mirror of https://github.com/abinit/abinit.git
3050 lines
182 KiB
Plaintext
3050 lines
182 KiB
Plaintext
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**** DERIVATIVE DATABASE ****
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+DDB, Version number 100401
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DDB file merged by MergeDdbAbinitTask on Fri Sep 22 05:28:53 2017
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usepaw 0
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natom 12
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nkpt 75
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nsppol 1
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nsym 4
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ntypat 3
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occopt 1
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nband 48
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acell 0.10000000000000D+01 0.10000000000000D+01 0.10000000000000D+01
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amu 0.22989768000000D+02 0.28085500000000D+02 0.15999400000000D+02
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dilatmx 0.10000000000000D+01
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ecut 0.44000000000000D+02
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ecutsm 0.00000000000000D+00
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intxc 0
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iscf 7
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ixc -116133
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kpt 0.10000000000000D+00 0.10000000000000D+00 0.83333333333333D-01
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0.30000000000000D+00 0.10000000000000D+00 0.83333333333333D-01
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0.50000000000000D+00 0.10000000000000D+00 0.83333333333333D-01
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-0.30000000000000D+00 0.10000000000000D+00 0.83333333333333D-01
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-0.10000000000000D+00 0.10000000000000D+00 0.83333333333333D-01
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0.10000000000000D+00 0.30000000000000D+00 0.83333333333333D-01
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0.30000000000000D+00 0.30000000000000D+00 0.83333333333333D-01
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0.50000000000000D+00 0.30000000000000D+00 0.83333333333333D-01
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-0.30000000000000D+00 0.30000000000000D+00 0.83333333333333D-01
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-0.10000000000000D+00 0.30000000000000D+00 0.83333333333333D-01
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0.10000000000000D+00 0.50000000000000D+00 0.83333333333333D-01
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0.30000000000000D+00 0.50000000000000D+00 0.83333333333333D-01
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0.50000000000000D+00 0.50000000000000D+00 0.83333333333333D-01
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-0.30000000000000D+00 0.50000000000000D+00 0.83333333333333D-01
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-0.10000000000000D+00 0.50000000000000D+00 0.83333333333333D-01
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0.10000000000000D+00 -0.30000000000000D+00 0.83333333333333D-01
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0.30000000000000D+00 -0.30000000000000D+00 0.83333333333333D-01
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0.50000000000000D+00 -0.30000000000000D+00 0.83333333333333D-01
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-0.30000000000000D+00 -0.30000000000000D+00 0.83333333333333D-01
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-0.10000000000000D+00 -0.30000000000000D+00 0.83333333333333D-01
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0.10000000000000D+00 -0.10000000000000D+00 0.83333333333333D-01
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0.30000000000000D+00 -0.10000000000000D+00 0.83333333333333D-01
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0.50000000000000D+00 -0.10000000000000D+00 0.83333333333333D-01
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-0.30000000000000D+00 -0.10000000000000D+00 0.83333333333333D-01
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-0.10000000000000D+00 -0.10000000000000D+00 0.83333333333333D-01
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0.10000000000000D+00 0.10000000000000D+00 0.25000000000000D+00
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0.30000000000000D+00 0.10000000000000D+00 0.25000000000000D+00
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0.50000000000000D+00 0.10000000000000D+00 0.25000000000000D+00
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-0.30000000000000D+00 0.10000000000000D+00 0.25000000000000D+00
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-0.10000000000000D+00 0.10000000000000D+00 0.25000000000000D+00
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0.10000000000000D+00 0.30000000000000D+00 0.25000000000000D+00
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0.30000000000000D+00 0.30000000000000D+00 0.25000000000000D+00
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0.50000000000000D+00 0.30000000000000D+00 0.25000000000000D+00
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-0.30000000000000D+00 0.30000000000000D+00 0.25000000000000D+00
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-0.10000000000000D+00 0.30000000000000D+00 0.25000000000000D+00
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0.10000000000000D+00 0.50000000000000D+00 0.25000000000000D+00
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0.30000000000000D+00 0.50000000000000D+00 0.25000000000000D+00
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0.50000000000000D+00 0.50000000000000D+00 0.25000000000000D+00
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-0.30000000000000D+00 0.50000000000000D+00 0.25000000000000D+00
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-0.10000000000000D+00 0.50000000000000D+00 0.25000000000000D+00
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0.10000000000000D+00 -0.30000000000000D+00 0.25000000000000D+00
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0.30000000000000D+00 -0.30000000000000D+00 0.25000000000000D+00
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0.50000000000000D+00 -0.30000000000000D+00 0.25000000000000D+00
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-0.30000000000000D+00 -0.30000000000000D+00 0.25000000000000D+00
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-0.10000000000000D+00 -0.30000000000000D+00 0.25000000000000D+00
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0.10000000000000D+00 -0.10000000000000D+00 0.25000000000000D+00
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0.30000000000000D+00 -0.10000000000000D+00 0.25000000000000D+00
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0.50000000000000D+00 -0.10000000000000D+00 0.25000000000000D+00
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-0.30000000000000D+00 -0.10000000000000D+00 0.25000000000000D+00
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-0.10000000000000D+00 -0.10000000000000D+00 0.25000000000000D+00
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0.10000000000000D+00 0.10000000000000D+00 0.41666666666667D+00
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0.30000000000000D+00 0.10000000000000D+00 0.41666666666667D+00
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0.50000000000000D+00 0.10000000000000D+00 0.41666666666667D+00
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-0.30000000000000D+00 0.10000000000000D+00 0.41666666666667D+00
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-0.10000000000000D+00 0.10000000000000D+00 0.41666666666667D+00
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0.10000000000000D+00 0.30000000000000D+00 0.41666666666667D+00
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0.30000000000000D+00 0.30000000000000D+00 0.41666666666667D+00
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0.50000000000000D+00 0.30000000000000D+00 0.41666666666667D+00
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-0.30000000000000D+00 0.30000000000000D+00 0.41666666666667D+00
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-0.10000000000000D+00 0.30000000000000D+00 0.41666666666667D+00
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0.10000000000000D+00 0.50000000000000D+00 0.41666666666667D+00
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0.30000000000000D+00 0.50000000000000D+00 0.41666666666667D+00
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0.50000000000000D+00 0.50000000000000D+00 0.41666666666667D+00
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-0.30000000000000D+00 0.50000000000000D+00 0.41666666666667D+00
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-0.10000000000000D+00 0.50000000000000D+00 0.41666666666667D+00
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0.10000000000000D+00 -0.30000000000000D+00 0.41666666666667D+00
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0.30000000000000D+00 -0.30000000000000D+00 0.41666666666667D+00
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0.50000000000000D+00 -0.30000000000000D+00 0.41666666666667D+00
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-0.30000000000000D+00 -0.30000000000000D+00 0.41666666666667D+00
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-0.10000000000000D+00 -0.30000000000000D+00 0.41666666666667D+00
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0.10000000000000D+00 -0.10000000000000D+00 0.41666666666667D+00
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0.30000000000000D+00 -0.10000000000000D+00 0.41666666666667D+00
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0.50000000000000D+00 -0.10000000000000D+00 0.41666666666667D+00
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-0.30000000000000D+00 -0.10000000000000D+00 0.41666666666667D+00
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-0.10000000000000D+00 -0.10000000000000D+00 0.41666666666667D+00
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kptnrm 0.10000000000000D+01
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ngfft 72 72 60
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nspden 1
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nspinor 1
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occ 0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.20000000000000D+01 0.20000000000000D+01
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0.20000000000000D+01 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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rprim 0.57516427129000D+01 -0.99524878418000D+01 0.00000000000000D+00
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0.57516427129000D+01 0.99524878418000D+01 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.90914483340000D+01
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dfpt_sciss 0.00000000000000D+00
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spinat 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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symafm 1 1 1 1
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symrel 1 0 0 0 1 0 0 0 1
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0 1 0 1 0 0 0 0 1
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-1 0 0 0 -1 0 0 0 1
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0 -1 0 -1 0 0 0 0 1
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tnons 0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.00000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.50000000000000D+00
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0.00000000000000D+00 0.00000000000000D+00 0.50000000000000D+00
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tolwfr 0.10000000000000D+01
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tphysel 0.00000000000000D+00
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tsmear 0.10000000000000D-01
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typat 1 1 1 1 2 2 3 3 3 3 3 3
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wtk 0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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0.13333333333333D-01 0.13333333333333D-01 0.13333333333333D-01
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xred 0.50369913820000D+00 0.17317981990000D+00 0.49801692300000D+00
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0.17317981990000D+00 0.50369913820000D+00 0.49801692300000D+00
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0.49630086180000D+00 0.82682018010000D+00 0.99801692300000D+00
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0.82682018010000D+00 0.49630086180000D+00 0.99801692300000D+00
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0.84174923460000D+00 0.84174923460000D+00 0.46111347830000D+00
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0.15825076540000D+00 0.15825076540000D+00 0.96111347830000D+00
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0.85958681900000D-01 0.85958681900000D-01 0.62231031520000D+00
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0.91404131810000D+00 0.91404131810000D+00 0.12231031520000D+00
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0.58118706220000D+00 0.84148081630000D+00 0.51697118540000D+00
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0.41881293780000D+00 0.15851918370000D+00 0.16971185400000D-01
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0.84148081630000D+00 0.58118706220000D+00 0.51697118540000D+00
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0.15851918370000D+00 0.41881293780000D+00 0.16971185400000D-01
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znucl 0.11000000000000D+02 0.14000000000000D+02 0.80000000000000D+01
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zion 0.90000000000000D+01 0.40000000000000D+01 0.60000000000000D+01
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Description of the potentials (KB energies)
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vrsio8 (for pseudopotentials)=100401
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usepaw = 0
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dimekb = 6 lmnmax= 6
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Atom type= 1 pspso= 0 nekb= 4
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iln lpsang iproj ekb(:)
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1 0 1 2.4960651E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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2 0 2 0.0000000E+00 -6.7877683E-01 0.0000000E+00 0.0000000E+00
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3 1 1 0.0000000E+00 0.0000000E+00 -6.8091424E+00 0.0000000E+00
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4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 -2.4509004E+00
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Atom type= 2 pspso= 0 nekb= 6
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iln lpsang iproj ekb(:)
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1 0 1 5.4423804E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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2 0 2 0.0000000E+00 8.5033367E-01 0.0000000E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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3 1 1 0.0000000E+00 0.0000000E+00 2.7848044E+00 0.0000000E+00
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0.0000000E+00 0.0000000E+00
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4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 6.0758669E-01
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0.0000000E+00 0.0000000E+00
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5 2 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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-3.8364265E+00 0.0000000E+00
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6 2 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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-3.8364265E+00 0.0000000E+00
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Atom type= 3 pspso= 0 nekb= 5
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iln lpsang iproj ekb(:)
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1 0 1 5.2465880E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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0.0000000E+00
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2 0 2 0.0000000E+00 7.0106128E-01 0.0000000E+00 0.0000000E+00
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0.0000000E+00
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3 1 1 0.0000000E+00 0.0000000E+00 -5.1568333E+00 0.0000000E+00
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0.0000000E+00
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4 1 2 0.0000000E+00 0.0000000E+00 0.0000000E+00 -1.4580712E+00
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0.0000000E+00
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5 2 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00
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-4.3698871E+00
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**** Database of total energy derivatives ****
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Number of data blocks= 1
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2nd derivatives (non-stat.) - # elements : 1521
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qpt 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
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1 1 1 1 0.49690370826393D+01 0.00000000000000D+00
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2 1 1 1 -0.26821169511168D+01 0.00000000000000D+00
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3 1 1 1 -0.21256988117361D+00 0.00000000000000D+00
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1 2 1 1 -0.63669551402302D+00 -0.11190501116877D-14
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2 2 1 1 0.31575215401575D+00 -0.10534301643495D-14
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3 2 1 1 0.27864967701251D-03 0.55173038127406D-15
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|
1 3 1 1 0.10634252222406D+00 -0.52304605240001D-14
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2 3 1 1 0.28075061528565D+00 0.89035519594430D-15
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|
3 3 1 1 0.46809559997349D-02 0.58305318779565D-15
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1 4 1 1 0.11522484828231D+00 0.70006460860075D-15
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2 4 1 1 -0.45111422318313D+00 -0.52122646165377D-15
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3 4 1 1 0.55868127898177D-02 0.61667261642087D-15
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1 5 1 1 -0.16143445802578D+01 -0.22081166273842D-15
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2 5 1 1 0.26138467981649D+00 0.46708317715610D-15
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3 5 1 1 -0.10651541572364D+00 -0.17513865300499D-15
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1 6 1 1 -0.12624897402794D+01 -0.73648848724144D-15
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2 6 1 1 0.66285034451439D+00 -0.25572638957658D-15
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|
3 6 1 1 0.61401559526270D+00 0.92305918588045D-15
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|
1 7 1 1 -0.36218346465219D+00 -0.18765857285164D-15
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2 7 1 1 0.33406162955234D+00 -0.94293544319342D-15
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3 7 1 1 0.16213086932369D+00 0.20357653163862D-14
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|
1 8 1 1 0.44780925415337D+00 -0.20513608414280D-14
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|
2 8 1 1 0.25021765733573D-01 0.82828357229782D-15
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|
3 8 1 1 -0.14741923189222D+00 -0.63836209943680D-16
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1 9 1 1 -0.88067938747331D+00 -0.19481057861361D-15
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2 9 1 1 0.11099801808959D+01 -0.28695625629179D-15
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3 9 1 1 -0.15124491826840D-01 0.58555863080093D-15
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1 10 1 1 -0.91852529448401D+00 0.84838539061802D-15
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2 10 1 1 0.45937115548268D+00 0.33374003663129D-15
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3 10 1 1 -0.26235445367954D+00 0.59576152094466D-15
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1 11 1 1 -0.33615834267615D+00 -0.17650274552747D-14
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2 11 1 1 -0.49381106159316D-01 -0.34919998747443D-15
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3 11 1 1 0.94939534197898D-02 0.31754294346630D-15
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|
1 12 1 1 0.45955038384879D+00 0.71479189317393D-15
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2 12 1 1 -0.37662111951798D+00 -0.10302656363165D-14
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3 12 1 1 -0.49332447047605D-01 -0.83957626729764D-16
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1 14 1 1 -0.49699681224661D+02 0.00000000000000D+00
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2 14 1 1 0.27005843152659D+00 0.00000000000000D+00
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3 14 1 1 -0.15516769052489D+00 0.00000000000000D+00
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|
1 1 2 1 -0.26821169511168D+01 0.00000000000000D+00
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2 1 2 1 0.50878514271426D+01 0.00000000000000D+00
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3 1 2 1 0.17323323343878D+00 0.00000000000000D+00
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|
1 2 2 1 0.34873937778908D+00 -0.10534301643495D-14
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2 12 2 14 -0.50711568537430D+02 0.00000000000000D+00
|
|
3 12 2 14 -0.65128389128638D+00 0.00000000000000D+00
|
|
1 14 2 14 -0.24080800484615D+02 0.00000000000000D+00
|
|
2 14 2 14 -0.47603919289579D+02 0.00000000000000D+00
|
|
3 14 2 14 -0.19150142777612D-05 0.00000000000000D+00
|
|
1 1 3 14 -0.15516769052489D+00 0.00000000000000D+00
|
|
2 1 3 14 0.34931130045321D-01 0.00000000000000D+00
|
|
3 1 3 14 -0.50005938993243D+02 0.00000000000000D+00
|
|
1 2 3 14 0.34936648070412D-01 0.00000000000000D+00
|
|
2 2 3 14 -0.15516554635318D+00 0.00000000000000D+00
|
|
3 2 3 14 -0.50005959741302D+02 0.00000000000000D+00
|
|
1 3 3 14 0.15516792582958D+00 0.00000000000000D+00
|
|
2 3 3 14 -0.34929640814907D-01 0.00000000000000D+00
|
|
3 3 3 14 -0.50005939721357D+02 0.00000000000000D+00
|
|
1 4 3 14 -0.34939292759145D-01 0.00000000000000D+00
|
|
2 4 3 14 0.15516768672618D+00 0.00000000000000D+00
|
|
3 4 3 14 -0.50005959446002D+02 0.00000000000000D+00
|
|
1 5 3 14 0.66504958887761D+00 0.00000000000000D+00
|
|
2 5 3 14 0.66503896456372D+00 0.00000000000000D+00
|
|
3 5 3 14 -0.62694385988050D+01 0.00000000000000D+00
|
|
1 6 3 14 -0.66504826240900D+00 0.00000000000000D+00
|
|
2 6 3 14 -0.66503694130691D+00 0.00000000000000D+00
|
|
3 6 3 14 -0.62694387578089D+01 0.00000000000000D+00
|
|
1 7 3 14 -0.30326346751924D+01 0.00000000000000D+00
|
|
2 7 3 14 -0.30326974740347D+01 0.00000000000000D+00
|
|
3 7 3 14 -0.52339278557275D+02 0.00000000000000D+00
|
|
1 8 3 14 0.30326445135914D+01 0.00000000000000D+00
|
|
2 8 3 14 0.30327048158893D+01 0.00000000000000D+00
|
|
3 8 3 14 -0.52339308962376D+02 0.00000000000000D+00
|
|
1 9 3 14 0.74407630086666D+00 0.00000000000000D+00
|
|
2 9 3 14 -0.55249904384733D+00 0.00000000000000D+00
|
|
3 9 3 14 -0.46352163238222D+02 0.00000000000000D+00
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|
1 10 3 14 -0.74407414616448D+00 0.00000000000000D+00
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|
2 10 3 14 0.55249369782172D+00 0.00000000000000D+00
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|
3 10 3 14 -0.46352161923622D+02 0.00000000000000D+00
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|
1 11 3 14 -0.55254222380837D+00 0.00000000000000D+00
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|
2 11 3 14 0.74417520909622D+00 0.00000000000000D+00
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|
3 11 3 14 -0.46352197435373D+02 0.00000000000000D+00
|
|
1 12 3 14 0.55254052266636D+00 0.00000000000000D+00
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|
2 12 3 14 -0.74417466936407D+00 0.00000000000000D+00
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|
3 12 3 14 -0.46352193887501D+02 0.00000000000000D+00
|
|
1 14 3 14 -0.19150142777612D-05 0.00000000000000D+00
|
|
2 14 3 14 -0.19150142777612D-05 0.00000000000000D+00
|
|
3 14 3 14 -0.58568542796366D+02 0.00000000000000D+00
|
|
|
|
2nd derivatives (non-stat.) - # elements : 1296
|
|
qpt 2.00000000E-01 2.00000000E-01 0.00000000E+00 1.0
|
|
1 1 1 1 0.52368866866673D+01 0.24138449394447D-18
|
|
2 1 1 1 -0.26179290492273D+01 0.61644407191121D-01
|
|
3 1 1 1 -0.21581133354990D+00 -0.39916996743664D-02
|
|
1 2 1 1 -0.39104100093655D+00 0.57253065601996D+00
|
|
2 2 1 1 0.59206316502019D+00 -0.27544150595440D-06
|
|
3 2 1 1 -0.22899187146399D-02 0.16922330639666D-02
|
|
1 3 1 1 0.23051682710668D+00 0.29635404094520D+00
|
|
2 3 1 1 0.20878669206861D+00 0.26736875073495D+00
|
|
3 3 1 1 -0.18375895122446D-02 0.60337111061454D-02
|
|
1 4 1 1 0.25553057775591D+00 -0.68715828056222D-01
|
|
2 4 1 1 -0.27357946045505D+00 0.17620320888356D+00
|
|
3 4 1 1 -0.41414934709053D-03 0.51855334126688D-02
|
|
1 5 1 1 0.94189869087957D+00 -0.12636000960729D+01
|
|
2 5 1 1 0.26104869327311D+00 0.99273956329090D+00
|
|
3 5 1 1 0.17813146614446D+00 -0.10767287538974D+00
|
|
1 6 1 1 -0.60167759107963D+00 0.32290832829013D+00
|
|
2 6 1 1 0.79066250763451D+00 -0.23859827914488D+00
|
|
3 6 1 1 0.75243553517989D+00 0.84162710140469D-01
|
|
1 7 1 1 -0.69962496315543D+00 -0.20218535050211D+00
|
|
2 7 1 1 0.14807934860939D+00 0.21099849680311D+00
|
|
3 7 1 1 0.52734974931923D-03 -0.33423270419393D-01
|
|
1 8 1 1 -0.13391480426590D+00 0.22985520281959D+00
|
|
2 8 1 1 0.37312168581414D-01 -0.27818702996612D+00
|
|
3 8 1 1 -0.40029977103011D-01 0.71420003891542D-02
|
|
1 9 1 1 -0.92589401541844D+00 -0.10354407697824D+01
|
|
2 9 1 1 0.33573328746373D+00 0.98557640846096D+00
|
|
3 9 1 1 -0.20632217336174D-01 -0.41009398900984D-02
|
|
1 10 1 1 -0.13891451941580D+01 -0.13464418904276D+00
|
|
2 10 1 1 0.45444750999579D+00 0.54522735111382D-01
|
|
3 10 1 1 -0.29958184006230D+00 -0.22647998655517D-01
|
|
1 11 1 1 -0.72670704809338D+00 0.27326373523690D+00
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|
2 11 1 1 -0.49576159004579D+00 -0.34709825007894D+00
|
|
3 11 1 1 -0.16813080994796D-01 0.31539238656908D-01
|
|
1 12 1 1 0.21528612705185D+00 -0.37761489728125D+00
|
|
2 12 1 1 -0.60901360350068D+00 0.73198776723582D-01
|
|
3 12 1 1 -0.65134598441980D-01 0.12337324623391D-01
|
|
1 1 2 1 -0.26179290492273D+01 -0.61644407191121D-01
|
|
2 1 2 1 0.53083423674652D+01 -0.71642781128857D-19
|
|
3 1 2 1 0.17222128139231D+00 0.30756810504243D-02
|
|
1 2 2 1 0.54318348898130D+00 0.32203017256624D-06
|
|
2 2 2 1 -0.39104100093654D+00 -0.57253065602001D+00
|
|
3 2 2 1 -0.95622658055859D-02 0.15845529247890D-02
|
|
1 3 2 1 0.20878669206861D+00 0.26736875073495D+00
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|
2 3 2 1 -0.25090215092360D+00 -0.43535543127985D+00
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|
3 3 2 1 -0.31932151116598D-02 -0.29358017857171D-02
|
|
1 4 2 1 -0.29257010571366D+00 0.91903890827908D-01
|
|
2 4 2 1 0.25553057775604D+00 -0.68715828056215D-01
|
|
3 4 2 1 0.36886879095166D-02 0.31212194421560D-02
|
|
1 5 2 1 0.50841292335906D+00 0.14926752777050D+01
|
|
2 5 2 1 -0.15235650061450D+01 -0.46701911094008D+00
|
|
3 5 2 1 -0.31031911009599D-01 -0.56883282257661D-01
|
|
1 6 2 1 0.71713358575764D+00 -0.26217594480925D+00
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|
2 6 2 1 0.65039438266938D+00 -0.48851555285969D+00
|
|
3 6 2 1 -0.20559744778644D+00 -0.96121863890720D-01
|
|
1 7 2 1 0.86909809991695D-02 0.43667447504391D+00
|
|
2 7 2 1 -0.70264805337909D+00 0.71765397667283D-01
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|
3 7 2 1 -0.21853105217784D+00 0.14566593926207D+00
|
|
1 8 2 1 -0.70657624498130D-01 -0.54327007286667D+00
|
|
2 8 2 1 0.31849941069546D+00 -0.17048117806290D+00
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|
3 8 2 1 -0.99830802983065D-01 0.26227641795352D+00
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|
1 9 2 1 0.12468040444509D+00 0.84065623053027D+00
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|
2 9 2 1 -0.13696574034635D+00 -0.18092018393594D+01
|
|
3 9 2 1 0.25645685638080D-01 0.41006586498355D-01
|
|
1 10 2 1 0.34051168259128D+00 0.15660831402045D+00
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|
2 10 2 1 -0.11597838021545D+01 0.46076767589967D-01
|
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3 10 2 1 0.86327464130711D-01 0.28249686329866D-01
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|
1 11 2 1 -0.46822966304583D+00 -0.29598846767285D+00
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2 11 2 1 -0.77135410432017D+00 0.20971766513827D+00
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3 11 2 1 -0.56620763970434D-02 0.78269525911517D-03
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|
1 12 2 1 -0.23437579511491D+00 -0.86007300568198D-02
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|
2 12 2 1 -0.14715823161606D+00 0.47140960640318D+00
|
|
3 12 2 1 -0.41391522307960D-01 0.20340999165758D-01
|
|
1 1 3 1 -0.21581133354990D+00 0.39916996743664D-02
|
|
2 1 3 1 0.17222128139231D+00 -0.30756810504243D-02
|
|
3 1 3 1 0.28373926763234D+01 0.00000000000000D+00
|
|
1 2 3 1 -0.95622658055826D-02 -0.15845529247905D-02
|
|
2 2 3 1 -0.22899187146432D-02 -0.16922330639680D-02
|
|
3 2 3 1 0.66900282002599D-01 0.74758728508568D-07
|
|
1 3 3 1 0.18375895122507D-02 -0.60337111061025D-02
|
|
2 3 3 1 0.31932151116223D-02 0.29358017856099D-02
|
|
3 3 3 1 -0.16392914381744D+00 -0.47253531613892D+00
|
|
1 4 3 1 -0.36886879094738D-02 -0.31212194421512D-02
|
|
2 4 3 1 0.41414934713334D-03 -0.51855334126640D-02
|
|
3 4 3 1 -0.59651310147795D+00 -0.67288969961883D-02
|
|
1 5 3 1 0.33719753251448D-01 0.52860400546965D-02
|
|
2 5 3 1 -0.35349574125820D-01 0.52225063333455D-02
|
|
3 5 3 1 -0.82321563042537D-01 0.11988232942669D+00
|
|
1 6 3 1 0.40912428953252D+00 0.65114427354943D-02
|
|
2 6 3 1 -0.19062354437066D+00 -0.69364400901507D-02
|
|
3 6 3 1 -0.89419992261925D+00 0.37391267463609D-01
|
|
1 7 3 1 0.13249086581824D+00 -0.19356694120926D-01
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|
2 7 3 1 -0.69157286737791D-01 0.24497821822576D-01
|
|
3 7 3 1 -0.14159811783851D+00 0.17191968873491D-02
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|
1 8 3 1 -0.51252417552922D-01 0.12251349644067D-01
|
|
2 8 3 1 0.41402163287299D-01 0.13587201651281D-01
|
|
3 8 3 1 -0.21237887232019D-01 -0.30587687060155D-02
|
|
1 9 3 1 0.97391342132673D-02 -0.62525402002969D-01
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|
2 9 3 1 0.26835088296423D-01 0.58308513007137D-01
|
|
3 9 3 1 -0.76752827234191D-01 -0.21476361925036D+00
|
|
1 10 3 1 -0.25326519099352D+00 0.30225814916799D-02
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|
2 10 3 1 0.98278809887713D-01 0.11863892903249D-02
|
|
3 10 3 1 -0.43388421564157D+00 -0.14807105553524D-02
|
|
1 11 3 1 -0.20244568045427D-01 0.54120544587502D-02
|
|
2 11 3 1 -0.26523809018205D-01 -0.10592126028053D-01
|
|
3 11 3 1 -0.17811912815078D+00 -0.13582325560418D-01
|
|
1 12 3 1 0.24452068220389D-01 0.11355830573585D-01
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|
2 12 3 1 -0.56843209023427D-02 -0.83059711201922D-03
|
|
3 12 3 1 0.94353289833613D-01 -0.44200508132917D-01
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|
1 1 1 2 -0.39104100093655D+00 -0.57253065601996D+00
|
|
2 1 1 2 0.54318348898130D+00 -0.32203017256624D-06
|
|
3 1 1 2 -0.95622658055826D-02 0.15845529247905D-02
|
|
1 2 1 2 0.53083423674616D+01 0.24138449394447D-18
|
|
2 2 1 2 -0.26179290492273D+01 -0.61644407191121D-01
|
|
3 2 1 2 0.17222128139229D+00 0.30756810504243D-02
|
|
1 3 1 2 0.25553057775603D+00 -0.68715828056204D-01
|
|
2 3 1 2 -0.29257010571366D+00 0.91903890827911D-01
|
|
3 3 1 2 0.36886879095180D-02 0.31212194421602D-02
|
|
1 4 1 2 -0.25090215092356D+00 -0.43535543127983D+00
|
|
2 4 1 2 0.20878669206860D+00 0.26736875073495D+00
|
|
3 4 1 2 -0.31932151116389D-02 -0.29358017857183D-02
|
|
1 5 1 2 -0.15235650061451D+01 -0.46701911094008D+00
|
|
2 5 1 2 0.50841292335905D+00 0.14926752777050D+01
|
|
3 5 1 2 -0.31031911009600D-01 -0.56883282257662D-01
|
|
1 6 1 2 0.65039438266938D+00 -0.48851555285969D+00
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|
2 6 1 2 0.71713358575764D+00 -0.26217594480925D+00
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|
3 6 1 2 -0.20559744778644D+00 -0.96121863890722D-01
|
|
1 7 1 2 -0.70264805337912D+00 0.71765397667283D-01
|
|
2 7 1 2 0.86909809991838D-02 0.43667447504392D+00
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|
3 7 1 2 -0.21853105217784D+00 0.14566593926207D+00
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|
1 8 1 2 0.31849941069549D+00 -0.17048117806290D+00
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|
2 8 1 2 -0.70657624498136D-01 -0.54327007286667D+00
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|
3 8 1 2 -0.99830802983068D-01 0.26227641795352D+00
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|
1 9 1 2 -0.77135410432018D+00 0.20971766513829D+00
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|
2 9 1 2 -0.46822966304585D+00 -0.29598846767285D+00
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3 9 1 2 -0.56620763970425D-02 0.78269525911448D-03
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|
1 10 1 2 -0.14715823161606D+00 0.47140960640321D+00
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2 10 1 2 -0.23437579511494D+00 -0.86007300568292D-02
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|
3 10 1 2 -0.41391522307960D-01 0.20340999165759D-01
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|
1 11 1 2 -0.13696574034634D+00 -0.18092018393595D+01
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|
2 11 1 2 0.12468040444512D+00 0.84065623053036D+00
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|
3 11 1 2 0.25645685638086D-01 0.41006586498360D-01
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|
1 12 1 2 -0.11597838021545D+01 0.46076767589967D-01
|
|
2 12 1 2 0.34051168259130D+00 0.15660831402045D+00
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|
3 12 1 2 0.86327464130708D-01 0.28249686329866D-01
|
|
1 1 2 2 0.59206316502019D+00 0.27544150595440D-06
|
|
2 1 2 2 -0.39104100093654D+00 0.57253065602001D+00
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|
3 1 2 2 -0.22899187146432D-02 0.16922330639680D-02
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|
1 2 2 2 -0.26179290492273D+01 0.61644407191121D-01
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2 2 2 2 0.52368866866673D+01 -0.71642781128857D-19
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|
3 2 2 2 -0.21581133354989D+00 -0.39916996743664D-02
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|
1 3 2 2 -0.27357946045505D+00 0.17620320888357D+00
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2 3 2 2 0.25553057775590D+00 -0.68715828056243D-01
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3 3 2 2 -0.41414934708970D-03 0.51855334126685D-02
|
|
1 4 2 2 0.20878669206860D+00 0.26736875073495D+00
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2 4 2 2 0.23051682710669D+00 0.29635404094518D+00
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3 4 2 2 -0.18375895122480D-02 0.60337111061472D-02
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2 5 2 2 0.94189869087958D+00 -0.12636000960729D+01
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|
3 5 2 2 0.17813146614446D+00 -0.10767287538975D+00
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3 6 2 2 0.75243553517989D+00 0.84162710140463D-01
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3 8 2 2 -0.40029977103019D-01 0.71420003891566D-02
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1 9 2 2 -0.49576159004580D+00 -0.34709825007894D+00
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3 9 2 2 -0.16813080994796D-01 0.31539238656911D-01
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|
1 10 2 2 -0.60901360350070D+00 0.73198776723572D-01
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1 11 2 2 0.33573328746376D+00 0.98557640846104D+00
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2 11 2 2 -0.92589401541846D+00 -0.10354407697825D+01
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3 11 2 2 -0.20632217336176D-01 -0.41009398901020D-02
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|
1 12 2 2 0.45444750999582D+00 0.54522735111376D-01
|
|
2 12 2 2 -0.13891451941580D+01 -0.13464418904273D+00
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|
3 12 2 2 -0.29958184006230D+00 -0.22647998655517D-01
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|
1 1 3 2 -0.22899187146399D-02 -0.16922330639666D-02
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|
2 1 3 2 -0.95622658055859D-02 -0.15845529247890D-02
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|
3 1 3 2 0.66900282002599D-01 -0.74758728508568D-07
|
|
1 2 3 2 0.17222128139229D+00 -0.30756810504243D-02
|
|
2 2 3 2 -0.21581133354989D+00 0.39916996743664D-02
|
|
3 2 3 2 0.28373926763234D+01 0.00000000000000D+00
|
|
1 3 3 2 0.41414934713476D-03 -0.51855334126598D-02
|
|
2 3 3 2 -0.36886879094729D-02 -0.31212194421515D-02
|
|
3 3 3 2 -0.59651310147795D+00 -0.67288969961887D-02
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|
1 4 3 2 0.31932151116433D-02 0.29358017856086D-02
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2 4 3 2 0.18375895122473D-02 -0.60337111061008D-02
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3 4 3 2 -0.16392914381746D+00 -0.47253531613890D+00
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1 5 3 2 -0.35349574125820D-01 0.52225063333444D-02
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