mirror of https://github.com/abinit/abinit.git
4693 lines
348 KiB
Plaintext
4693 lines
348 KiB
Plaintext
Zr, exnc+self, no core, rcs=1.75, rcp=1.55, rcd=1.7, ecut 25/34 (Ar+3d10)+4s2 4p
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40.00000 12.00000 971106 zatom,zion,pspdat
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4 3 2 2 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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1 =l
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2 =l
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0 = l
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2.8107910123743267E-56 1.9281220054801635E-56 1.3214997444289155E-56
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2.8821590087079893E-58 1.9565979874780922E-58 1.3271019432440976E-58
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8.9934297577964947E-59 6.0892548320117317E-59 4.1192680453944200E-59
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2.7841486373880768E-59 1.8800984938853135E-59 1.2684809928617327E-59
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8.5507037992462705E-60 5.7588219823235337E-60 3.8750623431057504E-60
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2.6051716205803659E-60 1.7498706310726957E-60 1.1743210857372698E-60
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7.8736923603240467E-61 5.2744847868449090E-61 3.5301325820306253E-61
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7.0196526581456479E-62 4.6769604785579560E-62 3.1132732695496584E-62
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2.0705017325183261E-62 1.3757455356280335E-62 9.1328038424587645E-63
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6.0572150901143580E-63 4.0136920966047801E-63 2.6571535126907186E-63
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1.1460398685075164E-65 7.4890098958270345E-66 4.8892323131130954E-66
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8.7984924585525160E-67 5.7170559149972034E-67 3.7112839165693515E-67
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2.4069264084433495E-67 1.5595082010768477E-67 1.0094807869919941E-67
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5.5245108156603380E-72 3.4969041616097777E-72 2.2112749802769884E-72
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1.3969157076742562E-72 8.8158741453892827E-73 5.5581159062655164E-73
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3.5007101779604911E-73 2.2026746778455177E-73 1.3845527520289822E-73
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8.6942655952574314E-74 5.4540591985194545E-74 3.4179809716960110E-74
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2.1398413808692376E-74 1.3383045961898386E-74 8.3615944829990666E-75
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5.2189516668967300E-75 3.2541441395525820E-75 2.0269775079360688E-75
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1.2613017585217263E-75 7.8405457706648091E-76 4.8688915639277398E-76
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7.1666520168945713E-77 4.4276376231417376E-77 2.7326252574305352E-77
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1.6847661657441273E-77 1.0376479161715703E-77 6.3842593675662546E-78
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3.9239225797971019E-78 2.4092342345814172E-78 1.4776976864727861E-78
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1.0510699119285255E-80 6.3726251109109861E-81 3.8596191588970912E-81
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2.3351195870657866E-81 1.4112750474980273E-81 8.5202303063090451E-82
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5.1383941151363905E-82 3.0955595697763864E-82 1.8628842306698100E-82
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1.1198678640959210E-82 6.7248280071188233E-83 4.0339297530042984E-83
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2.4171716833373922E-83 1.4468314733094080E-83 8.6508532477927404E-84
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1.0937389546259708E-84 6.5042370544531557E-85 3.8637156987346845E-85
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7.9963440560035985E-89 4.6615498756907816E-89 2.7144501038284399E-89
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1.5788661000758623E-89 9.1731794708963765E-90 5.3235933914698509E-90
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3.0860254469016381E-90 1.7869113557178283E-90 1.0335098870124793E-90
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5.9708151126540242E-91 3.4455551927255514E-91 1.9860520990308725E-91
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1.1434762227102462E-91 6.5760930848818719E-92 3.7775681988114783E-92
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2.1675017573201632E-92 1.2422488973279421E-92 7.1114642636868462E-93
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4.0663984103261142E-93 2.3225257428215472E-93 1.3249823444143310E-93
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7.5501889705248254E-94 4.2973720650883953E-94 2.4431195792482763E-94
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1.3873382248938768E-94 7.8689188727560589E-95 4.4580208596281031E-95
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2.5226828966384242E-95 1.4258570639303523E-95 8.0497298556962987E-96
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4.5391844274077702E-96 2.5566117523628076E-96 1.4382731869348855E-96
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8.0817769133192329E-97 4.5358681524296831E-97 2.5427361320209717E-97
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1.4237334623313116E-97 7.9623604360748362E-98 4.4477455323054411E-98
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2.4815452823747007E-98 1.3828907265495834E-98 7.6972594416269427E-99
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4.2792356107449967E-99 2.3761688479447371E-99 1.3178580461453737E-99
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0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
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0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
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0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
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0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
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0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
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0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
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0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
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0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
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0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
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0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
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1 =l
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|
0.0000000000000000E+00 2.0728678250529560E-18 1.0121697821019452E-17
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|
2.7776462444854617E-17 6.0153435953225793E-17 1.1431941544114118E-16
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1.9986878836210312E-16 3.2963432781649213E-16 5.2055537165685320E-16
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7.9473005199527593E-16 1.1806814976326582E-15 1.7148714428856036E-15
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2.4434984518877669E-15 3.4246220173116848E-15 4.7306581262183939E-15
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6.7389594784515546E-41 5.0711712727351883E-41 3.8135709036272283E-41
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2.8659128530516625E-41 2.1522922264740540E-41 1.6152735804659314E-41
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1.2114263925797122E-41 9.0793248194308694E-42 6.8000976447402118E-42
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5.0895725373645632E-42 3.8067251603283184E-42 2.8452817711512315E-42
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2.1252110952400984E-42 1.5862856325633788E-42 1.1832124155683106E-42
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8.8195320828397019E-43 6.5694552199616107E-43 4.8900538462034860E-43
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3.6374571360500867E-43 2.7038436244587827E-43 2.0084646183512263E-43
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1.4908886636423967E-43 1.1059210774686953E-43 8.1978588547088327E-44
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6.0725849509166119E-44 4.4951387748041858E-44 3.3251284937638261E-44
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9.8859312182095553E-45 7.2870915682870697E-45 5.3676423002136216E-45
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3.9509822729381513E-45 2.9061514704659927E-45 2.1361047110711256E-45
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1.5689800842298176E-45 1.1516019723053066E-45 8.4465025779172778E-46
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6.1907100111242660E-46 4.5341146639282603E-46 3.3184288053178428E-46
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2.4269450851382664E-46 1.7736760622326361E-46 1.2953139428997338E-46
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9.4528251758939883E-47 6.8934008068878961E-47 5.0233128055817010E-47
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3.6578944567152767E-47 2.6616799947184800E-47 1.9353686400920769E-47
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1.4062230552714996E-47 1.0210026019852661E-47 7.4076604839002307E-48
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5.3705200061071836E-48 3.8907392078112282E-48 2.8166175448910783E-48
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2.0375256152445970E-48 1.4728454398401396E-48 1.0638726220589576E-48
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1.0689701072706333E-49 7.6754780788368565E-50 5.5070471442957143E-50
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3.9482540706369712E-50 2.8285494934521988E-50 2.0248568228822210E-50
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5.2774483553700190E-51 3.7636181024234716E-51 2.6819807847395696E-51
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1.9097379621877385E-51 1.3588119423848273E-51 9.6607719890676735E-52
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6.8632632894834517E-52 4.8720898041244790E-52 3.4559317229608917E-52
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2.4495127952589141E-52 1.7348359201115516E-52 1.2277238094872406E-52
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8.6817239764913029E-53 6.1344232313028879E-53 4.3311518146944469E-53
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3.0555854169793927E-53 2.1540026974444166E-53 1.5172539963408291E-53
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1.0678985836280719E-53 7.5103615347797814E-54 5.2777671826984081E-54
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3.7059333369974561E-54 2.6001739614711051E-54 1.8229051477296922E-54
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1.2769739523867152E-54 8.9383167851471921E-55 6.2515055077038905E-55
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4.3688597179609747E-55 3.0507429885712944E-55 2.1286125433754460E-55
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1.4840226113235578E-55 1.0338005458629240E-55 7.1958941347621009E-56
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5.0047682704804175E-56 3.4780339105481524E-56 2.4150921700108775E-56
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1.6756491715014719E-56 1.1616663222385156E-56 8.0468896531536310E-57
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5.5695802243878161E-57 3.8518031084992310E-57 2.6616584052141809E-57
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1.8377507315232153E-57 1.2678455869697887E-57 8.7395891854829905E-58
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6.0194941022115257E-58 4.1425972243372247E-58 2.8485811112347549E-58
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1.9571632642633256E-58 1.3435923622935795E-58 9.2161476283722572E-59
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6.3164369317840139E-59 4.3254885726872917E-59 2.9596329616545899E-59
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1.9761406442422427E-61 1.3363327619183538E-61 9.0290541266384720E-62
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6.0953715045457322E-62 4.1113816642060706E-62 2.7707957055417102E-62
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1.8657339733605612E-62 1.2552286449586788E-62 8.4376843732328302E-63
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5.6669636436725602E-63 3.8028018520377348E-63 2.5496612838201874E-63
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1.7079934706473931E-63 1.1431790277453662E-63 7.6447980458892750E-64
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5.1078826591465143E-64 3.4098740066668520E-64 2.2743519791782559E-64
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1.5156479771332874E-64 1.0091593100864440E-64 6.7133800667993795E-65
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4.4621303297424141E-65 2.9632082586090444E-65 1.9660764573155753E-65
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1.3033358080438644E-65 8.6323559999713988E-66 5.7124030326055124E-66
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3.7768019818947621E-66 2.4948523985114522E-66 1.6465698405878066E-66
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1.0857491656218720E-66 7.1530669529434618E-67 4.7083409319547441E-67
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8.7596423850642750E-68 5.7400666295947854E-68 3.7579988027900479E-68
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2.4581301404838917E-68 1.6064270961893901E-68 1.0488767707818073E-68
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1.8890300360041530E-69 1.2278053412779408E-69 7.9730365452978741E-70
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5.1727435860205019E-70 3.3528991015377175E-70 2.1713094997491619E-70
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1.4048309649238922E-70 9.0808578333815092E-71 5.8644801870276609E-71
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3.7838279948074709E-71 2.4391125355890785E-71 1.5708338559173860E-71
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1.0107086967189206E-71 6.4970836580937511E-72 4.1726022964238912E-72
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7.0324928773620764E-73 4.4954043819338780E-73 2.8709162121995499E-73
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1.1725155569389297E-77 7.3251540827629987E-78 4.5718482811690711E-78
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2.8506447572910534E-78 1.7757015895744234E-78 1.1050242528551299E-78
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1.6410261111594699E-79 1.0162071282295898E-79 6.2866604289218723E-80
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1.1162830038320466E-82 6.8098438293621709E-83 4.1501242368567806E-83
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2.5266523047348825E-83 1.5367019366300028E-83 9.3366891244759085E-84
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5.6670180262332401E-84 3.4361653598053808E-84 2.0813763357726064E-84
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2.7734119036164755E-85 1.6713458874078083E-85 1.0061699900257371E-85
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6.0510225159581641E-86 3.6352801786279668E-86 2.1817151235114339E-86
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1.3080024363990632E-86 7.8337326008762142E-87 4.6868163275890965E-87
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1.2489847997902097E-88 7.4102665612722958E-89 4.3919091680310348E-89
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2.6002492753302509E-89 1.5378640047662122E-89 9.0857581845015370E-90
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5.3622006941871765E-90 3.1612595190213668E-90 1.8616744634148452E-90
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3.9250550822578628E-92 1.7105503300995402E-92 0.0000000000000000E+00
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0 =l
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0.0000000000000000E+00 7.3027639536291666E-10 1.6137198519463711E-09
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2.6732521512790875E-09 3.9339757416730850E-09 5.4232728594409384E-09
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|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
0.0000000000000000E+00 0.0000000000000000E+00 0.0000000000000000E+00
|
|
Psp has been created with the following parameter sets:
|
|
-7.403474942054E+00 7.854541370015E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
|
|
-7.539285845118E+00 9.116912386394E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
|
|
-9.315140223029E+00 4.823358926780E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|