07
|
|
293 4.5580142E-06 294 4.8173605E-06 295 8.7642736E-06 296 -2.9514310E-06
|
|
297 -1.3069918E-05 298 -2.2881434E-08 299 -8.2689647E-06 300 -8.4277667E-06
|
|
301 -1.5893027E-08 302 -9.4393470E-06 303 4.2847638E-06 304 -1.0373532E-08
|
|
305 4.1134163E-06 306 -9.4490613E-06 307 -1.7635372E-08 308 -6.6060014E-06
|
|
309 -1.0034826E-05 310 -1.0848783E-08 311 -1.0131062E-05 312 -7.1906119E-06
|
|
313 1.0914863E-08 314 -4.2893133E-06 315 -4.4757551E-06 316 -2.9520792E-06
|
|
317 -6.7524857E-06 318 -6.9471140E-06 319 -1.5034996E-07 320 -7.8103730E-06
|
|
321 -8.0145340E-06 322 2.7569954E-06 323 -7.4461287E-06 324 -7.6593635E-06
|
|
325 -4.0815297E-06 326 -9.6226400E-06 327 -7.5690524E-06 328 -4.5155018E-06
|
|
329 -7.3249523E-06 330 -6.1980176E-06 331 3.7744547E-06 332 -6.4427978E-06
|
|
333 -7.7938132E-06 334 3.7983619E-06 335 -8.6323280E-06 336 -1.1079001E-05
|
|
337 -2.9867032E-08 338 1.0947172E-04 339 2.8292802E-05 340 -2.5054125E-08
|
|
341 3.5830655E-05 342 1.1574936E-04 343 -3.3815783E-08 344 -8.0730349E-06
|
|
345 -1.2355923E-05 346 -2.9581834E-08 347 -1.3016741E-05 348 -9.1083632E-06
|
|
349 8.2660115E-09 350 8.6876461E-06 351 8.7519923E-06 352 -9.3961947E-06
|
|
353 1.5771630E-06 354 -9.0607919E-06 355 -9.6751132E-07 356 -3.6199176E-06
|
|
357 -4.6983902E-06 358 8.3633028E-06 359 -9.4227920E-06 360 8.9338251E-08
|
|
361 -4.2822176E-06 362 -1.7395868E-06 363 -4.1234616E-06 364 -5.1688804E-06
|
|
365 -1.3747839E-07 366 -1.7983516E-06 367 2.9844597E-06 368 -1.4835740E-06
|
|
369 -7.4257048E-07 370 3.4326468E-06 371 -4.8677533E-06 372 -2.8602751E-06
|
|
373 -2.1123860E-05 374 -1.3924529E-05 375 -1.3924442E-05 376 -7.0397776E-06
|
|
377 3.6019923E-05 378 3.6020150E-05 379 1.2863201E-05 380 -1.8170026E-06
|
|
381 -1.8161916E-06
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TOTGRA TELAPSE 592.28 TCPU 590.73
|
|
EIGENVECTORS IN FORTRAN UNIT 8
|
|
TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT END TELAPSE 594.67 TCPU 593.10
|
|
EEEEEEEEEE TERMINATION DATE 10 06 2018 TIME 14:40:12.4
|
|
NODE 0 CPU TIME = 593.104
|
|
TOTAL CPU TIME = 28439.708
|
|
------------------------------------------------------
|
|
MPPcrystal finished normally
|
|
------------------------------------------------------
|
|
SCF wavefunction fort.9 saved as /homeappl/home/anttikar/work/test/nacl/MPP/supercell-001.w
|
|
Temporary directory /tmp/anttikar/CRY_10144 removed from node c840
|
|
Temporary directory /tmp/anttikar/CRY_10144 removed from node c839
|
|
Date: 2018-06-10 14:40:13 |