Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.92180147767067
cohesive_energy=5.8506096220346135
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.63321079540058e-19, 2.6184853382452197e-19, 3.4577535244334397e-19, 4.1875610029867796e-19, 4.833206142956099e-19, 5.40930079524348e-19, 5.92582652027874e-19, 6.390105265279259e-19, 6.80782475729574e-19, 7.18358324326776e-19, 7.521834774237839e-19, 7.826264356464179e-19, 8.09759296943208e-19, 8.337374724476519e-19, 8.5480128865485e-19, 8.73147813290784e-19, 8.889308553123178e-19, 9.022849975567079e-19, 9.133288010948698e-19, 9.22169611761282e-19, 9.289019579773498e-19, 9.336139594579439e-19, 9.36388929388032e-19, 9.3729736353951e-19, 9.363120249096e-19, 9.33109273818234e-19, 9.272693399873039e-19, 9.182859356004659e-19, 9.055278030639239e-19, 8.882146823569199e-19, 8.654253219149039e-19, 8.360462089772459e-19, 7.98707482521876e-19, 7.51714039670022e-19, 6.929429963816339e-19, 6.19744352504076e-19, 5.287631501657519e-19, 4.1576002999309796e-19, 2.75279580547344e-19, 9.99740595673026e-20, -1.197180026634114e-19, -3.96428166727254e-19, -7.47348108342372e-19, -1.19616104229489e-18, -1.7763172123494597e-18, -2.5358931327625198e-18, -3.54524839041618e-18, -4.91172881978844e-18, -6.804828686990159e-18, -9.500667113124898e-18, -1.34745458184351e-17, -1.9599266546058598e-17, -2.96011746191304e-17, -4.72534761195522e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.26270284990531e-25 eV

========================================
theta = 0.0
========================================

Energy: 0.023479735753383954
Energy: 0.4576513446480524
Energy: 0.4590123260299456
Energy: 0.6580740454457044
Energy: 0.6660432214928793
Energy: 0.2767375291485036
Energy: 0.024588838025777913
Energy: 0.10579676914459814
Energy: 0.8001500686037176
Energy: 0.20763201338082918
Energy: 0.45983446186947047
Energy: 0.4595748891095888
Energy: 0.02501323528521251
Energy: 0.10795650184477683
Energy: 0.024197720863424657
Energy: 0.6651281492971839
Energy: 0.6275697193934612
Energy: 0.6214161335701291
Energy: 0.5476889162489332
Energy: 0.10544822611319675
Energy: 0.10704971582988297
Energy: 0.02666711195109247
Energy: 0.4586347093358113
Energy: 0.6295217756769469
Energy: 0.658113568257822
Energy: 0.6656737062019008
Energy: 0.10592673122260785
Energy: 0.024534145206651915
Energy: 0.10685597724150933
Energy: 0.8065515054646557
Energy: 0.20766923146919042
Energy: 0.46242173940343456
Energy: 0.45912257387280814
Energy: 0.02477675225813707
Energy: 0.10639075255940361
Energy: 0.02401892482656247
Energy: 0.45885474784802105
Energy: 0.6272140688801369
Energy: 0.6200170054149372
Energy: 0.5454211417756573
Energy: 0.10540039933335123
Energy: 0.10711234161561084

minimum gb energy = 0.023479735753383954 eV
minimum distance =  2.74754022193794 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.071245402482062
Energy: 1.2108107543610598
Energy: 1.0679048574858017
Energy: 1.1449327624488985
Energy: 1.1320721490199677
Energy: 1.0297565446428303
Energy: 1.1736865316418037
Energy: 0.977874378636799
Energy: 1.0439901993898917
Energy: 1.0160052038137488
Energy: 1.0843211691812165
Energy: 1.0179797897552538
Energy: 1.0127430915640274
Energy: 1.0564128653425158
Energy: 1.1028747030421084
Energy: 1.0299113535029016
Energy: 1.0660839785928964
Energy: 1.0150863319200472
Energy: 1.0196121187153202
Energy: 1.0637419045757814
Energy: 1.0908445592226006
Energy: 0.9600777397908012
Energy: 1.0909786002406348
Energy: 0.9906289074029389
Energy: 1.0732322535407803
Energy: 1.0747880255486133
Energy: 0.9576889315411453
Energy: 1.042687527590419
Energy: 1.029171437260539
Energy: 1.00303800682193
Energy: 0.9804870986119637
Energy: 1.048700189387979
Energy: 1.0531796980961265
Energy: 1.013926233730205
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Energy: 1.0174416149488024
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Energy: 1.0759593210120373
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Energy: 1.0545029412577978
Energy: 1.0494899401809765
Energy: 1.0519533674393589
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Energy: 1.0382396814301096
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Energy: 1.0665025830829329
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Energy: 1.0378681736693782
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Energy: 1.0866742938100995
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Energy: 1.0640199527382233
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Energy: 0.9928496662592243
Energy: 1.0733567881195458
Energy: 1.0449945035885024
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Energy: 1.081128357236475
Energy: 1.0316082766283712
Energy: 1.0300424349494604
Energy: 1.0429070293377913
Energy: 0.9793621551407877
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Energy: 1.0636360703029435
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Energy: 1.0590255753772104
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Energy: 1.03800247302925
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Energy: 1.113774379379188
Energy: 1.0350859601691604
Energy: 0.9983716021714241
Energy: 1.0109356299146477
Energy: 1.0575612020551666
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Energy: 1.0128613902636967
Energy: 1.1067622221309372
Energy: 1.0318521000151946
Energy: 1.0294957227670698
Energy: 1.0375433662174816
Energy: 1.01186074259663
Energy: 1.0602632738621687
Energy: 1.0369279211900033
Energy: 0.9919182988999555
Energy: 1.0453456926943585
Energy: 1.0852817702335555
Energy: 1.1711337540143407
Energy: 1.0818296973800363
Energy: 1.1059526669473985
Energy: 1.0093746147637386
Energy: 1.07720242114031
Energy: 1.1181019531952496
Energy: 1.0019103328063506
Energy: 1.071740001607147
Energy: 0.9983940665195243
Energy: 1.0856236285186418
Energy: 1.043495104315834
Energy: 1.0343978900494442
Energy: 1.0181565778310835
Energy: 1.1024613448919867
Energy: 1.047836751340879
Energy: 1.002107406154015
Energy: 1.032869482748365
Energy: 1.0593677095247043
Energy: 1.0144580455158643
Energy: 0.9978775403336385
Energy: 1.0028287001446494
Energy: 1.0823128614620443
Energy: 1.0333823243311615
Energy: 1.1182563938494776
Energy: 1.0687185532664476
Energy: 1.000712218042064
Energy: 1.0762818564248438
Energy: 0.9819655266252936
Energy: 1.0760501029196547
Energy: 1.0745883120033624
Energy: 1.065275026055739
Energy: 1.0632448812589261
Energy: 1.041013255131181
Energy: 1.078995890250724

minimum gb energy = 0.9576889315411453 eV
minimum distance =  2.52272493887391 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.0236618418237329
Energy: 1.0506427793717847
Energy: 1.025588594877082
Energy: 0.9820971701404715
Energy: 1.193979547944867
Energy: 0.992178135179878
Energy: 1.032394552568003
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Energy: 1.061981178694804
Energy: 1.0015160058963548
Energy: 0.9771989249940988
Energy: 0.9754448601624868
Energy: 1.005353166973547
Energy: 1.0288909615953705
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Energy: 0.9917846391322874
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Energy: 1.0515094211586378
Energy: 0.9490160699726665
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Energy: 1.0405060037042397
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Energy: 1.0923353929698703
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Energy: 0.9886031131067904
Energy: 0.9825396877929817
Energy: 0.9763631879707588
Energy: 1.0755535442492279
Energy: 1.0982487658518383
Energy: 1.0835744902254165
Energy: 1.0461357671381257
Energy: 0.9844260740507499
Energy: 0.9685129485285422
Energy: 0.970278469785315
Energy: 0.9769591702579372
Energy: 1.0345038782185083
Energy: 1.055228791797835
Energy: 1.0856871199850688
Energy: 1.0726230253752331
Energy: 0.9755093124706377
Energy: 0.9601045398721146
Energy: 1.0948333518014608
Energy: 1.0462005733421884
Energy: 0.9936655372210164
Energy: 1.0258261008231033
Energy: 1.0280047555621912
Energy: 0.9894934282434509
Energy: 1.0191689186468267
Energy: 1.0725060503664539
Energy: 1.0425255219257554
Energy: 1.0196527168942107
Energy: 1.015087435436298
Energy: 1.029908740607948
Energy: 0.989341948029987
Energy: 1.0397631091208352
Energy: 1.008358917475134
Energy: 1.0289688532090613
Energy: 0.9876487710713717
Energy: 1.0044624430399414
Energy: 1.0403282099963067
Energy: 1.0092769805490964
Energy: 1.0406159343791568
Energy: 1.004765712920497
Energy: 0.994689204574832
Energy: 0.9946680275896093
Energy: 0.9995953713154606
Energy: 1.0363574091275924
Energy: 0.9766622309263653
Energy: 1.0908312102683733
Energy: 0.9839455462840005
Energy: 1.0044437211942094
Energy: 1.0148918006236265
Energy: 1.00251553233163
Energy: 1.019014487667883
Energy: 0.9946399048501067
Energy: 1.0443868609242113
Energy: 1.0508729122087805
Energy: 1.0141930933084864
Energy: 1.0142865494456652
Energy: 1.0244365086413596
Energy: 1.053161473708007
Energy: 0.9845850332119215
Energy: 0.9940452658402342
Energy: 1.0377592434139462
Energy: 1.0372242654847101
Energy: 1.0047580476836069
Energy: 1.0184202723010356
Energy: 1.0115859290076372
Energy: 1.000973073933318
Energy: 1.0013797885681712
Energy: 1.0009923119516397
Energy: 1.1195639301469988
Energy: 0.9814874928813365
Energy: 1.1174173483895407
Energy: 1.0539402648518328
Energy: 0.985627279339613
Energy: 0.9601965409808126
Energy: 1.0960056458665421
Energy: 1.0854934513696897
Energy: 1.0442041102836743
Energy: 1.050109423315419
Energy: 0.9798219032023723
Energy: 0.9854294412452242
Energy: 0.9604676901264004
Energy: 0.9845436026875641
Energy: 1.085530614650198
Energy: 1.0701868318545171
Energy: 1.0111651965423942
Energy: 1.0518650281664759
Energy: 0.9928177273957914
Energy: 0.9606334763088799
Energy: 1.0408141176827066
Energy: 1.0643939458382985
Energy: 1.02167378069452
Energy: 1.0322301899947388
Energy: 1.06763648080318
Energy: 1.0231390634618418
Energy: 0.9843726146023178
Energy: 1.0672797823167015
Energy: 1.017334440289617
Energy: 1.054604835734692
Energy: 1.010082277743445
Energy: 1.0310498795881693
Energy: 0.9885164003730577
Energy: 1.0700760759345793
Energy: 0.9892754497450398
Energy: 1.0218469221920663
Energy: 0.9992038358850027
Energy: 0.9978128821066212
Energy: 0.9948386649634153
Energy: 1.0381187776383787
Energy: 0.9670501206421817
Energy: 1.029974599846196
Energy: 0.9883357101838548

minimum gb energy = 0.9490160699726665 eV
minimum distance =  2.52245472860554 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.0347810355498042
Energy: 1.0023510375258562
Energy: 1.0347125028498125
Energy: 0.9724490427636203
Energy: 0.9393648194812355
Energy: 0.9621662455597277
Energy: 1.0311426942756228
Energy: 0.9849231739116956
Energy: 1.035875614036591
Energy: 1.0013872947356437
Energy: 0.9853177436218806
Energy: 0.9695073827932343
Energy: 0.9948587128217108
Energy: 1.0408894482378315
Energy: 0.9955687117809894
Energy: 0.972066187626122
Energy: 1.020844725407048
Energy: 0.963838031934742
Energy: 0.983393270949306
Energy: 0.9912259386423246
Energy: 0.9779165135765188
Energy: 0.9662426309108517
Energy: 1.0122728018726141
Energy: 0.9910201816734981
Energy: 1.0578824975781143
Energy: 1.0176658601404185
Energy: 0.9961130540698087
Energy: 1.0670266786935003
Energy: 1.0017041891712068
Energy: 0.9803862344683997
Energy: 0.9759768874205865
Energy: 1.0847134268375958
Energy: 0.9762505013946905
Energy: 1.059955051602924
Energy: 0.9876675216603353
Energy: 0.9817733349948882
Energy: 0.9582913328642918
Energy: 0.974291264118961
Energy: 0.992427416311965
Energy: 0.9703800287767763
Energy: 0.9619789557334821
Energy: 1.0133139669517874
Energy: 1.0331049502250218
Energy: 1.0023108216829983
Energy: 1.0368300069572334
Energy: 0.974129583673604
Energy: 1.0308765857224955
Energy: 0.9925430712252469
Energy: 1.0121888870830191
Energy: 0.995324819979842
Energy: 1.0464701634445086
Energy: 0.9931579096503571
Energy: 1.0346752544014328
Energy: 1.0128483541222295
Energy: 1.056663765073848
Energy: 1.035388736802505
Energy: 0.9938133834823776
Energy: 0.9799177741903194
Energy: 1.0261279735137112
Energy: 0.9722550796113495
Energy: 0.9677388395341501
Energy: 1.010422338278652
Energy: 0.9714055146419479
Energy: 0.968258710821351
Energy: 0.9907973440652909
Energy: 1.0547629678214616
Energy: 1.00122559684335
Energy: 1.0296214415026075
Energy: 0.9711095130454771
Energy: 1.0282409157936858
Energy: 1.0049014024861531
Energy: 1.0001019681883587
Energy: 0.9641805044234444
Energy: 1.0897252418105219
Energy: 0.9906428872137348
Energy: 1.0209735243657865
Energy: 1.0014483389453717
Energy: 0.9669094596073512
Energy: 0.9595674759444108
Energy: 0.9717147511253429
Energy: 1.0161413405243436
Energy: 0.9857354943213033
Energy: 1.0055202860524162
Energy: 0.9706702314411162
Energy: 1.0081941290841794
Energy: 0.9844137420866645
Energy: 1.0089008370035966
Energy: 0.9883902625547988
Energy: 0.9933604679018907
Energy: 0.9640954569624899
Energy: 1.0689336556424855
Energy: 1.0268616683036789
Energy: 1.0406870787387115
Energy: 0.9771880898007295
Energy: 1.0155919639975206
Energy: 1.0414640761688676
Energy: 1.011984430234091
Energy: 1.1056185306443596
Energy: 0.9768630609917205
Energy: 0.9869683445795175
Energy: 0.9785112966714268
Energy: 0.9615473586530916
Energy: 1.0184481793054196
Energy: 0.9784435832350844
Energy: 0.9851604481940375
Energy: 0.990372910845549
Energy: 0.9956267279622196
Energy: 1.0308377971633338
Energy: 1.0119285913070062
Energy: 1.0071530087765896
Energy: 0.9654485260066318
Energy: 0.992727260335786
Energy: 1.078426602982997
Energy: 1.0116189607701453
Energy: 0.9847964560873632
Energy: 1.0356067971869587
Energy: 0.9811543352040011
Energy: 1.0536441560027598
Energy: 0.9934408504357086
Energy: 0.9669701802934899
Energy: 1.0035003671897096
Energy: 0.9817556887677792
Energy: 0.9711155380621923
Energy: 0.981099814698447
Energy: 0.9763461637196672
Energy: 0.9638633185846786
Energy: 1.006501406221547
Energy: 1.009588152456936
Energy: 1.035853587560643
Energy: 0.9701392002518628
Energy: 1.030500978068281
Energy: 0.9614851914246749
Energy: 1.0504022632642016
Energy: 1.0171297473945546
Energy: 1.0549232450807668
Energy: 0.9907429505814876
Energy: 1.0847016494486905
Energy: 1.0386558178454601
Energy: 1.0682429072042716
Energy: 1.0527474084341883
Energy: 1.0035686476623342
Energy: 0.9720393761974335
Energy: 0.9809755696096918
Energy: 0.9925975424652533
Energy: 1.0041167997231275
Energy: 0.9893371974451325
Energy: 1.0115942739583734
Energy: 0.9699366008850467
Energy: 1.0100626399322576
Energy: 0.9751156564875716
Energy: 0.9909701650341827
Energy: 1.0140709560289658
Energy: 0.9897772675568933
Energy: 0.9647214116278727
Energy: 1.0212819973534857
Energy: 0.9825459592990085
Energy: 0.9757210662683963
Energy: 1.0485661783513014
Energy: 0.9654227731606416
Energy: 1.0581217945824004
Energy: 0.9909958862398095
Energy: 0.9980041990189881
Energy: 0.9954619653505882
Energy: 0.9746063534531394
Energy: 0.9928491044803835
Energy: 1.0243033961449073
Energy: 0.9947454728938401
Energy: 0.9799821690199593
Energy: 0.9967027361702864
Energy: 0.9570510877953663
Energy: 1.0353754157605075
Energy: 0.9756804009252803
Energy: 1.0345794748287676
Energy: 0.9622867013285986
Energy: 0.9749243092422244
Energy: 1.0349232127833672
Energy: 1.030133737960898
Energy: 0.9900176271327972
Energy: 1.0541515783317954
Energy: 1.0269414434570159
Energy: 1.03026437262934
Energy: 1.0449198122082237
Energy: 0.9986187457249989
Energy: 0.9990427503033575
Energy: 0.9981288217779347
Energy: 0.9720501925510001
Energy: 1.0823178863428415
Energy: 0.9707353426652965
Energy: 0.9773119727448373
Energy: 0.9893761834502613
Energy: 1.0119522895283963
Energy: 0.9856072642879101
Energy: 0.9992033972410796
Energy: 1.0023026645013833
Energy: 0.9735698102669668
Energy: 0.9788427592738003
Energy: 0.983134985657546
Energy: 0.98995147779151
Energy: 0.9622944435377035
Energy: 1.062594259156949
Energy: 0.9941648873195377
Energy: 1.0246623247846947
Energy: 0.9708933655139338
Energy: 0.9712926362090013
Energy: 1.0066723379639138
Energy: 1.0380215506611752
Energy: 1.0204204558994634
Energy: 0.9983527030461039
Energy: 0.965700371595768
Energy: 1.0059129962945303
Energy: 1.0328312386034417
Energy: 0.9758109345732023
Energy: 1.0174877252734034
Energy: 0.9796431322745995
Energy: 0.9780232765558692
Energy: 0.9670018811042799
Energy: 1.017341880525401
Energy: 1.0179228294610225
Energy: 1.0155725455198996
Energy: 0.9775395196512032
Energy: 1.0685079863225428
Energy: 1.0422213431818796
Energy: 1.0118723304383908
Energy: 0.968371515008756
Energy: 1.0337272667926034
Energy: 0.9917293041845473
Energy: 0.9822530774464915
Energy: 0.9676325945813548
Energy: 1.0589371362954765
Energy: 0.9634816771657854
Energy: 0.9965563568654843
Energy: 0.97695488270477
Energy: 0.9640120352801828
Energy: 0.9749596226276566
Energy: 0.9907533144444765
Energy: 0.9838130331410885
Energy: 0.9956869485310498
Energy: 0.9734529001242526
Energy: 0.9710569309092416
Energy: 1.004298796035428
Energy: 0.9923728310866367
Energy: 1.045828457899772
Energy: 0.9838844618839351
Energy: 1.052791096815619
Energy: 1.021461197042755
Energy: 0.9953048016550448
Energy: 1.0242622931485421
Energy: 0.9984891562611335
Energy: 1.0232175116184035
Energy: 1.0312500437131271
Energy: 0.9658321828466354
Energy: 1.0129289256494167

minimum gb energy = 0.9393648194812355 eV
minimum distance =  2.51456689280469 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.9330223881829767
Energy: 0.9725191714863232
Energy: 1.0761257364456045
Energy: 1.1349680577741716
Energy: 1.0199579460125323
Energy: 1.0557137440545374
Energy: 0.911249488132915
Energy: 0.9694107588035742
Energy: 1.0058762768617093
Energy: 1.0201527866912068
Energy: 0.9682183747411909
Energy: 0.9419744665564254
Energy: 0.9659304726556309
Energy: 0.9801526372513041
Energy: 0.9695766443483717
Energy: 0.9429797454821682
Energy: 0.9554939766891322
Energy: 0.9616972760853285
Energy: 0.9377997061008532
Energy: 0.9680559282801539
Energy: 0.9668724903577749
Energy: 0.9650951172942672
Energy: 0.9325129423907254
Energy: 0.9335326873551549
Energy: 0.9417634769587953
Energy: 0.9708664234254983
Energy: 0.9580828627489939
Energy: 1.021730790910886
Energy: 0.972169268847576
Energy: 0.9363204729535096
Energy: 0.9548730179678238
Energy: 0.9668475451100039
Energy: 1.0432326025443805
Energy: 0.9171028064409764
Energy: 0.9660801432331051
Energy: 0.9105017439732354
Energy: 0.9379831451346327
Energy: 0.9549951672833773
Energy: 0.9525022121275185
Energy: 0.9852008723520865
Energy: 0.9934816762259217
Energy: 0.9704351825259114
Energy: 0.9723294080911437
Energy: 0.9775930183818656
Energy: 0.9526013838120381
Energy: 1.0204569062183735
Energy: 0.9106686083556175
Energy: 0.9123433659714717
Energy: 0.9876054997528421
Energy: 0.9143165989802948
Energy: 0.9845327276013665
Energy: 1.037395717609269
Energy: 0.9677045555500614
Energy: 1.0494181761393124
Energy: 0.9663091141000156
Energy: 0.9690841021663992
Energy: 0.9154914036988371
Energy: 0.9821856727859651
Energy: 1.0364516838274251
Energy: 0.9230190342920253
Energy: 0.9360750713654868
Energy: 0.9593051079811462
Energy: 0.969857707521158
Energy: 0.9712176602394035
Energy: 0.9766455734731765
Energy: 0.9594323622945818
Energy: 0.9716131175685289
Energy: 0.9394215306722963
Energy: 0.9679935235922706
Energy: 0.9660454462981072
Energy: 0.9610082635929561
Energy: 0.9244633235358019
Energy: 0.9573817888884524
Energy: 0.927363775965752
Energy: 0.9403791211313111
Energy: 0.9792940067790425
Energy: 1.0219971496252014
Energy: 0.9860355031479797
Energy: 0.9376823768164652
Energy: 0.9243596267658619
Energy: 0.9325777247354244
Energy: 0.9687577221935576
Energy: 0.9583081164202808
Energy: 0.9807260087287163
Energy: 0.9086272240276589
Energy: 0.9350774115355588
Energy: 0.9998721785548034
Energy: 0.9548380018492216
Energy: 0.9578964543980902
Energy: 0.9645221504296192
Energy: 0.969079070731308
Energy: 0.970551003071251
Energy: 0.9235243829630241
Energy: 0.9568993575461636
Energy: 1.040655623201573
Energy: 0.9139802869638038
Energy: 0.9107070100813083
Energy: 0.9795699958724744
Energy: 0.9122983617173314
Energy: 0.9797099027251647
Energy: 0.9545466921130229
Energy: 1.0411088174868566
Energy: 0.917553227215539
Energy: 0.9086831557803726
Energy: 1.007028121639038
Energy: 0.9061622432220936
Energy: 0.9937804813733346
Energy: 0.969705131427486
Energy: 0.9595833594103574
Energy: 1.0196653908201065
Energy: 1.0571480573542698
Energy: 0.9113962712573794
Energy: 0.9673292587956195
Energy: 1.0056163864155792
Energy: 1.0208843117715134
Energy: 0.9680170670468446
Energy: 0.9424905669646707
Energy: 0.9667197157552441
Energy: 0.9817110569570386
Energy: 0.9705597596309087
Energy: 0.9396962926881659
Energy: 1.0228586196598044
Energy: 0.9615156008117854
Energy: 0.9381681143771885
Energy: 0.9682710287516497
Energy: 0.9670164239457666
Energy: 0.964718002080482
Energy: 0.9251674609240731
Energy: 0.9364505606670048
Energy: 0.9422018740034547
Energy: 0.9704927711854385
Energy: 0.958428340727215
Energy: 1.0868069978234183
Energy: 0.9728100843296499
Energy: 0.9362152501933784
Energy: 0.9550083806029696
Energy: 0.9586037555978765
Energy: 1.0202068684443792
Energy: 0.9615762147171416
Energy: 0.9712641665001359
Energy: 0.9095010610267621
Energy: 0.9400133377420036
Energy: 0.9548987366910022
Energy: 0.9666954358655414
Energy: 0.9845729274291001
Energy: 0.9092572853277261
Energy: 0.9723419883545851
Energy: 0.9726626742468101
Energy: 1.0195114708903195
Energy: 0.9510246362956971
Energy: 1.027543749444427
Energy: 0.9112112580291641
Energy: 0.9126977770206284
Energy: 0.9797430873193386
Energy: 0.9135328248458751
Energy: 0.9853960058880822
Energy: 1.0378662159789762
Energy: 0.9806170360992486
Energy: 1.0527026051038948
Energy: 0.966752161764027
Energy: 0.9658740921923664
Energy: 0.9099148659789463
Energy: 0.9820401046793952
Energy: 1.0368752783545374
Energy: 0.9228717095229656
Energy: 0.9426767565675727
Energy: 0.9180194862256306
Energy: 0.9675634729398591
Energy: 0.9705586233910722
Energy: 1.0141437862358211
Energy: 0.9554676136213568
Energy: 0.9561511342689215
Energy: 0.9391778867999475
Energy: 0.9682049726148128
Energy: 0.9663136128876598
Energy: 0.9650434270133125
Energy: 0.9238010737636196
Energy: 0.9577276660172933
Energy: 0.927688327354873
Energy: 0.9414294518957422
Energy: 0.9543775759958526
Energy: 1.0238172784224722
Energy: 0.9881943854074233
Energy: 0.9375618751251791
Energy: 0.9241267855522248
Energy: 0.9387958416765151
Energy: 0.9692082650614136
Energy: 0.9547811914148658
Energy: 0.9803316884937944
Energy: 0.9091482226932631
Energy: 0.9351278444963295
Energy: 0.9988494828978411
Energy: 0.9573584900055645
Energy: 0.9580624421598801
Energy: 0.974248946215027
Energy: 0.9692641275935244
Energy: 0.9714175201681075
Energy: 0.9235983126778273
Energy: 0.9567647399617044
Energy: 1.0668071301862192
Energy: 0.9140730444117809
Energy: 0.9085583507931364
Energy: 0.9798558698485184
Energy: 0.910706837731236
Energy: 0.9787551590901165
Energy: 0.9499497855389212
Energy: 0.9652038415992599
Energy: 0.912535188716999
Energy: 0.9088764415900711
Energy: 1.0062580127410952

minimum gb energy = 0.9061622432220936 eV
minimum distance =  2.56114563570806 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.1564458802121602
Energy: 1.039011656359253
Energy: 1.1293338276401224
Energy: 1.2053936129806846
Energy: 1.0177389126052643
Energy: 0.9669832213582287
Energy: 1.0914245621131158
Energy: 0.9591644170059557
Energy: 1.0157380191484529
Energy: 1.0662928563851737
Energy: 0.8656520881589418
Energy: 1.0039141538232406
Energy: 1.1256481082803482
Energy: 0.9675941741682978
Energy: 1.0311628972998859
Energy: 1.0192403961613339
Energy: 0.9903717829908933
Energy: 0.8647861932818887
Energy: 1.0083993081652023
Energy: 0.9361971952031638
Energy: 0.9627635301073619
Energy: 0.9234686347523217
Energy: 0.9344593774362092
Energy: 1.004807711555054
Energy: 1.0822016473716822
Energy: 0.9688980037103176
Energy: 0.9673928484181484
Energy: 1.0480729814481422
Energy: 0.9226589135861426
Energy: 0.8992457612325141
Energy: 0.9859886530160358
Energy: 0.9294623740936839
Energy: 0.929295633275101
Energy: 0.9509927377141747
Energy: 0.963467142460361
Energy: 0.8951664641890031
Energy: 0.8982221540317608
Energy: 0.967254513887586
Energy: 0.9228078203091494
Energy: 0.9213499858692707
Energy: 0.941369948019132
Energy: 0.9518726620759888
Energy: 0.9219398956586415
Energy: 0.9282993164123234
Energy: 0.9687586015651806
Energy: 0.8975004421000441
Energy: 0.8973789838787452
Energy: 0.8964577134388249
Energy: 0.9520346248588661
Energy: 0.9504958618459263
Energy: 0.9323806840318581
Energy: 0.9866980840285222
Energy: 0.9800811530036307
Energy: 0.8975418527261712
Energy: 0.9239302275441035
Energy: 0.9673293240377643
Energy: 0.9618656662345179
Energy: 0.9302252082429205
Energy: 0.9881993040508377
Energy: 0.9308640328347911
Energy: 1.0040124940803523
Energy: 0.9448658659867761
Energy: 1.0472458655785406
Energy: 0.9243166359366215
Energy: 1.0457734955936158
Energy: 0.9753145628761473
Energy: 1.0504791324628993
Energy: 0.9858211503783356
Energy: 0.9792305137327781
Energy: 0.9363022062174114
Energy: 0.9497772904956002
Energy: 1.0414515764795849
Energy: 0.9610283560063038
Energy: 0.9208171210183099
Energy: 0.9677565070171839
Energy: 0.8948650035983722
Energy: 0.9680546192153853
Energy: 0.9751626138416243
Energy: 0.997229370430513
Energy: 1.0611934004914134
Energy: 1.0407918530039708
Energy: 1.1313733050897439
Energy: 0.8950446667615816
Energy: 1.086296770856547
Energy: 0.8945738648072485
Energy: 1.0142850396209395
Energy: 1.0318446899685236
Energy: 1.1250722575370975
Energy: 1.0405580284301097
Energy: 0.9844806974153975
Energy: 1.084555600593325
Energy: 0.8973384638367565
Energy: 1.0411787472517904
Energy: 0.9435975669460227
Energy: 0.9250123120442297
Energy: 0.9950881070902966
Energy: 1.0709082835200454
Energy: 1.2394755774228734
Energy: 1.0903703704884407
Energy: 0.9982448147330222
Energy: 1.0427353157574024
Energy: 0.9417647926801613
Energy: 1.1308774733666682
Energy: 0.9216818160991707
Energy: 1.0903490931774154
Energy: 1.0417795996166592
Energy: 0.9331182502568361
Energy: 1.013120772172398
Energy: 1.0417669948038328
Energy: 0.9694277803241176
Energy: 0.9839377985262252
Energy: 1.0498625882934183
Energy: 0.9376922637255252
Energy: 1.0445443510273116
Energy: 0.9713432361648933
Energy: 0.9124350783582239
Energy: 0.8646462412259893
Energy: 0.9381063350236036
Energy: 0.9628586750542281
Energy: 0.8951789774598656
Energy: 0.897551460841316
Energy: 0.9650590720610559
Energy: 0.9640293961245235
Energy: 0.94096163831857
Energy: 0.9642195200582612
Energy: 0.9713102798939695
Energy: 0.8965723929045006
Energy: 0.9247627631727742
Energy: 0.9932056239813162
Energy: 0.9248432088941201
Energy: 0.895171266493112
Energy: 0.89562187828005
Energy: 0.9493303411916717
Energy: 1.0159752615971038
Energy: 0.9302038086526307
Energy: 0.9875447875012902
Energy: 0.9293849471490557
Energy: 0.8966837652413309
Energy: 0.9220495399998856
Energy: 0.9624222203340324
Energy: 0.9669000604905689
Energy: 0.9106343883107941
Energy: 0.98942481856265
Energy: 1.1054052098770164
Energy: 1.0664522627625475
Energy: 0.9627468017928332
Energy: 0.9639661542668729
Energy: 0.9254179728324802
Energy: 0.9330192213624462
Energy: 0.9631475508551568
Energy: 0.9688359095860922
Energy: 0.9560053912050375
Energy: 0.9878087257783873
Energy: 1.0913634407902946
Energy: 1.0326196576813598
Energy: 0.9349855043725813
Energy: 1.0400594919196515
Energy: 1.1351404821020321
Energy: 0.9758083600655681
Energy: 1.0071095965011534
Energy: 1.128775544591535
Energy: 1.094020314730166
Energy: 0.9170840629638811
Energy: 1.0128659393972375
Energy: 1.0554285302450264
Energy: 1.1558407951446732
Energy: 1.1248632124335431
Energy: 1.0724881255821228
Energy: 0.8961104942972963
Energy: 1.0409592987860943
Energy: 0.9929590211047052
Energy: 0.9465876167743206
Energy: 0.9760322472120855
Energy: 1.0080146161850823
Energy: 1.1965926740822612

minimum gb energy = 0.8646462412259893 eV
minimum distance =  2.5064448858875 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.0730644551489004
Energy: 1.192563597986334
Energy: 1.1826038599292095
Energy: 1.063324617640842
Energy: 1.153941926322722
Energy: 1.1182217006359596
Energy: 1.214010953507803
Energy: 1.0399617137951191
Energy: 1.1752133475168993
Energy: 1.157070561731288
Energy: 1.236729005304996
Energy: 1.1963885324548065
Energy: 1.170293576534948
Energy: 1.1571641208231433
Energy: 1.1207891741653635
Energy: 1.1894128798662453
Energy: 1.1489656155614498
Energy: 1.1518717153031415
Energy: 1.1024895772337253
Energy: 1.1101572813492522
Energy: 1.1373876142973927
Energy: 1.1139516121585444
Energy: 1.199538713329303
Energy: 1.1084466376868858
Energy: 1.0722008027743117
Energy: 1.1546193959468098
Energy: 1.1253810597630827
Energy: 1.1832785284222964
Energy: 1.0905813049773894
Energy: 1.198888988727648
Energy: 1.070625979528372
Energy: 1.1260329139452103
Energy: 1.0833235184135812
Energy: 1.060569842181237
Energy: 1.1193014556876417
Energy: 1.0199086534359543
Energy: 1.0555226101887796
Energy: 1.1064705910239578
Energy: 1.0563089399142753
Energy: 1.015739203006557
Energy: 1.040593701135024
Energy: 1.0754837566938271
Energy: 1.0323215085687842
Energy: 1.081524643593462
Energy: 1.1000171008624446
Energy: 1.0046029870550939
Energy: 1.0970614810142005
Energy: 1.0914627333099605
Energy: 1.1764678362432779
Energy: 1.0198811609390843
Energy: 1.007259842647244
Energy: 0.9966924249072645
Energy: 1.1635165097150133
Energy: 1.1032394261422187
Energy: 1.029377149992106
Energy: 1.055113320645809
Energy: 0.9414187762168493
Energy: 0.9971708868788456
Energy: 1.0943407370968505
Energy: 0.9794327162991576
Energy: 0.987367160149731
Energy: 1.1446991611725013
Energy: 1.1226135178205054
Energy: 1.0955923532452962
Energy: 1.1276175509211719
Energy: 1.0629389821091362
Energy: 0.9797494736686723
Energy: 0.9862686731546578
Energy: 1.053826995865921
Energy: 1.0543479857131093
Energy: 1.1008282101039768
Energy: 1.031543675326693
Energy: 0.9528586525485027
Energy: 1.0108607069739892
Energy: 1.007491467335418
Energy: 1.0713008277695282
Energy: 1.0694704767863341
Energy: 0.9737776076562216
Energy: 0.9434486644019012
Energy: 1.1496415017125519
Energy: 1.1091701264588343
Energy: 1.0712554496967435
Energy: 1.0926816192344555
Energy: 1.090020212351723
Energy: 0.9992733095139603
Energy: 0.9927592368972858
Energy: 0.997267383522027
Energy: 1.116272447203198
Energy: 1.104758701887564
Energy: 1.0398720511795359
Energy: 1.0341317473464857
Energy: 1.0589420941270995
Energy: 1.033699209878358
Energy: 1.0315193863271237
Energy: 1.0588007678209064
Energy: 1.0193570145018038
Energy: 1.0386377772838526
Energy: 1.0680919307807568
Energy: 1.0078203049319643
Energy: 1.1487556842424365
Energy: 1.0528214216946328
Energy: 1.0312098247577814
Energy: 0.9785309001793916
Energy: 1.0831264811089312
Energy: 1.1005137325393688
Energy: 1.0750033311423872
Energy: 1.0927188074113727
Energy: 1.060428068856084
Energy: 1.0726660787247082
Energy: 1.1129032778416468
Energy: 1.0553446152658033
Energy: 1.1071179768050294
Energy: 1.0849984877998953
Energy: 1.165733001525382
Energy: 1.0755909920145135
Energy: 1.1404326422657636
Energy: 1.135996301717128
Energy: 1.1176743944093284
Energy: 1.0947702388614906
Energy: 1.0520240159062535
Energy: 1.1115372995342512
Energy: 1.0951663022570413
Energy: 1.1228730620992615
Energy: 1.0641254512403902
Energy: 1.1092085668161713
Energy: 1.0683171113383436
Energy: 1.0731885988641063
Energy: 1.1846254629205912
Energy: 1.188394572732259
Energy: 1.2025369698902206
Energy: 1.1219991734646055
Energy: 1.1017982349488145
Energy: 1.2082404212926472
Energy: 1.1077699843830897
Energy: 1.273713598077868
Energy: 1.0912212846251241
Energy: 1.208039943666833
Energy: 1.1454206134593299
Energy: 1.120304217764907
Energy: 1.2776837773320036
Energy: 1.1636220746557508
Energy: 1.1805936346878314
Energy: 1.1155607779009438
Energy: 1.1580833397259351
Energy: 1.0725883879910432
Energy: 1.084749225200768
Energy: 1.079823867060385
Energy: 1.1513223033443325
Energy: 1.1620975950859098
Energy: 1.1197918200999566
Energy: 1.1136462542906589
Energy: 1.047395500386102
Energy: 1.0780257986539434
Energy: 1.122948960370016
Energy: 1.0951665233993118
Energy: 1.1668291734618996
Energy: 1.1468995590192725
Energy: 1.1688532085823617
Energy: 1.1515176455576657
Energy: 1.1007081241090522
Energy: 1.2183955459361635
Energy: 1.0872900790419562
Energy: 1.175690697376486
Energy: 1.0781071085739604
Energy: 1.1411236546086772
Energy: 1.2108160450363925
Energy: 1.1010670592513023
Energy: 1.2651054805740232
Energy: 1.0559544459605466
Energy: 1.179174403940648
Energy: 1.1468521525192206
Energy: 1.1476923469733284
Energy: 1.0632078605802167
Energy: 1.1456515305860335
Energy: 1.0699007821524853
Energy: 1.1064503859398211
Energy: 1.2161028041639923
Energy: 1.1030517026991575
Energy: 1.1888487736971758
Energy: 1.176597115018763
Energy: 1.1264374238705517
Energy: 1.1839817899506173
Energy: 1.0368454320663287
Energy: 1.1976277214130546
Energy: 1.1045186777437959
Energy: 1.1193957136877593
Energy: 1.0960455674378577
Energy: 1.0942325639708415
Energy: 1.1190825472550672
Energy: 1.0189276889777756
Energy: 1.054845638400338
Energy: 1.0521583576329745
Energy: 1.0451588839673123
Energy: 1.017631308503006
Energy: 1.0324244219060785
Energy: 1.1463975647102358
Energy: 1.0463855548504817
Energy: 1.0938047371792332
Energy: 1.1391461724839518
Energy: 1.088290474724294
Energy: 1.08545011016815
Energy: 1.0940342917357324
Energy: 1.1179229778238857
Energy: 1.0265465236859657
Energy: 1.005044580833638
Energy: 1.0008354414071214
Energy: 1.1646662514470565
Energy: 1.1028866249069023
Energy: 0.9719927095922434
Energy: 1.0557649559461557
Energy: 0.9465170302424598
Energy: 0.9984724551100467
Energy: 1.093081868098883
Energy: 0.981595774500383
Energy: 1.0993767995672807
Energy: 1.1449257943719213
Energy: 1.1309731569106736
Energy: 1.0343179292458982
Energy: 1.1251958859522524
Energy: 1.0223120406658133
Energy: 0.9873282421578341
Energy: 0.9954274893819395
Energy: 1.0989743432777774
Energy: 1.008463245702888
Energy: 1.097941935543581
Energy: 1.0343426487832497
Energy: 0.9873560998223208
Energy: 1.010852184947244
Energy: 1.0184704184905775
Energy: 1.083046759092352
Energy: 1.0700748604293024
Energy: 0.9700161312047525
Energy: 1.010817063369882
Energy: 1.139947525797945
Energy: 1.0184558085057531
Energy: 1.1016223157839256
Energy: 1.0943642354494154
Energy: 1.0829524977671172
Energy: 1.0472650051374692
Energy: 0.9913443651508272
Energy: 1.018239411751415
Energy: 1.1166671874706795
Energy: 1.1047129421142827
Energy: 1.0415994942878308
Energy: 1.0345953915193706
Energy: 1.054672660269967
Energy: 1.070230014233777
Energy: 1.1316712420155155
Energy: 1.0550425470644982
Energy: 1.0234990278972873
Energy: 1.1053967697920855
Energy: 1.068486163945309
Energy: 0.9692618372933416
Energy: 1.1502763413569022
Energy: 1.0921340764186955
Energy: 0.9817722838056004
Energy: 0.9786952504090609
Energy: 1.012802896321603
Energy: 1.0301782643014767
Energy: 1.089654348461996
Energy: 1.0936597303373283
Energy: 1.0511989574307277
Energy: 1.0742593941428138
Energy: 1.117250476793162
Energy: 1.0550464841693585
Energy: 1.108125638995601
Energy: 1.0874884828644218
Energy: 1.0750510842509269
Energy: 1.0723065273929695
Energy: 1.0465949153646052
Energy: 1.1340073289093533
Energy: 1.069426232404832
Energy: 1.0662984686988923
Energy: 1.0507815389748847
Energy: 1.1118502077531636
Energy: 1.095287522655774
Energy: 1.1205725528367692
Energy: 1.1038608298542945
Energy: 1.1224903040829486
Energy: 1.0739627848398798
Energy: 1.1608959014581541
Energy: 1.182286570652098
Energy: 1.0585521355898633
Energy: 1.2118920139252243
Energy: 1.1936624137237795
Energy: 1.1411077554180786
Energy: 1.20441471147041
Energy: 1.1125336270742665
Energy: 1.22664002491328
Energy: 1.1174360821672793
Energy: 1.0548570068951417
Energy: 1.0896741218939046
Energy: 1.1271171084173728
Energy: 1.157146318664958
Energy: 1.1063035992594958
Energy: 1.1838499564655907
Energy: 1.0560435338688925
Energy: 1.1370392800600702
Energy: 1.0470026165495243
Energy: 1.0833689839451053
Energy: 1.0848357153233015
Energy: 1.1560706984959426
Energy: 1.1608198178853186
Energy: 1.1167498524330353
Energy: 1.1310715090590904
Energy: 1.0731831109227616
Energy: 1.091961915217541
Energy: 1.1205993690030323
Energy: 1.0661286200869198
Energy: 1.163196037095236
Energy: 1.148460082311796
Energy: 1.1688856678384922
Energy: 1.165990235087786
Energy: 1.129657358405839
Energy: 1.2179789890926047

minimum gb energy = 0.9414187762168493 eV
minimum distance =  2.48475282312209 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.0331669281929419
Energy: 1.16334732329839
Energy: 0.9875554262635177
Energy: 0.9919024205896584
Energy: 0.995260522348169
Energy: 0.9872661863857444
Energy: 0.9864621638676566
Energy: 0.9997136349174689
Energy: 1.1415152169943406
Energy: 0.9559152818125947
Energy: 0.9689220393384502
Energy: 0.952237044856905
Energy: 0.9544195058754449
Energy: 1.1387442326334725
Energy: 1.0072031146567253
Energy: 1.1528751754002478
Energy: 0.9563234564665762
Energy: 0.9721036709363677
Energy: 0.9688667262822079
Energy: 0.9556383025624292
Energy: 0.9732954241408837
Energy: 1.0074423348882025
Energy: 1.1727347636176015
Energy: 0.9529713650109485
Energy: 0.985646782168574
Energy: 0.9899434926923557
Energy: 0.9525133310574958
Energy: 0.9765248303091411
Energy: 1.025123999199623
Energy: 1.1423773424759518
Energy: 0.9248917045466855
Energy: 1.1541681499419105
Energy: 0.9527777556258586
Energy: 0.927097787506809
Energy: 1.1368916968325915
Energy: 1.0107363325838845
Energy: 1.176500706176688
Energy: 0.9696904248426458
Energy: 0.9908814250045718
Energy: 0.9937171786489382
Energy: 0.9705743677848399
Energy: 0.9842394646273437
Energy: 1.0070081780098656
Energy: 1.1454881852708474
Energy: 0.9559249908739813
Energy: 0.9682657888875434
Energy: 0.9519299969566292
Energy: 0.9537382425871527
Energy: 1.1438735219539131
Energy: 1.0069097074008584
Energy: 1.13961092749322
Energy: 0.9570788599366731
Energy: 0.9711288893950817
Energy: 0.9688638836517168
Energy: 0.9561505738382462
Energy: 1.1535433593406705
Energy: 1.0099517452706726
Energy: 1.1760416628646047
Energy: 0.9532635439031293
Energy: 0.9881517739747733
Energy: 0.9922711600483867
Energy: 0.970126213446778
Energy: 0.9800729710749887
Energy: 1.0358583259217
Energy: 1.1408716963762007
Energy: 0.9324424979600933
Energy: 1.1444107573214655
Energy: 1.1493993776919138
Energy: 0.9274807204935296
Energy: 1.1366684771649171
Energy: 1.009526355360333
Energy: 1.173977270651631
Energy: 0.9531481295124634
Energy: 0.9874534756132182
Energy: 0.990897259306124
Energy: 0.9528323342527981
Energy: 0.9802886146379834
Energy: 1.006932262999553
Energy: 1.1427766575327742
Energy: 0.9561611958043957
Energy: 0.9715596589962779
Energy: 0.9729540818181238
Energy: 0.9558331876106017
Energy: 1.1414864152609583
Energy: 1.0068879208536763
Energy: 1.1436271595962668
Energy: 0.9557814492700348
Energy: 0.971659337003154
Energy: 0.951550439986471
Energy: 0.9550273917704407
Energy: 1.1415618629014237
Energy: 1.0115830897342641
Energy: 1.1790000632573676
Energy: 0.9726440144930706
Energy: 0.9918327249531544
Energy: 0.9928104965126988
Energy: 0.9742463034249054
Energy: 0.9852429827408896
Energy: 1.0238832764198704
Energy: 1.140759409647075
Energy: 0.9275174385870669
Energy: 0.9691311550473629
Energy: 0.9518159239892479
Energy: 0.9554165399980998
Energy: 1.1362270692717007
Energy: 1.0078064080784712
Energy: 1.1571469243244097
Energy: 0.9539753010441551
Energy: 0.9844387539172088
Energy: 0.9736266967739587
Energy: 0.9520972386518166
Energy: 0.9758058902631391
Energy: 1.0064818675735343
Energy: 1.1561116247211125
Energy: 0.9566041613760273
Energy: 0.983553899254286
Energy: 0.9738959122434214
Energy: 0.9533743028501847
Energy: 0.9755268613533935
Energy: 1.024471364506479
Energy: 1.1410736943964725
Energy: 0.9537123994663456
Energy: 0.9680717427519667
Energy: 0.9517643172783383
Energy: 0.9540037419048852
Energy: 1.138141686575523
Energy: 1.010854428615592
Energy: 1.1718362163327967
Energy: 0.9767205951733222
Energy: 0.9911101187397611
Energy: 0.9944065221761029
Energy: 1.0069183830435322
Energy: 0.9859896224213855
Energy: 0.9983963974594833
Energy: 1.141783546667331
Energy: 0.954723235931917
Energy: 0.9682601712036522
Energy: 0.9515581498765106
Energy: 0.9544938032250637
Energy: 1.1407202406550037

minimum gb energy = 0.9248917045466855 eV
minimum distance =  2.54759419702699 Angstroms
sigma value = 23