Model name: model_name=SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.166686400771141
cohesive_energy=6.879122063701007
mass=95.95
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=[9.809422572263039e-20, 2.5556960359587597e-19, 3.90804526741914e-19, 5.00883674557518e-19, 5.92393595185062e-19, 6.698860724417399e-19, 7.36107237078228e-19, 7.92897990046992e-19, 8.41665042432684e-19, 8.83585994061294e-19, 9.19679829272046e-19, 9.508229386837378e-19, 9.7776033443118e-19, 1.001110456695096e-18, 1.0213699802320259e-18, 1.03892342743413e-18, 1.054062394448796e-18, 1.066998368591712e-18, 1.0778723414066698e-18, 1.0867804434917099e-18, 1.093692233490786e-18, 1.098437880680694e-18, 1.101180807078102e-18, 1.102070015109972e-18, 1.101108709129572e-18, 1.0979604320437619e-18, 1.092117293859564e-18, 1.082877541211286e-18, 1.069287879001698e-18, 1.050071372453502e-18, 1.02355855351407e-18, 9.87631344673254e-19, 9.396781980176339e-19, 8.765924930538839e-19, 7.94810988947988e-19, 6.90435589949424e-19, 5.59387154348028e-19, 3.9760897090651196e-19, 1.9940850604427399e-19, -4.4097829021225797e-20, -3.45265860273732e-19, -7.247542134497039e-19, -1.214579664879354e-18, -1.8632833600429798e-18, -2.7435352245289196e-18, -3.95966739856662e-18, -5.65906411071774e-18, -8.07556304071458e-18, -1.163987733307536e-17, -1.70723135589138e-17, -2.6662141801720798e-17, -4.6183702781030395e-17, -9.163873562891761e-17, -2.2039701994967396e-16]
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: 6.87704751902673 eV

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

Energy: 0.021171722913341184
Energy: 1.8182960255527605
Energy: 1.8181858873732772
Energy: 0.021171898974617694
Energy: 0.021171836148880754
Energy: 1.8173709211474343
Energy: 0.021171784801769036
Energy: 0.22559988100562928
Energy: 0.313783821904543
Energy: 0.22560008052829356
Energy: 0.22560103503596393
Energy: 0.31378321524024644
Energy: 0.31378387543482855
Energy: 0.2255994300603324
Energy: 0.225600281744269
Energy: 0.3137835961291045
Energy: 0.3137830458836219
Energy: 0.22560030260506897
Energy: 0.3137832951909318
Energy: 0.31378363948168897
Energy: 0.22559997120572284
Energy: 0.2255997647380357
Energy: 0.3137827137341318
Energy: 0.3137829730873337
Energy: 0.2256009710465993
Energy: 0.3137852883891606
Energy: 0.31378316271022694
Energy: 0.31378468051881997
Energy: 0.22560000011062206
Energy: 0.3137839323911123
Energy: 0.313783174055115
Energy: 0.2256001492864036
Energy: 0.31378347231443016
Energy: 0.31378308013611417
Energy: 0.22560018664143344
Energy: 0.021171910034457068
Energy: 0.31378370465136607
Energy: 0.31378387276216296
Energy: 0.02117175442112703
Energy: 0.02117175528342914
Energy: 0.31378366960601706
Energy: 0.22560021927892146

minimum gb energy = 0.021171722913341184 eV
minimum distance =  2.70659354505198 Angstroms
sigma value = 5


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

Energy: 3.5438958819316397
Energy: 2.47389446623966
Energy: 2.3938631419643785
Energy: 1.9898264248798097
Energy: 2.1691343299914427
Energy: 2.454972616868615
Energy: 2.58800642664862
Energy: 2.1076728651093153
Energy: 2.1987470237695796
Energy: 2.18199868633807
Energy: 2.1588515533898343
Energy: 2.134346505618418
Energy: 2.2470227610737257
Energy: 2.1520874935816763
Energy: 2.0989587259634046
Energy: 2.128041915820024
Energy: 2.132793251802119
Energy: 2.095180895688973
Energy: 2.188081382934529
Energy: 2.109869158956835
Energy: 2.0846178314379142
Energy: 2.0806809506038793
Energy: 2.128043204420647
Energy: 2.084605728007302
Energy: 2.080658395732517
Energy: 2.13461596354419
Energy: 2.128043850292724
Energy: 2.0846395478970914
Energy: 2.0806659694480487
Energy: 2.1100580580348542
Energy: 2.084607874710775
Energy: 2.0806569374740347
Energy: 2.080697301736806
Energy: 2.1607363732064346
Energy: 2.0846217179384308
Energy: 2.1280362254220777
Energy: 2.080672582818119
Energy: 2.084617621920533
Energy: 2.137515173249765
Energy: 2.1500080487048185
Energy: 2.080674300254953
Energy: 2.0846009079203323
Energy: 2.128049893146836
Energy: 2.0826006066995757
Energy: 2.084619545998069
Energy: 2.1098745576002145
Energy: 2.134905515220273
Energy: 2.082591511071549
Energy: 2.0846102878959067
Energy: 2.1280391503221554
Energy: 2.1038161110394356
Energy: 2.121710218576929
Energy: 2.1098648990344344
Energy: 2.191123797888709
Energy: 2.121711491658476
Energy: 2.0846190929647688
Energy: 2.190953656136069
Energy: 2.126890094823391
Energy: 2.1775847784917532
Energy: 2.1758857492180645
Energy: 2.173823073500985
Energy: 2.126901506270927
Energy: 2.2333798172169397
Energy: 2.0700621303899047
Energy: 2.165817043363447
Energy: 1.992874643395664
Energy: 2.118048979050681
Energy: 2.038269849262198
Energy: 1.9898402658762502
Energy: 2.1259960029272467
Energy: 2.128030323881208
Energy: 2.10380187562365
Energy: 2.1520885019585076
Energy: 2.2281796865628354
Energy: 2.1343448520507753
Energy: 2.1520929391448758
Energy: 2.196947169853365
Energy: 2.128054556776111
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Energy: 2.084614608444241
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Energy: 2.1349097790672684
Energy: 2.122529782044313
Energy: 2.0846063811309397
Energy: 2.128034787005733
Energy: 2.0825705049553997
Energy: 2.112200721760925
Energy: 2.1375179855638864
Energy: 2.1500117439881143
Energy: 2.0826340060166837
Energy: 2.112212002609201
Energy: 2.254467072458258
Energy: 2.167263300123938
Energy: 2.208716757950414
Energy: 2.2415129547757116
Energy: 2.1733330535029665
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Energy: 2.2117569257754583
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Energy: 2.0317075664818214
Energy: 2.0554926492507803
Energy: 2.03067677378284
Energy: 2.039501131033945
Energy: 2.033882811524753
Energy: 2.055502765407959
Energy: 2.0306767368757335
Energy: 2.0316879971603874
Energy: 2.098495411511972
Energy: 2.0564261207876404
Energy: 2.0376294718132315
Energy: 2.0316823071768524
Energy: 2.0554784796365864
Energy: 2.1357642610947107
Energy: 2.0316979247539457
Energy: 2.139343036744641
Energy: 2.155300558771927
Energy: 2.0592756808354933
Energy: 2.1093689804836915
Energy: 2.0554852433284707
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Energy: 2.4131799065411883
Energy: 2.2036725638977894
Energy: 1.9929828612107663
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Energy: 2.0315594591001753
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Energy: 2.099998797694319
Energy: 2.241116637012647
Energy: 2.1882236950179577
Energy: 2.1776833226722148
Energy: 2.227962092497142
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Energy: 2.1694484799840126
Energy: 2.2032828249568235
Energy: 2.1557522604582666
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Energy: 2.063165576143576
Energy: 2.0631666002666202
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Energy: 2.0400614811444817
Energy: 2.14313036146133
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Energy: 2.040065918155533
Energy: 2.037618574770045
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Energy: 2.0554812502185773
Energy: 2.010630355185312
Energy: 2.03962465085302
Energy: 2.045787716199533
Energy: 2.0086680889845745
Energy: 2.0533267006873452
Energy: 2.0618450226097376
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Energy: 2.007490171406472
Energy: 2.0396400395766143
Energy: 2.008939862909087
Energy: 2.004150809938301
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Energy: 2.0089521646729525
Energy: 2.0074990641511183
Energy: 2.0645512654684905
Energy: 2.0174273006194556
Energy: 2.017424792694254
Energy: 2.053621011406139
Energy: 2.0773340510204137
Energy: 2.0230645055910927
Energy: 2.2629919591097636
Energy: 2.2756471015079365
Energy: 2.182749758911646
Energy: 2.1438257764021107
Energy: 2.251741998455782
Energy: 2.2129611183945466
Energy: 2.203499404055387
Energy: 2.221473613454619
Energy: 2.5649570523093286
Energy: 2.189516150078247
Energy: 2.221450114836676
Energy: 2.2448357566332287
Energy: 2.196930012326557
Energy: 2.1896189814976683
Energy: 2.2189578997538963
Energy: 2.250288565347752
Energy: 2.1636484645033502
Energy: 2.2227442678027236
Energy: 2.1551521330562973
Energy: 2.2428494277535043
Energy: 2.203509068466277
Energy: 2.227753923382701
Energy: 2.218945910379541
Energy: 2.1527366810482444
Energy: 2.255679460197026
Energy: 2.155151906716957
Energy: 2.263810770031843
Energy: 2.163648671371189
Energy: 2.5649359496681217
Energy: 2.2214661186014744
Energy: 2.2214817914017058
Energy: 2.193906211619602
Energy: 2.1944270675033746
Energy: 2.2214869775394863
Energy: 2.2295588398298984
Energy: 2.21895411992262
Energy: 2.156826043401737
Energy: 2.1797101650091757
Energy: 2.212964724743022
Energy: 2.2517545766582865
Energy: 2.079302887384804
Energy: 2.212950600371214
Energy: 2.0645519409643693
Energy: 2.0074866790783057
Energy: 2.0230623859175405
Energy: 2.0773230493679438
Energy: 2.049292527282802
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Energy: 2.0396413451784996
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Energy: 2.0074799500025198
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Energy: 2.0396340110582787
Energy: 2.0106427479518554
Energy: 2.018741534270959
Energy: 2.061834974955657
Energy: 2.0533216387300017
Energy: 2.0074804752960955
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Energy: 2.1431315048560053
Energy: 2.040081573341
Energy: 2.0554935826859047
Energy: 2.3138596997287575
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Energy: 2.0858293907212606
Energy: 2.031699878897453
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Energy: 2.0858339254526994
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Energy: 2.037622337544325
Energy: 2.0400740614586903
Energy: 2.0858271907429953
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Energy: 2.1734015376552933
Energy: 2.242081539777827
Energy: 2.2506006292905396
Energy: 2.1776814023519293
Energy: 2.1557573154270617
Energy: 2.1856830015664617
Energy: 2.057778409121781
Energy: 2.170699134369265
Energy: 2.180596481166905
Energy: 2.2503337456453427
Energy: 2.22804223544591
Energy: 2.1881952987734716
Energy: 2.254746615726063
Energy: 2.237970039507773
Energy: 2.1309312682520143
Energy: 1.9929839555580449
Energy: 2.0441623226395698
Energy: 2.054132317704093
Energy: 1.9929845515579596
Energy: 2.132962893342468
Energy: 2.031702381595177
Energy: 2.06021539505379
Energy: 2.1557275595966576
Energy: 2.1393397856134837
Energy: 2.059267293785365
Energy: 2.1552995908323154
Energy: 2.106613918004261
Energy: 2.031699509575482
Energy: 2.0306708763418095
Energy: 2.055476618376411
Energy: 2.064805302437186
Energy: 2.037614025388143
Energy: 2.0747050387012034
Energy: 2.0555013710586008
Energy: 2.0317153758958995
Energy: 2.0306722361388476
Energy: 2.055502077142272
Energy: 2.033875733901452
Energy: 2.0338991415804224
Energy: 2.030700443803768
Energy: 2.055484694248303
Energy: 2.2592734693560206
Energy: 2.1476016990265565
Energy: 2.241491731974256
Energy: 2.2098162328441333
Energy: 2.1733121197666034
Energy: 2.2416152736833963
Energy: 2.213495918824239
Energy: 2.082648759219518
Energy: 2.128052825505608
Energy: 2.3005478651534728
Energy: 2.0806452935273616
Energy: 2.0826077902549733
Energy: 2.1280709095028363
Energy: 2.084621959462157
Energy: 2.0826350259561073
Energy: 2.128045505434235
Energy: 2.120574091318488
Energy: 2.0955492704040664
Energy: 2.134917807063106
Energy: 2.1375630546820434
Energy: 2.084614200784868
Energy: 2.1038242671164604
Energy: 2.1100327408013273
Energy: 2.2281752508307506
Energy: 2.1520935886069306
Energy: 2.134347697144188
Energy: 2.2281658300433334
Energy: 2.1424474814409726
Energy: 2.215035790904887
Energy: 2.070059831081654
Energy: 2.0808178160241555
Energy: 1.989823963065607
Energy: 1.9898268946115718
Energy: 2.236508572299842
Energy: 2.040490959629136

minimum gb energy = 1.989823963065607 eV
minimum distance =  2.40260124481624 Angstroms
sigma value = 401


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

Energy: 2.2996073040275373
Energy: 2.2037669707491556
Energy: 2.199580202186867
Energy: 2.2906826721640234
Energy: 2.2906738993861953
Energy: 2.211942763271661
Energy: 2.3638766338893458
Energy: 2.211504365962424
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Energy: 2.2006559883612744
Energy: 2.2081037290272145
Energy: 2.180779023436107
Energy: 2.200658057137078
Energy: 2.2005356770510622
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Energy: 2.31162040835038
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Energy: 2.1889821574709143
Energy: 2.234450898685433
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Energy: 2.0787394267145194
Energy: 2.1768380335179427
Energy: 2.0787129594286218
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Energy: 2.071596622675576
Energy: 2.071592130915238
Energy: 2.177275873944154
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Energy: 2.0715944562474733
Energy: 2.07166812414343
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Energy: 2.0715818962243664
Energy: 2.071624229873363
Energy: 2.2051574347717975
Energy: 2.078305191572484
Energy: 2.071587074676354
Energy: 2.0917850910680613
Energy: 2.1367964019486587
Energy: 2.071620208338943
Energy: 2.071613472563381
Energy: 2.136796835071062
Energy: 2.0782837249546446
Energy: 2.071600528528045
Energy: 2.0716325658400314
Energy: 2.113119918058648
Energy: 2.0716282651883597
Energy: 2.071632837751378
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Energy: 2.1130613563346867
Energy: 2.078906146180251
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Energy: 2.113138748769613
Energy: 2.0789161134865006
Energy: 2.0789006351277854
Energy: 2.1131343673137803
Energy: 2.1131011691286794
Energy: 2.171499870557419
Energy: 2.2255282070654676
Energy: 2.206931439051606
Energy: 2.286471319167916
Energy: 2.1583484524927226
Energy: 2.2069402059282797
Energy: 2.2069213792411433
Energy: 2.341489046003011
Energy: 2.207699349595136
Energy: 2.201099758869822
Energy: 2.2622335970524965
Energy: 2.366499482209464
Energy: 2.2010157870104026
Energy: 2.201525805344617
Energy: 2.3414482397706
Energy: 2.207697170738262
Energy: 2.2176588169172886
Energy: 2.262115016518858
Energy: 2.3664904540302287
Energy: 2.2076938640604014
Energy: 2.2015126023327274
Energy: 2.341455075195238
Energy: 2.198473820202738
Energy: 2.244385301687846
Energy: 2.242591106618931
Energy: 2.22425645565137
Energy: 2.244388005506045
Energy: 2.2708215574149135
Energy: 2.129998968805264
Energy: 2.1066167685431516
Energy: 2.120674328455439
Energy: 2.1846514332955085
Energy: 2.1066005742487857
Energy: 2.1207063516422333
Energy: 2.1552354321493516
Energy: 2.387855314412114
Energy: 2.1263325618489977
Energy: 2.2443655059019636
Energy: 2.3056721270777643
Energy: 2.1325594880098118
Energy: 2.244383961603474
Energy: 2.2609470440386987
Energy: 2.3414612907857966
Energy: 2.2076944086415122
Energy: 2.2076853105095045
Energy: 2.268332522604754
Energy: 2.3664939251361847
Energy: 2.207691927340007
Energy: 2.2176435796041134
Energy: 2.5535337541539835
Energy: 2.402837837451739
Energy: 2.1908585030527163
Energy: 2.27404561206598
Energy: 2.566767410291716
Energy: 2.190875547067553
Energy: 2.1908893267158547
Energy: 2.3836235519331392
Energy: 2.2076951958145297
Energy: 2.217660602163466
Energy: 2.260210189464739
Energy: 2.1263456836854564
Energy: 2.2077096639209937
Energy: 2.1908549862177455
Energy: 2.129986916347613
Energy: 2.1263303113935255
Energy: 2.169366324827664
Energy: 2.1299717087799372
Energy: 2.1325790659183483
Energy: 2.1263394917217293
Energy: 2.165015061240824
Energy: 2.1299591515125176
Energy: 2.121649995242623
Energy: 2.1492891561395218
Energy: 2.12996708419549
Energy: 2.1269254067668713
Energy: 2.12166973000603
Energy: 2.1492946537700934
Energy: 2.129961250504139
Energy: 2.1342747456091424
Energy: 2.1216574896024554
Energy: 2.1299619115537523
Energy: 2.140800533996122
Energy: 2.121645601126027
Energy: 2.1493038090844494
Energy: 2.194544513008945
Energy: 2.253670070477779
Energy: 2.33151628137422
Energy: 2.1945149282673952
Energy: 2.194553948578466
Energy: 2.2753984421133313
Energy: 2.2426247893120252
Energy: 2.194544523663469
Energy: 2.1176601721436143
Energy: 2.253796956901051
Energy: 2.1945131610259425
Energy: 2.254935050103244
Energy: 2.2494247089647357
Energy: 2.3029875043258645
Energy: 2.2012775684305375
Energy: 2.251349520497807
Energy: 2.2801072222965866
Energy: 2.201310710353279
Energy: 2.2493969417575626
Energy: 2.280108020528799
Energy: 2.209918557969725
Energy: 2.0979763680592747
Energy: 2.139644882320674
Energy: 2.3401557331422413
Energy: 2.0979676984536764
Energy: 2.0979636386358727
Energy: 2.1216428817028237
Energy: 2.2510826117077096

minimum gb energy = 2.0715818962243664 eV
minimum distance =  2.39972788352108 Angstroms
sigma value = 311


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

Energy: 2.438049348491192
Energy: 2.3742171775761776
Energy: 2.4254552863179133
Energy: 2.4235140063907292
Energy: 2.4340281499112684
Energy: 2.360783763882391
Energy: 2.42356163831102
Energy: 2.293229146155945
Energy: 2.2497977763596406
Energy: 2.2954112107467624
Energy: 2.2468986529026953
Energy: 2.2856803132842156
Energy: 2.2576969902527746
Energy: 2.2468932721171493
Energy: 2.252092421787914
Energy: 2.260221828855094
Energy: 2.2155897672509326
Energy: 2.2409534607274995
Energy: 2.260211786892214
Energy: 2.259473594726275
Energy: 2.2469038248937436
Energy: 2.1599566350264254
Energy: 2.1627840410031127
Energy: 2.2155321367139633
Energy: 2.140374296638244
Energy: 2.227709479319799
Energy: 2.162774650053284
Energy: 2.2166857598384446
Energy: 2.2519644734598834
Energy: 2.3560537567563733
Energy: 2.2506648655972104
Energy: 2.2810072014992495
Energy: 2.3185584099323315
Energy: 2.2507475771675662
Energy: 2.254101075456522
Energy: 2.3741867465167257
Energy: 2.4328793539383953
Energy: 2.406876819199385
Energy: 2.285952991635373
Energy: 2.4155895761802118
Energy: 2.4328628452011856
Energy: 2.4183563878895105
Energy: 2.374173678664733
Energy: 2.414756462153971
Energy: 2.417588739186649
Energy: 2.402867475904106
Energy: 2.386755501974146
Energy: 2.4705287864644374
Energy: 2.406926217596253
Energy: 2.257721396807175
Energy: 2.2469667097870247
Energy: 2.4473778016846848
Energy: 2.4028729191893254
Energy: 2.2707887125198023
Energy: 2.350175578769252
Energy: 2.2877830750146795
Energy: 2.2206255302767333
Energy: 2.215636814652889
Energy: 2.3127478347171486
Energy: 2.260208395292091
Energy: 2.2156231061656846
Energy: 2.296673560239884
Energy: 2.2521330065480383
Energy: 2.2206077227883676
Energy: 2.390124374744573
Energy: 2.289396949861987
Energy: 2.220599473924868
Energy: 2.2155678775579486
Energy: 2.3901116293842994
Energy: 2.2893885080025314
Energy: 2.257659388650122
Energy: 2.2469087476585377
Energy: 2.438569439191534
Energy: 2.2788402426272114
Energy: 2.2576708709302107
Energy: 2.2482743412599997
Energy: 2.2725372567061517
Energy: 2.374247542873645
Energy: 2.3901288453581615
Energy: 2.4664743529271673
Energy: 2.4028555318562503
Energy: 2.3607605953002784
Energy: 2.4506851431599914
Energy: 2.43802523057272
Energy: 2.374204752696994
Energy: 2.3914182093892355
Energy: 2.4235305758780705
Energy: 2.303663847896119
Energy: 2.234647903855305
Energy: 2.4235478498941356
Energy: 2.438035898646035
Energy: 2.2550406787746193
Energy: 2.2427613593832225
Energy: 2.2468864213265336
Energy: 2.2602425176531864
Energy: 2.2953873866222665
Energy: 2.2465847138370862
Energy: 2.2589452544867927
Energy: 2.232178279991875
Energy: 2.2156016304803026
Energy: 2.2409154805606124
Energy: 2.260182446688153
Energy: 2.229656225772006
Energy: 2.215685992316013
Energy: 2.2408691878498317
Energy: 2.162791159671462
Energy: 2.2167144464093944
Energy: 2.1599080478742954
Energy: 2.1627632871443248
Energy: 2.162796904264493
Energy: 2.2402214442277106
Energy: 2.160014897088834
Energy: 2.3560223170104426
Energy: 2.248224714274954
Energy: 2.335778759479929
Energy: 2.3187135050367758
Energy: 2.2507364623072283
Energy: 2.315071582060342
Energy: 2.2527196256443354
Energy: 2.4328748447827064
Energy: 2.406880042671685
Energy: 2.3742223084858574
Energy: 2.4158721518595754
Energy: 2.417890909500902
Energy: 2.4183982275161195
Energy: 2.374239172083693
Energy: 2.4145503363421015
Energy: 2.406865486557461
Energy: 2.4028489074097354
Energy: 2.386737495462778
Energy: 2.4538844718755155
Energy: 2.395132059676091
Energy: 2.3742354508174737
Energy: 2.2469903273160723
Energy: 2.287719325663353
Energy: 2.2792157936138744
Energy: 2.2677094183050728
Energy: 2.3541761315229635
Energy: 2.2725296937371366
Energy: 2.257713131719515
Energy: 2.390123024788554
Energy: 2.2893982609639467
Energy: 2.220645118662006
Energy: 2.390114570563713
Energy: 2.2167077472529453
Energy: 2.2893730399839076
Energy: 2.220606859377387
Energy: 2.390114094280526
Energy: 2.310601279610136
Energy: 2.232172183077249
Energy: 2.2155182700041354
Energy: 2.2468812055464245
Energy: 2.3105006072440823
Energy: 2.259455357049511
Energy: 2.2469029072902624
Energy: 2.2876925737881386
Energy: 2.4028443715659353
Energy: 2.374226702363587
Energy: 2.362858587154597
Energy: 2.272539419464704
Energy: 2.2577428372257344
Energy: 2.3913518778181353
Energy: 2.438038227733331
Energy: 2.3742043566202513
Energy: 2.3607476866903787
Energy: 2.4678218090367507
Energy: 2.4339903231964364
Energy: 2.3742304244794745
Energy: 2.39133675271828
Energy: 2.4380459860927055
Energy: 2.4455918708685997
Energy: 2.234673703865008
Energy: 2.1696229375357907
Energy: 2.4533427100383043
Energy: 2.3742816073297077
Energy: 2.2469046411283413
Energy: 2.252104358109862
Energy: 2.260201503886477
Energy: 2.295377078423567
Energy: 2.2469043824915187
Energy: 2.260205613094109
Energy: 2.2550257741234327
Energy: 2.215696354409552
Energy: 2.240911679034183
Energy: 2.2321999897587608
Energy: 2.215528412356136
Energy: 2.246026487580412
Energy: 2.2996124779897427
Energy: 2.23219393977344
Energy: 2.234276035470457
Energy: 2.1599480051338027
Energy: 2.162781720703419
Energy: 2.250781069493669
Energy: 2.280934488991519
Energy: 2.168965234672896
Energy: 2.180346479777535
Energy: 2.2876929071432563
Energy: 2.2473898638302336
Energy: 2.309252539297161
Energy: 2.250814516902046
Energy: 2.3193884158592724
Energy: 2.2527145376396605
Energy: 2.262960642382644
Energy: 2.3950849782287373
Energy: 2.374228049570022
Energy: 2.4147112715871217
Energy: 2.406880019042789
Energy: 2.395040468876191
Energy: 2.37421983215746
Energy: 2.414699816260936
Energy: 2.406891259907741
Energy: 2.374217686620023
Energy: 2.3867321268854518
Energy: 2.45399410910985
Energy: 2.4028943909960794
Energy: 2.374233836374558
Energy: 2.4145515232312613
Energy: 2.2877535486600773
Energy: 2.2577331722838743
Energy: 2.2518064663922917
Energy: 2.3736308131127797
Energy: 2.287421427587067
Energy: 2.257702723178668
Energy: 2.333641827662118
Energy: 2.289380480019587
Energy: 2.2206016455034154
Energy: 2.390100935003037
Energy: 2.2893650927280658
Energy: 2.289415684227089
Energy: 2.220610141537607
Energy: 2.3901320214241952
Energy: 2.252169357809882
Energy: 2.2602536258628936
Energy: 2.2156546124898773
Energy: 2.2482825571988343
Energy: 2.2602031572695624
Energy: 2.2595790092929064
Energy: 2.2469337655493824
Energy: 2.406865386142739
Energy: 2.374231178906426
Energy: 2.3742108035340728
Energy: 2.4473582966141336
Energy: 2.4110663840744877
Energy: 2.3742032296389177
Energy: 2.434723526805342
Energy: 2.438028597452473
Energy: 2.3741999343629105
Energy: 2.390098864776796
Energy: 2.4678648888540766
Energy: 2.4533690848246263
Energy: 2.3607607300063354
Energy: 2.4235282332273793

minimum gb energy = 2.140374296638244 eV
minimum distance =  2.38295089940001 Angstroms
sigma value = 39


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

Energy: 2.6532268147248077
Energy: 2.2622755084115593
Energy: 2.3007077081249987
Energy: 2.27550198970858
Energy: 2.2779612228858697
Energy: 2.270138374277325
Energy: 2.277987326807567
Energy: 2.3217117241286513
Energy: 2.2622276907238335
Energy: 2.2722347933773683
Energy: 2.408014092754362
Energy: 2.321861998001708
Energy: 2.272256822017599
Energy: 2.4080762030240455
Energy: 2.3217521637967984
Energy: 2.3070580437226806
Energy: 2.2084137802247867
Energy: 2.4080937103112756
Energy: 2.3217007557633487
Energy: 2.208510548884825
Energy: 2.3102986521778117
Energy: 2.3102813809134672
Energy: 2.1181131275125993
Energy: 2.3084382084896213
Energy: 2.30849599244665
Energy: 2.1181198497182248
Energy: 2.118145649630415
Energy: 2.3084403695461173
Energy: 2.321503862050814
Energy: 2.2143553610990216
Energy: 2.2143159630641396
Energy: 2.2085159821880938
Energy: 2.2143562098614495
Energy: 2.2143464793247207
Energy: 2.208508873375468
Energy: 2.2726029858621923
Energy: 2.214384993464905
Energy: 2.198862016108832
Energy: 2.1988724250346117
Energy: 2.214357774457648
Energy: 2.1988738851534735
Energy: 2.19885838302587
Energy: 2.204324272119485
Energy: 2.1955234472737164
Energy: 2.1955350305116905
Energy: 2.2766712418349053
Energy: 2.1954853112104846
Energy: 2.1954853770368468
Energy: 2.1989274877683034
Energy: 2.245084781745617
Energy: 2.257039699336407
Energy: 2.2421319728682394
Energy: 2.2043304784783415
Energy: 2.245084420738739
Energy: 2.2544961229200453
Energy: 2.272187967586548
Energy: 2.262267765455906
Energy: 2.2450471592591947
Energy: 2.245080854717879
Energy: 2.2622056187288035
Energy: 2.2450963320707182
Energy: 2.257020012060731
Energy: 2.245086475340042
Energy: 2.262257272679684
Energy: 2.2622938183482155
Energy: 2.2701073794403075
Energy: 2.262264923954923
Energy: 2.2622106281547385
Energy: 2.2701123133005505
Energy: 2.262284113947778
Energy: 2.2622596534520714
Energy: 2.262246010042971
Energy: 2.272280610489727
Energy: 2.2622816721058814
Energy: 2.262235697870051
Energy: 2.272258212053034
Energy: 2.4078755545283315
Energy: 2.2940365760259827
Energy: 2.212073757057305
Energy: 2.2722595557463143
Energy: 2.300438364040584
Energy: 2.262271981192687
Energy: 2.272230412350138
Energy: 2.3103369231721635
Energy: 2.3102939891177257
Energy: 2.21206061529835
Energy: 2.354004824988845
Energy: 2.354156987813386
Energy: 2.212051429156405
Energy: 2.212063398156962
Energy: 2.3964468310002203
Energy: 2.300414169019949
Energy: 2.2621491235958793
Energy: 2.272256837808099
Energy: 2.4080999251237762
Energy: 2.321686731225869
Energy: 2.2722579324762973
Energy: 2.310314123053573
Energy: 2.275521650040545
Energy: 2.262242199512341
Energy: 2.2722532106493416
Energy: 2.4080165979536092
Energy: 2.262273461668481
Energy: 2.270118294746572
Energy: 2.4080549577290835
Energy: 2.2754886799774905
Energy: 2.26228640426568
Energy: 2.3006967810861902
Energy: 2.279062106293925
Energy: 2.278003089453663
Energy: 2.270135594477539
Energy: 2.278002351923013
Energy: 2.321703538525826
Energy: 2.2622956878100537
Energy: 2.272248485050368
Energy: 2.4080099513001105
Energy: 2.3218001466325373
Energy: 2.2722544829624116
Energy: 2.4080071036838304
Energy: 2.321687201343728
Energy: 2.307056655146085
Energy: 2.208417412059061
Energy: 2.408104818553065
Energy: 2.3217043177885306
Energy: 2.208503097800014
Energy: 2.310303089833234
Energy: 2.310268875893518
Energy: 2.118123986255977
Energy: 2.30843265329566
Energy: 2.3084898459634373
Energy: 2.118119968231362
Energy: 2.118134010346104
Energy: 2.3084911819833627
Energy: 2.321570901151515
Energy: 2.2143545079513878
Energy: 2.2142980028369754
Energy: 2.2085219240999887
Energy: 2.2143551567144804
Energy: 2.2143562306029216
Energy: 2.20850082597089
Energy: 2.2725963400037816
Energy: 2.214389281713989
Energy: 2.198877932979724
Energy: 2.1988718661879854
Energy: 2.214367277930531
Energy: 2.198884774917017
Energy: 2.198859667470261
Energy: 2.204324530557205
Energy: 2.195516217748904
Energy: 2.1955210557697087
Energy: 2.2766646344203454
Energy: 2.1955072926450283
Energy: 2.195483220070931
Energy: 2.2762345921078153
Energy: 2.245070021619579
Energy: 2.257075948680502
Energy: 2.2545093322379195
Energy: 2.2043325873929205
Energy: 2.245078801787416
Energy: 2.2545020874218364
Energy: 2.272243521843995
Energy: 2.262305406175998
Energy: 2.245084068271157
Energy: 2.245090845925346
Energy: 2.2622814232293464
Energy: 2.2450842250278593
Energy: 2.2570301676575584
Energy: 2.245077984941927
Energy: 2.2622874108393214
Energy: 2.2622877719737815
Energy: 2.270134891845633
Energy: 2.262228629045207
Energy: 2.2623308538412976
Energy: 2.2701161412882604
Energy: 2.262274052435017
Energy: 2.262280923843611
Energy: 2.26227388930051
Energy: 2.2722896113343554
Energy: 2.262265724590843
Energy: 2.262304594326494
Energy: 2.2722603962948456
Energy: 2.310288755974671
Energy: 2.2940484400197603
Energy: 2.212075336561412
Energy: 2.2722645388628036
Energy: 2.294029051310172
Energy: 2.262274684979852
Energy: 2.2722091024633198
Energy: 2.247662877755304
Energy: 2.300432470443206
Energy: 2.2120602102469116
Energy: 2.3966010259200266
Energy: 2.35416069228704
Energy: 2.2120451482937686
Energy: 2.21208319562089
Energy: 2.3541352837343865
Energy: 2.3004576690495107
Energy: 2.2621453143786248
Energy: 2.27224789323913
Energy: 2.408077905480142
Energy: 2.3216818935046235
Energy: 2.272243236598161
Energy: 2.3103020209043987
Energy: 2.2798533523079736
Energy: 2.2622643820248354
Energy: 2.2722493081486026
Energy: 2.4079993098195884
Energy: 2.262280649207365
Energy: 2.2701295264253973
Energy: 2.4080928135296302

minimum gb energy = 2.1181131275125993 eV
minimum distance =  2.48981046328801 Angstroms
sigma value = 21


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

Energy: 2.954488151179348
Energy: 2.208147725280516
Energy: 2.0142814642008453
Energy: 2.1915230524849267
Energy: 2.173600587466558
Energy: 2.208143779802745
Energy: 2.1735954449219217
Energy: 2.2087880388505896
Energy: 2.117341136327613
Energy: 2.1174159955353824
Energy: 2.237635268549968
Energy: 2.117427147222669
Energy: 2.1173787444326373
Energy: 2.2087972178146935
Energy: 2.208808298268644
Energy: 2.0700498057543673
Energy: 2.1174102374002266
Energy: 2.132184045155107
Energy: 2.1173761790048906
Energy: 2.11738560474989
Energy: 2.1126332181802656
Energy: 2.2088014071905504
Energy: 2.0150002295400196
Energy: 2.015045764680375
Energy: 2.132255233071879
Energy: 2.0149319602942373
Energy: 2.0150261319569363
Energy: 2.117181388327792
Energy: 2.059674480553627
Energy: 2.015048088726982
Energy: 2.1173264670434673
Energy: 2.1322411355957747
Energy: 2.0700649298838716
Energy: 2.0150576852976854
Energy: 2.117353700782331
Energy: 2.059586351119843
Energy: 2.0700972263094934
Energy: 2.117368305135254
Energy: 2.0599709195509552
Energy: 2.074045636192883
Energy: 2.117451997423132
Energy: 2.116004776586758
Energy: 2.005165150501453
Energy: 2.026445165466641
Energy: 2.0046791053463964
Energy: 2.0598701118684515
Energy: 2.026496235165238
Energy: 2.1125197664463347
Energy: 2.030934829811171
Energy: 2.005022355072589
Energy: 2.0051265333669592
Energy: 2.1067411489431542
Energy: 2.004984591410426
Energy: 2.0050817793014235
Energy: 2.0051506183380154
Energy: 2.0002513005175477
Energy: 2.005082269601069
Energy: 2.0051042522050353
Energy: 2.005133814004588
Energy: 2.0051202000523984
Energy: 2.0051471087139987
Energy: 2.005185830836942
Energy: 2.0050428925845605
Energy: 1.9740119916580485
Energy: 1.9740424193246706
Energy: 2.017770692444471
Energy: 1.974139355655246
Energy: 1.974095555623353
Energy: 2.017818718181171
Energy: 1.9742003848099303
Energy: 2.0518247016991897
Energy: 2.0525854187169443
Energy: 2.051813931132464
Energy: 2.0259787407174854
Energy: 2.052355255407005
Energy: 2.052338534682871
Energy: 2.0259607630628733
Energy: 2.0259651276683677
Energy: 2.0523701705420603
Energy: 2.0517885782825287
Energy: 2.0259706547288823
Energy: 2.0525063107013715
Energy: 2.052547595357242
Energy: 2.0259583526505986
Energy: 2.0092923024108433
Energy: 2.017741084935782
Energy: 1.9741187586328004
Energy: 1.9741866733775304
Energy: 2.0177997750746055
Energy: 1.9740541854876708
Energy: 1.9740317155730918
Energy: 2.0376716153179113
Energy: 1.9741516387486273
Energy: 1.9740535604099232
Energy: 1.9741071071459495
Energy: 2.0953382100924864
Energy: 1.9739485553240768
Energy: 1.9740779288290256
Energy: 2.005020660265988
Energy: 2.005174278937254
Energy: 2.005080177051107
Energy: 2.0050390152028483
Energy: 2.005177965963665
Energy: 2.0050295738862633
Energy: 2.005016319436831
Energy: 2.0614895990072655
Energy: 2.0666077569265378
Energy: 2.0264399710978194
Energy: 2.0597388476043346
Energy: 2.1125216771158994
Energy: 2.02651410078783
Energy: 2.0599553323271453
Energy: 2.0615538023364355
Energy: 2.123453255739272
Energy: 2.0264179609749804
Energy: 2.061629158525335
Energy: 2.1125543407507794
Energy: 2.026435971196579
Energy: 2.0598230740020655
Energy: 2.1173492988318205
Energy: 2.11734699320072
Energy: 2.0701038536718888
Energy: 2.1322146437222185
Energy: 2.117418147783598
Energy: 2.0700539232938766
Energy: 2.1322250601522907
Energy: 2.1174139527618205
Energy: 2.015034552937206
Energy: 2.0545281574088206
Energy: 2.1323298844523695
Energy: 2.015063346006492
Energy: 2.015065981328991
Energy: 2.1203339478458987
Energy: 2.117324722308617
Energy: 2.1174401791089736
Energy: 2.1174006091499242
Energy: 2.132315465319803
Energy: 2.1172988460645374
Energy: 2.1174007049489263
Energy: 2.132230016066196
Energy: 2.1174740824753977
Energy: 2.117264255673005
Energy: 2.117257986770388
Energy: 2.2376856338427316
Energy: 2.1173924216048663
Energy: 2.117392841517462
Energy: 2.2376951415195583
Energy: 2.208801132894525
Energy: 2.0149380887661286
Energy: 2.2177877297802713
Energy: 2.217792554832167
Energy: 2.0149792637371093
Energy: 2.1099805343897504
Energy: 2.217772269065438
Energy: 2.2087828175689705
Energy: 2.014942216086904
Energy: 2.217788797860852
Energy: 2.2177850036253286
Energy: 2.014999934207531
Energy: 2.015007155045854
Energy: 2.217772969224463
Energy: 2.2088072545517954
Energy: 2.1174117326808597
Energy: 2.1172123223691366
Energy: 2.2377381561482665
Energy: 2.117365029459739
Energy: 2.1173911257769125
Energy: 2.237654887974132
Energy: 2.239783184332659
Energy: 2.1174830147296486
Energy: 2.1173626246387767
Energy: 2.217792417316403
Energy: 2.2177830640504705
Energy: 2.1174156157518738
Energy: 2.1322776919534387

minimum gb energy = 1.9739485553240768 eV
minimum distance =  2.45484962232248 Angstroms
sigma value = 113


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

Energy: 2.1547511249530293
Energy: 1.9141870210681105
Energy: 1.819779965650209
Energy: 2.068433245900955
Energy: 2.068426172050833
Energy: 1.9060888444979232
Energy: 1.9223565779692655
Energy: 1.9204329905301516
Energy: 1.8789166070332852
Energy: 1.9204462832656888
Energy: 1.918981525937923
Energy: 1.9204170634250364
Energy: 1.9204228212197554
Energy: 1.9512611693013537
Energy: 1.9448830169057953
Energy: 1.878927926468747
Energy: 1.9204558542005585
Energy: 1.951281609291817
Energy: 1.9204630302721195
Energy: 1.9205102641851024
Energy: 1.918975206768624
Energy: 1.9780314066639864
Energy: 1.8487553649223627
Energy: 1.8520035780369892
Energy: 1.8253704340210082
Energy: 1.8363336780385067
Energy: 1.8519960928750059
Energy: 1.9189822550508153
Energy: 1.7914836896208983
Energy: 1.8487699423661246
Energy: 1.9204660428821083
Energy: 1.9189617623086077
Energy: 1.872451569167671
Energy: 1.8520206926940763
Energy: 1.9189732896319227
Energy: 1.8217336076266413
Energy: 1.838732607338477
Energy: 1.8938755640353506
Energy: 1.8977663930623654
Energy: 1.8387639352628107
Energy: 1.8722789208138693
Energy: 1.8982542103413826
Energy: 1.8213342846238973
Energy: 1.9561738308674537
Energy: 1.8509398780902537
Energy: 1.8451360503746381
Energy: 1.8387640329787052
Energy: 1.8387165773562721
Energy: 1.8430743873756776
Energy: 1.821352869474437
Energy: 1.939850810401988
Energy: 1.7898333743798116
Energy: 1.8029380072584849
Energy: 1.821680060528156
Energy: 1.8216824930355282
Energy: 1.7844707752572562
Energy: 1.8220368953367434
Energy: 1.821701357019986
Energy: 1.8452054187450262
Energy: 1.8220313159451351
Energy: 1.8216769603659908
Energy: 1.8314987366435072
Energy: 1.8220994085389388
Energy: 1.7610053631269846
Energy: 1.8078808620074804
Energy: 1.8120453973081034
Energy: 1.8036153048695405
Energy: 1.8036288050210176
Energy: 1.8071890329149483
Energy: 1.7962647612299945
Energy: 1.773571948881507
Energy: 1.8070126730786917
Energy: 1.7847763590585313
Energy: 1.773585612432778
Energy: 1.7735793227607537
Energy: 1.7847633805245564
Energy: 1.8010059768222002
Energy: 1.8008800882332028
Energy: 1.8070040243082772
Energy: 1.7847837470725412
Energy: 1.8009889145452058
Energy: 1.8264385673349863
Energy: 1.7847820762570135
Energy: 1.8009721517503792
Energy: 1.733712636741735
Energy: 1.7844634680434093
Energy: 1.7337566116024818
Energy: 1.7337043532627145
Energy: 1.784514438634974
Energy: 1.7327707664571743
Energy: 1.7336895986893923
Energy: 1.7336318767881496
Energy: 1.7067047490476923
Energy: 1.7327842753150824
Energy: 1.733664627068986
Energy: 1.7844584696604942
Energy: 1.7067022414484616
Energy: 1.733569100812455
Energy: 1.752425034230383
Energy: 1.7638050283835598
Energy: 1.74152024785925
Energy: 1.741524472290374
Energy: 1.7638150113986595
Energy: 1.7414961071555703
Energy: 1.7415208477922495
Energy: 1.718022292717943
Energy: 1.7193340741527918
Energy: 1.7393448083030303
Energy: 1.738934250310257
Energy: 1.7193432627886291
Energy: 1.7406828310297722
Energy: 1.7463642788870457
Energy: 1.718029277675497
Energy: 1.7193363908133217
Energy: 1.7406878517276596
Energy: 1.7475315883396454
Energy: 1.7193455503820214
Energy: 1.7406811195218475
Energy: 1.7472643828204628
Energy: 1.71801958346098
Energy: 1.715348841626609
Energy: 1.7576740374328774
Energy: 1.7180071262481276
Energy: 1.7180071565053403
Energy: 1.7153307743265196
Energy: 1.7180801216302448
Energy: 1.7180567426601854
Energy: 1.7153334827691606
Energy: 1.78646976709532
Energy: 1.7179673736471572
Energy: 1.7153430104603542
Energy: 1.7153426688828861
Energy: 1.7180900946153077
Energy: 1.6968633577378605
Energy: 1.6968391109168175
Energy: 1.7279577021462327
Energy: 1.7210607871178216
Energy: 1.6968465345496822
Energy: 1.7279690689175637
Energy: 1.7210314393792583
Energy: 1.750100710399665
Energy: 1.7477324431178904
Energy: 1.750153723633159
Energy: 1.7366054573015008
Energy: 1.7477027726718573
Energy: 1.747754420405471
Energy: 1.7366368924623308
Energy: 1.7366046781218256
Energy: 1.7477189325145943
Energy: 1.7476971050432561
Energy: 1.736632058694426
Energy: 1.747731693744402
Energy: 1.7477053473872854
Energy: 1.7366033790490718
Energy: 1.7216551369937172
Energy: 1.7279570742108437
Energy: 1.696847986432627
Energy: 1.7210377461299395
Energy: 1.7279283152520095
Energy: 1.6968536576690516
Energy: 1.69685366522293
Energy: 1.7180568081228256
Energy: 1.715362005073637
Energy: 1.7153378153220449
Energy: 1.718040615233476
Energy: 1.7153361865016317
Energy: 1.7153364370736706
Energy: 1.7180064164270163
Energy: 1.7430303011765547
Energy: 1.7153457807829533
Energy: 1.7180492083667385
Energy: 1.7180426953231995
Energy: 1.7576790101559556
Energy: 1.7153255876105664
Energy: 1.7179883641720195
Energy: 1.7472822823237546
Energy: 1.7406921831531323
Energy: 1.719331370123789
Energy: 1.7474246954997734
Energy: 1.740699721050225
Energy: 1.7193280437925065
Energy: 1.7389179108074926
Energy: 1.7393290377954134
Energy: 1.7407057805653008
Energy: 1.7193336837695579
Energy: 1.7474451608326544
Energy: 1.740706505715504
Energy: 1.7193297812566477
Energy: 1.7389228744484622
Energy: 1.7415017402092527
Energy: 1.741496031182625
Energy: 1.7638135481369315
Energy: 1.7415055140726698
Energy: 1.741491585693372
Energy: 1.7638267264411378
Energy: 1.7415123778050285
Energy: 1.7336866723914492
Energy: 1.7327219303857
Energy: 1.7845064291286763
Energy: 1.7336718174047387
Energy: 1.7327777928419978
Energy: 1.7844597700527516
Energy: 1.7336820036560077
Energy: 1.7336670313192897
Energy: 1.7327428541492302
Energy: 1.8072684403842842
Energy: 1.7337246051665405
Energy: 1.7327776903490926
Energy: 1.7844964348307257
Energy: 1.733725454189226
Energy: 1.7847728850907092
Energy: 1.78478010454373
Energy: 1.8264638845917858
Energy: 1.8008673399731483
Energy: 1.7847726987077601
Energy: 1.7917838279540477
Energy: 1.80089832639521
Energy: 1.7847871886744664
Energy: 1.765632600454144
Energy: 1.7735918535413355
Energy: 1.8009018384664006
Energy: 1.784760103900938
Energy: 1.7507287273049017
Energy: 1.773577926373076
Energy: 1.7962124657012903
Energy: 1.8120450365265077
Energy: 1.8036429846905169
Energy: 1.8036438339720595
Energy: 1.8072356054993435
Energy: 1.8078228108846481
Energy: 1.8037384252947541
Energy: 1.8220270893592976
Energy: 1.8217326789313568
Energy: 1.821682205316404
Energy: 1.8221204571187017
Energy: 1.8216887351044706
Energy: 1.8216508461952847
Energy: 1.8219858283905637
Energy: 1.784460192981366
Energy: 1.821692509080606
Energy: 1.8216811079264483
Energy: 1.7844654423495954
Energy: 1.770538746767835
Energy: 1.821675401977321
Energy: 1.822043575984988
Energy: 1.7931504705423373
Energy: 1.8387953349551778
Energy: 1.8387763132499115
Energy: 1.7924633422964633
Energy: 1.9204564238722437
Energy: 1.8387454487712074
Energy: 1.8220306014513763
Energy: 1.8982283979452659
Energy: 1.8387813115659857
Energy: 1.8387975615915508
Energy: 1.8982398162949763
Energy: 1.9204459815829302
Energy: 1.838763152558787
Energy: 1.8703230800603527
Energy: 1.920420997376879
Energy: 1.851867622033337
Energy: 1.8269948860851342
Energy: 1.9189938782818974
Energy: 1.8519866461550274
Energy: 1.872602772674941
Energy: 1.8844959396300764
Energy: 1.9204173281318382
Energy: 1.8095605031564521
Energy: 1.7924822593834293
Energy: 1.9014612290020545
Energy: 1.8519984262676066
Energy: 1.8077864987871304
Energy: 1.9755990910918448
Energy: 1.9204236121290539
Energy: 1.920448953575718
Energy: 1.893466110610582
Energy: 1.9189804724640036
Energy: 1.921884540691198
Energy: 1.872016593563108
Energy: 1.9512611279534582
Energy: 1.9449085199818001
Energy: 1.9290177025809976
Energy: 1.9829353188710535
Energy: 1.918978454609028
Energy: 1.9204517386218893
Energy: 1.9204559392765754
Energy: 1.9829364784415242
Energy: 1.977997943910422
Energy: 1.9289862811039054
Energy: 1.9007199298729098
Energy: 1.8363256132641257
Energy: 1.8363341867668448
Energy: 1.9006684013266741
Energy: 1.9829057538575663
Energy: 1.94490992357677
Energy: 1.9204409814587289
Energy: 1.920475149273104
Energy: 1.9512761545243493
Energy: 1.9204252105670037
Energy: 1.920503811547447
Energy: 1.9189742746325427
Energy: 1.9204336295854663
Energy: 1.9204726968308334
Energy: 1.9204684544232553
Energy: 1.9189950346705047
Energy: 1.9219101461598467
Energy: 1.9204449172604747
Energy: 1.9449084173302231
Energy: 2.0055384521722646
Energy: 1.8095510868690676
Energy: 1.8363377067677429
Energy: 1.9007009266451025
Energy: 1.9006895502237415
Energy: 1.8077863062115824
Energy: 1.98495049135242

minimum gb energy = 1.6968391109168175 eV
minimum distance =  2.46122602262084 Angstroms
sigma value = 365


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

Energy: 2.077793769398165
Energy: 2.0548930652327986
Energy: 2.1801861342869295
Energy: 2.180479619154992
Energy: 2.1804710805738825
Energy: 2.1804709615075653
Energy: 2.18047617749931
Energy: 1.067845922732853
Energy: 0.8428660424509917
Energy: 0.842450776425495
Energy: 0.8424458027738267
Energy: 0.8428864163855999
Energy: 0.842438778662366
Energy: 0.8428770493675379
Energy: 0.8553235695843738
Energy: 0.8428843362828076
Energy: 0.842438349816804
Energy: 0.842879504720119
Energy: 0.8428764090609945
Energy: 0.8424424340809109
Energy: 0.8424429994099534
Energy: 1.6111720553973152
Energy: 1.611153902355277
Energy: 2.1801975802545317
Energy: 2.18044009522912
Energy: 2.1805523570843373
Energy: 2.1804738317823813
Energy: 2.1802571175427006
Energy: 1.6111329780834793
Energy: 1.6100038759545867
Energy: 1.6112373258926957
Energy: 1.6112553593590713
Energy: 2.1805362121436036
Energy: 1.6111842545119186
Energy: 1.6114515761220756
Energy: 0.8553446913796122
Energy: 0.8428828677134328
Energy: 0.8424357369417327
Energy: 0.8424492300128488
Energy: 0.8428802472398339
Energy: 0.8424382222301539
Energy: 0.8424363741226313
Energy: 1.6111472820709045
Energy: 1.6107446090253836
Energy: 2.18044665019836
Energy: 2.1802678677871503
Energy: 2.180457731740228
Energy: 2.1804771326539805
Energy: 1.611286240635063
Energy: 1.6111231997781297
Energy: 1.6105692354127181
Energy: 2.180445541910382
Energy: 2.180473425536704
Energy: 2.180542948460953
Energy: 2.180431954122085
Energy: 1.6112166640086076
Energy: 0.8553174613731198
Energy: 0.8428793430844175
Energy: 0.8424385062396008
Energy: 0.8428918402381852
Energy: 0.8428800953031059
Energy: 0.8424460901857044
Energy: 0.8424386602739063
Energy: 1.6111334947952516
Energy: 1.6093258891573403
Energy: 1.6111043373532121
Energy: 1.6113109609465863
Energy: 1.6114086512853458
Energy: 1.6110980052328985
Energy: 1.6110637794681621
Energy: 1.611440522181158
Energy: 1.6107422940614657
Energy: 2.180464852005544
Energy: 2.180432078115145
Energy: 2.1805119079424604
Energy: 2.1802682395676354
Energy: 2.1804860038175815
Energy: 0.8553593812083219
Energy: 0.8428969009830334
Energy: 0.8424470385938249
Energy: 0.8424472167814399
Energy: 0.8428870279755302
Energy: 0.8424469157540602
Energy: 0.8428710329388942
Energy: 0.8553231112002329
Energy: 0.8428952762224368
Energy: 0.8428582074335822
Energy: 0.8424423511000002
Energy: 0.8428777160765691
Energy: 0.842446839454795
Energy: 0.842442101091654
Energy: 1.6111110976675607
Energy: 1.6111852538420581
Energy: 2.1803022388362536
Energy: 2.180223463673742
Energy: 2.180464668150265
Energy: 2.180442292735674
Energy: 2.1804553165797564
Energy: 1.6101533489041855
Energy: 1.6103144441213353
Energy: 1.6112532468669571
Energy: 0.8424472365061353
Energy: 0.842888210524534
Energy: 0.8424460240486489
Energy: 1.6107628422163844
Energy: 0.8553361203885442
Energy: 0.8428880665723778
Energy: 0.8424422448912674
Energy: 0.8424484242614074
Energy: 0.8428812094846707
Energy: 0.8424481766245988
Energy: 0.8428612417938565
Energy: 1.6112103311586756
Energy: 1.6100888389001542
Energy: 2.1804493789067285
Energy: 2.180468888419589
Energy: 2.1805520382557195
Energy: 2.1804815007712244
Energy: 2.1802697820402916
Energy: 1.6111175657845718
Energy: 1.6088063064306
Energy: 1.6110913760516532
Energy: 2.1801959322801983
Energy: 2.1804883753504605
Energy: 1.6112244136604252
Energy: 1.611244434979979
Energy: 0.8553109669072658
Energy: 0.8428760674140178
Energy: 0.8428902540908855
Energy: 0.842448878413617
Energy: 0.8428800360725922
Energy: 0.842439282711396
Energy: 0.8428684979193817
Energy: 1.6111354724984646
Energy: 1.6101198397405485
Energy: 1.6112327897471777
Energy: 2.1804606993401325
Energy: 2.180432131518902
Energy: 2.1802972166341035
Energy: 1.6099610783024936

minimum gb energy = 0.8424357369417327 eV
minimum distance =  2.63766299712183 Angstroms
sigma value = 23