Model name: model_name=EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6583648324012783
cohesive_energy=4.002359338938538
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.0232253007741979e-19, 1.9428314299210798e-19, 2.53898533366614e-19, 3.0887882673895796e-19, 3.6379182869267398e-19, 4.1531142053557793e-19, 4.60053805216662e-19, 4.97378112082326e-19, 5.27651239581756e-19, 5.516999108580959e-19, 5.709148152296579e-19, 5.8641266981034e-19, 5.989897563872399e-19, 6.09229267255134e-19, 6.17571800988372e-19, 6.24308953734342e-19, 6.2962337362931995e-19, 6.33670471806804e-19, 6.365976485171219e-19, 6.38608380192792e-19, 6.3991735850277e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39374220623844e-19, 6.375269109648419e-19, 6.34735919268414e-19, 6.308906953468139e-19, 6.2599444355331e-19, 6.200615834776079e-19, 6.1308089988327e-19, 6.04855325044314e-19, 5.949570777994619e-19, 5.82825396326814e-19, 5.675486421216239e-19, 5.47124094391392e-19, 5.17930833943278e-19, 4.751975787612299e-19, 4.1413862723948997e-19, 3.3286821747983995e-19, 2.31748441401564e-19, 1.152609074852868e-19, -8.68060902477834e-21, -1.542844828889712e-19, -3.48524687547288e-19, -6.210036633383999e-19]
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: 0.0 eV

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

Energy: 0.015071612387871334
Energy: 0.015611542797590987
Energy: -4.2723380174203
Energy: 0.035223473215623
Energy: 0.015611542797590987
Energy: -3.8442994015481147
Energy: 0.03522347321681384
Energy: -3.860571703467573
Energy: -4.236416840597262
Energy: 0.03522347321681384
Energy: 0.015071612387871334
Energy: 0.015611542797590987
Energy: 0.03522347321623543
Energy: -3.839994304705132
Energy: 0.015611542798203423
Energy: -3.8446260355838833

minimum gb energy = -4.2723380174203 eV
minimum distance =  2.44916830199832 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: -4.816213266951183
Energy: 0.06207384541099281
Energy: -5.091459566922769
Energy: -0.0035761281899684455
Energy: -4.784420998772339
Energy: 0.03348987361662695
Energy: -0.45391976635170106
Energy: 0.03348987361736969
Energy: -0.10138482066014527
Energy: -0.6146108828915642
Energy: 0.08035326617079216
Energy: -0.6146108829160751
Energy: -0.6422074392064279
Energy: 0.13321573481443924
Energy: -0.3741639180740924
Energy: 0.13321573482335225
Energy: 0.13447718127614366
Energy: 0.044509437744723504
Energy: -0.09978922849518948
Energy: 0.04450945563037915
Energy: 0.1394129469107844
Energy: -0.06224570337372372
Energy: -0.017681840066453385
Energy: -0.06240878629353378
Energy: -0.14093534379353895
Energy: 0.4258242839803612
Energy: 0.08379366246466266
Energy: 0.42582428397367644
Energy: 0.08448940221961565
Energy: 0.4447262061324548
Energy: 0.02405722758612907
Energy: 0.4447262061294838
Energy: -0.045562015100414986
Energy: 0.5988842160160635
Energy: -0.0943934604460502
Energy: 0.5988842160168062
Energy: -0.15070841747741728
Energy: -0.16522718851587023
Energy: -0.07458267420604965
Energy: -0.1652271658801845
Energy: -0.04295457005513164
Energy: 0.6163987010806439
Energy: -0.08805207044778914
Energy: 0.6163987010791583
Energy: -0.09925689752181985
Energy: -0.18358182782078286
Energy: -0.14763869800917892
Energy: -0.1835821797249048
Energy: -0.1861163658205546
Energy: -0.5221451287635944
Energy: 0.16441320416858832
Energy: -0.522203619355185
Energy: 0.1584691723890646
Energy: -0.31977928552219276
Energy: 0.19886365555209062
Energy: -0.3197792862802043
Energy: 0.20540375041469175
Energy: 0.22687054148291894
Energy: -0.17768144065971894
Energy: 0.22687054146880664
Energy: 0.11406460299605431
Energy: 0.01433106135578562
Energy: 0.09686245867339895
Energy: 0.014331061341740866
Energy: -0.0960492292598286
Energy: -0.5909780486310796
Energy: 0.15733400289651767
Energy: -0.5909780486229093
Energy: 0.161225888258866
Energy: -0.5666112290643446
Energy: 0.06658345256567783
Energy: -0.5666112312760556
Energy: 0.2082310931429104
Energy: -0.5889105082690601
Energy: -0.09826536844104791
Energy: -0.5889105082705457
Energy: 0.02766187905256687
Energy: -0.6522914485824224
Energy: -0.6415559429161332
Energy: -0.6522914486359004
Energy: -0.11795742722058215
Energy: 0.23767404819198282
Energy: 0.13147529875178326
Energy: 0.2376740481860408
Energy: -0.04293666534879117
Energy: 0.24927588077528381
Energy: 0.13893800959062963
Energy: 0.24927588075894327
Energy: 0.08789592948177953
Energy: 0.4653377759033564
Energy: -0.3326779417377429
Energy: 0.4653377759152404
Energy: -0.09070670360824579
Energy: -0.44346048291090695
Energy: -0.32268311322233634
Energy: -0.4434604825724149
Energy: -0.09733300246029744
Energy: 0.5982176419981388
Energy: -0.060088128520129874
Energy: 0.5982176419988816
Energy: -0.14735435548420175
Energy: -0.2700096064915561
Energy: -0.1392453240120631
Energy: -0.270012409899322
Energy: -0.09643384951506351
Energy: 0.6148857455867005
Energy: -0.04172092903128179
Energy: 0.6148857455874432
Energy: -0.14996309794861062
Energy: -0.21124936403824168
Energy: -0.03708752086306621
Energy: -0.21125636154680633
Energy: 0.1616813406201788
Energy: 0.4112090244921536
Energy: -0.18026457568941356
Energy: 0.4112090245062658
Energy: 0.2218871359543793
Energy: -0.1146281334420238
Energy: 0.16097091643991115
Energy: -0.11463095540365156
Energy: -0.18083972883156663
Energy: 0.22300781342419745
Energy: 0.23928565059649376
Energy: 0.22300781328388494
Energy: 0.15272924836918392
Energy: 0.01459460845846065
Energy: 0.11218859471790703
Energy: 0.014594608461431657
Energy: 0.14107963159247539
Energy: -0.5638154153326008
Energy: -0.5891480566688992
Energy: -0.5638154153333437

minimum gb energy = -5.091459566922769 eV
minimum distance =  2.28999206188756 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: -3.226006896297761
Energy: 0.1583437060802615
Energy: 0.15999625332057055
Energy: -0.201756165638296
Energy: -0.3141783571690041
Energy: 0.16621487562562723
Energy: -0.25087047324592926
Energy: 0.1662148756264741
Energy: -0.0013918220468604266
Energy: -0.18751728923816088
Energy: 0.403144408999457
Energy: -0.18751729754053567
Energy: -0.32225973852557394
Energy: 0.10966884317905029
Energy: -0.23288099510313412
Energy: 0.10966884327470774
Energy: 0.1400913481587788
Energy: 0.3187769936484679
Energy: 0.2202685748790533
Energy: 0.3187769936459658
Energy: -0.16171002994177333
Energy: 0.3506307994098285
Energy: 0.10598738507212856
Energy: 0.35063080000829383
Energy: 0.14171870961191296
Energy: 0.6377919132065188
Energy: 0.20588190111999044
Energy: 0.6377919132039782
Energy: 0.019146030501393147
Energy: 0.4913408745958186
Energy: 0.13083339806592018
Energy: 0.49134087455178155
Energy: 0.026273030631743678
Energy: 0.6778244948412397
Energy: 0.12659415757275244
Energy: 0.6778244948454741
Energy: 0.011454035139963525
Energy: 0.6692378302272158
Energy: 0.08763189241539554
Energy: 0.6692378302306031
Energy: 0.2801211058228945
Energy: 0.5917012500442983
Energy: 0.13713271496639562
Energy: 0.5917012500426045
Energy: 0.2550543859400225
Energy: 0.0840224515707303
Energy: 0.07951319984218179
Energy: 0.08400079726164199
Energy: 0.16475519752783743
Energy: 0.367122150276625
Energy: 0.31120470595212485
Energy: 0.36712215023093264
Energy: -0.18445746911301236
Energy: 0.41517005272109037
Energy: 0.20395086048465633
Energy: 0.4151700527261715
Energy: 0.2341013209996327
Energy: -0.2900865582892165
Energy: 0.0758871800945358
Energy: -0.29008655819609963
Energy: -0.2388287360707687
Energy: -0.3242903836824825
Energy: -0.22845847954634538
Energy: -0.32429180309447525
Energy: 0.09083325574007035
Energy: -0.2508816670634919
Energy: 0.28410162817844825
Energy: -0.2508816670634919
Energy: -0.13766061674675514
Energy: -0.3496766284084919
Energy: 0.1318244361751769
Energy: -0.3496766284084919
Energy: 0.2629710500888948
Energy: 0.37762142947380073
Energy: 0.2048057983494896
Energy: 0.3776214297446827
Energy: -0.2893061392693012
Energy: 0.1607992064888136
Energy: 0.23843791461246763
Energy: 0.16079920548489146
Energy: 0.13551789623984173
Energy: 0.5828439799246262
Energy: 0.16689940747701304
Energy: 0.5828439799229325
Energy: 0.14053557504997008
Energy: 0.10143791925136877
Energy: 0.13596875370466308
Energy: 0.10142501742513794
Energy: 0.13674693038041258
Energy: 0.6650131473385487
Energy: 0.1147753050683644
Energy: 0.6650131473419362
Energy: 0.09516578172625614
Energy: 0.5794021023551659
Energy: 0.09310888922023997
Energy: 0.5794021023534721
Energy: 0.2743817473245628
Energy: 0.6281333754267122
Energy: 0.04341372162647541
Energy: 0.6281333754309466
Energy: 0.28964613448960363
Energy: 0.14237288142675705
Energy: 0.06088768374644707
Energy: 0.142387211062166
Energy: 0.16255672173669886
Energy: 0.3733772346437285
Energy: 0.31029065833435854
Energy: 0.3733772346369536
Energy: 0.22735030154958855
Energy: 0.3786536847800221
Energy: 0.2078500464651006
Energy: 0.37865368477748146
Energy: 0.2356166756846197
Energy: -0.23504380782227924
Energy: 0.06919871747891543
Energy: -0.23504380778082126

minimum gb energy = -3.226006896297761 eV
minimum distance =  2.26767709161197 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: -2.2169254210640994
Energy: 0.27802144733432077
Energy: 0.29662042018626034
Energy: 0.009227317308190531
Energy: -2.5670944995636953
Energy: 0.25997465179712304
Energy: 0.2720717858752476
Energy: 0.25997465228913064
Energy: -0.04341771178168661
Energy: -0.03092966068529759
Energy: 0.5197857343282722
Energy: -0.030929660688250978
Energy: -2.419730162466636
Energy: 0.2862581000236446
Energy: 0.2656802662891477
Energy: 0.2862581002873911
Energy: 0.30277537722063946
Energy: 0.48762695031849834
Energy: 0.3344534317332468
Energy: 0.48762695032440506
Energy: 0.2102956162004457
Energy: 0.38524126702491013
Energy: 0.24828827687761737
Energy: 0.3852412670239257
Energy: 0.3343753894300419
Energy: 0.7039786932094664
Energy: 0.35226120171307335
Energy: 0.7039786932104507
Energy: 0.18318577377910533
Energy: 0.5839905712750539
Energy: 0.24729786912924148
Energy: 0.5839905712612713
Energy: 0.34237883931730995
Energy: 0.740764091207984
Energy: 0.20060141210039123
Energy: 0.7407640912089684
Energy: 0.2901892264875193
Energy: 0.572098486390613
Energy: 0.24918134813318207
Energy: 0.5720984849460482
Energy: -2.802238554472264
Energy: 0.4599903731821502
Energy: 0.35470841347259363
Energy: 0.4599903731919948
Energy: 0.3019612432471975
Energy: 0.4454129305011203
Energy: 0.2120645495622161
Energy: 0.4454129305069823
Energy: -0.051574130294199536
Energy: -0.022700927613233446
Energy: 0.3178412720366929
Energy: -0.022700927612248983
Energy: 0.27209297731543425
Energy: 0.12753546043720243
Energy: 0.014122143500813927
Energy: 0.12753546043720243
Energy: 0.2778023353255769
Energy: -0.042040894618096195
Energy: -2.5028721004091037
Energy: -0.0420409552576891
Energy: -2.629769449112961
Energy: -0.004601339956996992
Energy: -2.4101197968561983
Energy: -0.00460133995601253
Energy: 0.3409342363006983
Energy: 0.49337652116667474
Energy: 0.30166627151637665
Energy: 0.49337652098656287
Energy: 0.3615351675921678
Energy: 0.4595149742540843
Energy: 0.20927249062142186
Energy: 0.45951497424128623
Energy: 0.35191225443895313
Energy: 0.7437918125468423
Energy: 0.3287445783395035
Energy: 0.7437918125488112
Energy: 0.24061626218080315
Energy: 0.667418110533814
Energy: 0.3377773065974088
Energy: 0.6674181105170782
Energy: 0.20467207483686897
Energy: 0.7367306598251364
Energy: 0.352996198691271
Energy: 0.7367306598251364
Energy: 0.19775130855541698
Energy: -2.800656072184137
Energy: 0.2483715059239899
Energy: -2.8223833150711486
Energy: 0.3556927145270025
Energy: 0.5064475136840791
Energy: 0.30954137904346896
Energy: 0.5064475137057373
Energy: 0.2717115115919789
Energy: 0.5114618141793627
Energy: 0.3141087391502143
Energy: 0.5114618141793627
Energy: 0.31848554329161755
Energy: -0.03009571712141883
Energy: 0.02749617744629976
Energy: -0.0300957171076811

minimum gb energy = -2.8223833150711486 eV
minimum distance =  2.27917466145138 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.6941329247015307
Energy: 0.337796457844835
Energy: -0.40989158134937886
Energy: -0.3702477251189876
Energy: 0.17385121877116003
Energy: 0.550165995271225
Energy: 0.17493277691480305
Energy: 0.5501659952465895
Energy: 0.1411604828560906
Energy: 0.15407391707762264
Energy: 0.20856429088338052
Energy: 0.15407391708466897
Energy: 0.1316324627085387
Energy: 0.5479006288089528
Energy: 0.2210944413755199
Energy: 0.5479006340761322
Energy: 0.31611118875876587
Energy: 0.47898653960740667
Energy: 0.289633629516057
Energy: 0.47898653927871
Energy: 0.32405641916493516
Energy: 0.5653335781136823
Energy: 0.3272834898909752
Energy: 0.5653335781113336
Energy: 0.36803992546915665
Energy: 0.7579155154968577
Energy: 0.2931782477098348
Energy: 0.7579155156670645
Energy: 0.2828337410922849
Energy: 0.6747674752173495
Energy: 0.34256888015491493
Energy: 0.6747674127063298
Energy: 0.3434320335843016
Energy: 0.6964301695125614
Energy: 0.25386913413016376
Energy: 0.6964301694902478
Energy: 0.3372705122702
Energy: 0.6551773928581252
Energy: 0.2706997840665143
Energy: 0.6551773928745666
Energy: 0.4456703694454436
Energy: 0.3296205952586488
Energy: 0.4133117176593441
Energy: 0.3296205952797878
Energy: 0.1497445765398571
Energy: 0.43801480594044867
Energy: 0.326220342245158
Energy: 0.4380148059357511
Energy: 0.1681270805920509
Energy: -1.314735433967567
Energy: 0.21287181552034753
Energy: -1.3368699480093855
Energy: 0.1589952811473645
Energy: 0.3163168572823777
Energy: 0.29500002142437126
Energy: 0.31631685716616614
Energy: 0.3733524624825568
Energy: 0.53743830555267
Energy: 0.3229794673732655
Energy: 0.5374383054951514
Energy: 0.42973884730468814
Energy: 0.5475761099253577
Energy: 0.32653311726849027
Energy: 0.5475761099218345
Energy: 0.36980117756153513
Energy: 0.8260456878616327
Energy: 0.2789361989589727
Energy: 0.8260456878581095
Energy: 0.36749401083089595
Energy: 0.754677618251297
Energy: 0.2107350315231362
Energy: 0.7546776183698571
Energy: 0.3789976857620477
Energy: 0.643586633001034
Energy: 0.2741895507638356
Energy: 0.6435866330080804
Energy: -0.23813295912634222
Energy: 0.5049597983200816
Energy: 0.2681647996958035
Energy: 0.5049318739152945
Energy: 0.3626534530649332
Energy: -0.45635820996553766
Energy: -0.35385895809295415
Energy: -0.42314353971981056

minimum gb energy = -1.3368699480093855 eV
minimum distance =  2.2710392192019 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.873186669575905
Energy: 0.6365856746069799
Energy: 0.5942911145224421
Energy: 0.4108504082058588
Energy: 0.37037896081066785
Energy: 0.6374740521960623
Energy: 0.45364831908357667
Energy: 0.6374740521975146
Energy: 0.5041271089183568
Energy: 0.4241407300529459
Energy: 0.6403492466290873
Energy: 0.4241407300906743
Energy: 0.4841653891280387
Energy: 0.6460707504437085
Energy: 0.6550643318692958
Energy: 0.6460707504437085
Energy: 0.7601409036046614
Energy: 0.8124357343335347
Energy: 0.6914446874369335
Energy: 0.8124357343335347
Energy: 0.5053844712880988
Energy: 0.8170247312301828
Energy: 0.6423268549562718
Energy: 0.8170247312287304
Energy: 0.8264482199440117
Energy: 0.8059822439219724
Energy: 0.7459197948291845
Energy: 0.8059822439205201
Energy: 0.657254297020378
Energy: 0.7836480756224177
Energy: 0.5987723314123278
Energy: 0.7836480755469277
Energy: 0.47571851902131773
Energy: 0.4167471417077119
Energy: 0.37150273548491103
Energy: 0.4167465713472975
Energy: 0.4844311880621886
Energy: 0.43998757544372546
Energy: 0.39171518691618384
Energy: 0.43998757547567746
Energy: 0.6255916806428069
Energy: 0.6415120941963063
Energy: 0.5036770159708843
Energy: 0.6415120942006632
Energy: 0.5386134721053113
Energy: 0.4571363394226665
Energy: 0.49878955700908706
Energy: 0.45713633910618295
Energy: 0.6428186417732504
Energy: 0.8294831559952435
Energy: 0.7605557205910164
Energy: 0.8294831559952435
Energy: 0.5915266167343524
Energy: 0.8546506501415516
Energy: 0.4949382814898516
Energy: 0.8546506501415516
Energy: 0.7503059143915553
Energy: 0.8044018901479577
Energy: 0.6585479079063236
Energy: 0.8044018901494101
Energy: 0.596919974586233
Energy: 0.8225287103064267
Energy: 0.6592731016525394
Energy: 0.8225287103049742
Energy: 0.3787513641058338
Energy: 0.4271552470011224
Energy: 0.4741222958571565
Energy: 0.4271552469909558

minimum gb energy = 0.37037896081066785 eV
minimum distance =  2.29243107842094 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.7758860871977199
Energy: 0.17593002201264815
Energy: -0.32050042314806176
Energy: -0.5899963464591557
Energy: 0.3056486308347791
Energy: 0.524001072192755
Energy: -0.34336647422211614
Energy: 0.5240010721861745
Energy: 0.4836932306696771
Energy: 0.40933105176107476
Energy: 0.3698732317680513
Energy: 0.40933103075180655
Energy: 0.492489347517397
Energy: 0.8346866442467898
Energy: 0.5007846384268444
Energy: 0.8346866442451447
Energy: -0.3987054471040151
Energy: 0.8691456649524066
Energy: 0.5163910138707318
Energy: 0.8691456649507616
Energy: 0.49121254269536924
Energy: 0.982589406850718
Energy: 0.51301738535242
Energy: 0.982589406850718
Energy: 0.43280153212744915
Energy: 0.5134192043285032
Energy: 0.5371797489163287
Energy: 0.5134192043276806
Energy: 0.44435588706523765
Energy: 0.5386796995707563
Energy: -0.15078399033092404
Energy: 0.5386796995724015
Energy: 0.2939428558254514
Energy: -0.3172174690470424
Energy: 0.4277494698800043
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Energy: 0.44950979347855097
Energy: -0.23253126587622439
Energy: 0.47519944673700243
Energy: -0.23253125991864565
Energy: 0.5252420728910484
Energy: 0.8054599874392625
Energy: 0.5392924657272199
Energy: 0.8054599874400851
Energy: 0.48057708570005586
Energy: 0.06163625154007782
Energy: 0.5934762134860025
Energy: 0.04079592938277219
Energy: 0.5237262710997963
Energy: 0.7999905636440771
Energy: 0.6521404917413285
Energy: 0.7999905636564153
Energy: -0.2552019163756017
Energy: 0.7116310772683696
Energy: 0.49621337608856314
Energy: 0.7116310802339609
Energy: -0.12299591220850241
Energy: -0.18086465984814099
Energy: 0.4591411643519318
Energy: -0.18086465935319032
Energy: -0.40048787904019373
Energy: -0.24505126068814675
Energy: 0.4700502776281259
Energy: -0.2450512666991538
Energy: 0.49301129880099087
Energy: 0.5206876682738564
Energy: -0.2771865871831336
Energy: 0.520687668270566
Energy: 0.4240885705855044
Energy: 0.5432433249411253
Energy: 0.5368840702386887
Energy: 0.5432433249411253
Energy: 0.5124987059267069
Energy: 0.1596361931121001
Energy: 0.5035265124930621
Energy: 0.16645319503032235
Energy: 0.6933533185398472
Energy: 0.925601387584144
Energy: 0.5255964157678534
Energy: 0.925601387584144
Energy: 0.5443212954135718
Energy: 0.48698309141420393
Energy: 0.47803912944179255
Energy: 0.48698309143065494
Energy: 0.3736286968456014
Energy: -0.1479673185138291
Energy: 0.3782384709099367
Energy: -0.14797129494645467
Energy: 0.47835978634658416
Energy: -0.2324164317457887
Energy: -0.16647458111174523
Energy: -0.23241643072463047
Energy: 0.42976274592517055
Energy: -0.22118543350324368
Energy: 0.4832580789519502
Energy: -0.22118543355584944
Energy: 0.4975403018235591
Energy: 0.8685769158177503
Energy: 0.45956964020525043
Energy: 0.868576915830911
Energy: 0.5584657917082778
Energy: 0.6908194659089378
Energy: 0.5125679281317401
Energy: 0.6908194542890008
Energy: 0.5410891361612571
Energy: 0.9126951709573609
Energy: 0.4978572816677392
Energy: 0.9126951709598286
Energy: 0.5767226497796717
Energy: 0.8203727925593429
Energy: 0.2711710425119017
Energy: 0.8203727925585204
Energy: -0.40692479011429
Energy: 0.7390936708113427
Energy: 0.5289021259817466
Energy: 0.7390936674321584
Energy: 0.4630155173005602
Energy: 0.3557989088011004
Energy: -0.2547584552648761
Energy: 0.35579890875425246

minimum gb energy = -0.5899963464591557 eV
minimum distance =  2.27389925923393 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.2745275891340495
Energy: 0.744089308164397
Energy: 0.7953749861218101
Energy: 0.6344303322992185
Energy: 0.6033956199338325
Energy: 0.6138888596490448
Energy: 0.6313151787528469
Energy: 0.6138888602641803
Energy: 0.6522467864203828
Energy: 0.620395891439521
Energy: 0.7361130241446675
Energy: 0.6203958914414147
Energy: 0.6464682217077035
Energy: 0.7451882703180487
Energy: 0.6104640761457698
Energy: 0.7451882703180487
Energy: 0.6253105405313152
Energy: 0.744954093308046
Energy: 0.747046530921031
Energy: 0.744954093308046
Energy: 0.6237640821156373
Energy: 0.7809740607174331
Energy: 0.7464850207622005
Energy: 0.7809740607155394
Energy: 0.5709493726653813
Energy: 0.6129836251875094
Energy: 0.6597078388517466
Energy: 0.6129836251894029
Energy: 0.5987762747757666
Energy: 0.5967262024062346
Energy: 0.6183346849875746
Energy: 0.5967262023362127
Energy: 0.6553834637657808
Energy: 0.6212668046166145
Energy: 0.7350246515589125
Energy: 0.621266804614721
Energy: 0.6742910184848048
Energy: 0.6221441653444104
Energy: 0.6277085086918652
Energy: 0.6221441653179425
Energy: 0.6483394350779219
Energy: 0.7817070768488061
Energy: 0.747920187423116
Energy: 0.7817070768488061
Energy: 0.65450741321156
Energy: 0.7423139571090642
Energy: 0.8159484725763724
Energy: 0.7423139571071704
Energy: 0.5870398515464601
Energy: 0.590441302968147
Energy: 0.6446752216654563
Energy: 0.5904413013478697

minimum gb energy = 0.5709493726653813 eV
minimum distance =  2.30990036151176 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.6096294937960445
Energy: -1.3135033847796491
Energy: 0.4730350744176465
Energy: -0.6519270447885823
Energy: -0.6994929049186729
Energy: -0.8108983941488414
Energy: 0.2388096077499372
Energy: -0.8153801787556281
Energy: -1.0820491810663373
Energy: 0.26044268709342405
Energy: -0.22592274472502213
Energy: 0.260442686026442
Energy: 0.2573494564086221
Energy: 0.2784829661854512
Energy: -0.7200794464096633
Energy: 0.27848419448224115
Energy: 0.2970117121459004
Energy: -0.9571282013289931
Energy: -0.4480670432167597
Energy: -1.234338810262652
Energy: 0.45130754326082234
Energy: 0.522548472289882
Energy: -1.3541126617499877
Energy: 0.5225484738289969
Energy: 0.3832772382821206
Energy: -0.5262391765430556
Energy: -0.6982444171450868
Energy: -0.5263110928543053
Energy: 0.5399736187601735
Energy: 0.1561599652066687
Energy: 0.3515898078170701
Energy: 0.1561599652066687
Energy: 0.20229949932132815
Energy: 0.4343885377656457
Energy: 0.3727598901707176
Energy: 0.4343885377411152
Energy: -0.5406520405123019
Energy: 0.5091244529148469
Energy: -0.44945926970784816
Energy: 0.509124350946827
Energy: -0.6399296193523384
Energy: -0.3769664244149647
Energy: 0.5793304623316579
Energy: -0.3769664244114604
Energy: -0.6720235295021907
Energy: -0.36560180851713636
Energy: -0.5345064518062121
Energy: -0.3656025072719323
Energy: 0.5255790242518774
Energy: 0.675153350337348
Energy: 0.6173749443242198
Energy: 0.6751533503366473
Energy: -0.4888350533586358
Energy: 0.7347834328772958
Energy: -0.18718309770008906
Energy: 0.7347834328758941
Energy: -1.3056903705750533
Energy: 0.8285967077270618
Energy: 0.17717018714033697
Energy: 0.8285967077389768
Energy: 0.3404437508754868
Energy: 0.940277987700813
Energy: 0.41627068017260554
Energy: 0.9402779877078218
Energy: 0.5850611603203136
Energy: 0.6874866552928873
Energy: -0.9993162677579386
Energy: 0.6874876567277955
Energy: 0.3208149137338618
Energy: -0.21386987633520552
Energy: 0.5523730671235073
Energy: -0.21386987634501772
Energy: 0.5642208939192906
Energy: -0.5136793263990715
Energy: -0.601046682920148
Energy: -0.5136779643995419
Energy: -0.1985162854984409
Energy: 0.31540692039199525
Energy: 0.1942978568388376
Energy: 0.3154069379852205
Energy: 0.5662644170176949
Energy: 0.7314142947416804
Energy: -0.7620887803595913
Energy: 0.7314142947402786
Energy: -1.1044105627612832
Energy: 0.7844461954122205
Energy: -0.7235277948395537
Energy: 0.7844461983111546
Energy: 0.40569358393253957
Energy: 0.9218518861356169
Energy: 0.5592822322992733
Energy: 0.9218518861314114
Energy: -0.5896420802142499
Energy: -0.7125074914670094
Energy: 0.3403934679576586
Energy: -0.7121121927491776
Energy: -1.0554849490802567
Energy: 0.1534239481362424
Energy: 0.4981067930771144
Energy: 0.15342394813554153
Energy: 0.12166926642643423
Energy: -0.2333307787950005
Energy: 0.24275714930641235
Energy: -0.23333198175252776
Energy: -0.6884476477207488
Energy: 0.7556039778497674
Energy: 0.7889694087250593
Energy: 0.7556039777706326
Energy: 0.5814791362456695
Energy: 0.7586064542251952
Energy: -0.5624114725335928
Energy: 0.7586064542237935
Energy: -0.5992651416219478
Energy: -0.8431386452217959
Energy: 0.1696531362654913
Energy: -0.8431385879046749
Energy: 0.4319827139934434
Energy: -0.06794761127245727
Energy: 0.4919481303547645
Energy: -0.06794761116872822
Energy: 0.31794674821310515
Energy: 0.25967762286388757
Energy: -0.4688113952042973
Energy: 0.25967767650162193
Energy: 0.2470052843737359
Energy: 0.7042919911232824
Energy: -0.9047583789867365
Energy: 0.7042872041434824
Energy: -0.02094772972851201
Energy: 0.08135087957068488
Energy: -1.1331756653200828
Energy: 0.08134935658015541
Energy: 0.24368722336205662
Energy: 0.7133657247265393
Energy: 0.26659646352419514
Energy: 0.713365700508863
Energy: 0.4419183674342997
Energy: -0.3235998020461172
Energy: 0.19137570920584998
Energy: -0.3235998020923748

minimum gb energy = -1.3541126617499877 eV
minimum distance =  2.23386197953764 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.49433467901473627
Energy: 0.5275390057930972
Energy: -0.3597479948264259
Energy: -0.4108033968231248
Energy: -0.15232703252729307
Energy: 0.9101854510609603
Energy: 0.40280105641201686
Energy: 0.9101854510832001
Energy: 0.44727152941374404
Energy: 0.4554207909719456
Energy: 0.43654174831911696
Energy: 0.45542079096860966
Energy: -0.34092145660144835
Energy: 0.7224210487068348
Energy: 0.4155718840752959
Energy: 0.7224210487424184
Energy: -0.3691930409654862
Energy: 0.8282481757486713
Energy: 0.26922013068398093
Energy: 0.8282481757486713
Energy: -0.3483681420464976
Energy: -0.004189186101865096
Energy: -0.16278222685367058
Energy: 0.02673892306474657
Energy: 0.4535431348738944
Energy: 0.5709837506264639
Energy: 0.23168529128715773
Energy: 0.5709837433094895
Energy: 0.3732965860175845
Energy: 0.48369991526794465
Energy: 0.5335162048456127
Energy: 0.48369991527016865
Energy: 0.370615901941968
Energy: 0.9043132230150931
Energy: 0.29722217962826997
Energy: 0.9043132230150931
Energy: -0.10469879069450512
Energy: 0.7946820800229439
Energy: 0.4576946786332852
Energy: 0.7946820787180229
Energy: 0.4893584413437775
Energy: 0.5267254958774488
Energy: 0.3289733370872284
Energy: 0.5267254958785608
Energy: 0.4900053416287336
Energy: 0.5361579724729123
Energy: 0.5644612368877127
Energy: 0.5361579724662403
Energy: 0.5293851011332034
Energy: 0.7042574421088623
Energy: 0.3780745039817228
Energy: 0.7042574421077504
Energy: 0.5421277428938256
Energy: 0.6451758993882549
Energy: 0.5515662462076931
Energy: 0.6451758987869205
Energy: 0.4711495857039876
Energy: 0.6903304542860657
Energy: 0.48977375215228186
Energy: 0.6903304542860657
Energy: -0.16548645734974987
Energy: 0.7736588296596324
Energy: 0.4803678471979612
Energy: 0.7736588295840423
Energy: 0.43126814212223047
Energy: 0.17091900135407515
Energy: 0.5449596782962255
Energy: 0.17517309037084913
Energy: -0.3595344332095793
Energy: -0.46239082523459757
Energy: 0.35660467691291703
Energy: -0.5318621282157886
Energy: -0.2847701088728339
Energy: -0.22947729107977688
Energy: 0.5136364757446275
Energy: -0.23312166491060746
Energy: 0.3232346995780492
Energy: 0.3783257106128034
Energy: 0.4269865685916723
Energy: 0.3783257640624798
Energy: -0.2671615429702235
Energy: 0.677309386822911
Energy: 0.5131630369808026
Energy: 0.6773093867673369
Energy: 0.5884821962488173
Energy: -0.2315044053034797
Energy: 0.4189412199440995
Energy: -0.23150440319385648

minimum gb energy = -0.5318621282157886 eV
minimum distance =  2.24832760632896 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: -0.20218846536600302
Energy: -0.14961229586016728
Energy: -0.31860829265385476
Energy: -0.31567545873295966
Energy: -0.40677253593770996
Energy: 0.41301183753890164
Energy: -0.4774774355426449
Energy: 0.41301172202906755
Energy: -0.20333922443843022
Energy: 0.6907098504933715
Energy: -0.22100611201766912
Energy: 0.6907098505350094
Energy: -0.34488533409884387
Energy: -0.39361447166754293
Energy: -0.3425667010003629
Energy: -0.3936145481779461
Energy: -0.2484316424533382
Energy: -0.37040592728455696
Energy: 0.4779128497461224
Energy: -0.37040592730342803
Energy: -0.617479946051355
Energy: 0.7802722684538185
Energy: 0.48030751548533784
Energy: 0.7802722687194794
Energy: 0.02986384114111317
Energy: -0.15579669064256846
Energy: -0.528286849176228
Energy: -0.15580248700439628
Energy: -0.2343757443959505
Energy: -0.5948238208540745
Energy: -0.30141926953127324
Energy: -0.5949642037164778
Energy: -0.5243774279383558
Energy: -0.6065965509114511
Energy: -0.6961638552053073
Energy: -0.6065964748294365
Energy: -0.3287457144352379
Energy: 0.8825822054482809
Energy: -0.6309355533853714
Energy: 0.8825822054498534
Energy: -0.5327546048031474
Energy: -0.29418557781479604
Energy: -0.3098168622653601
Energy: -0.29418557370586257
Energy: -0.30517102323670436
Energy: -0.37183829661023954
Energy: 0.5668772812918446
Energy: -0.3718382967689999
Energy: -0.3366181523710494
Energy: 0.6912185529685079
Energy: -0.7072840284135568
Energy: 0.6912185529669352
Energy: -0.32644691904682305
Energy: -0.2603981554401665
Energy: -0.6217030394023153
Energy: -0.2603981720173621
Energy: -0.5198677684380046
Energy: 0.7462738785441041
Energy: -0.6216605791168901
Energy: 0.746273878546463
Energy: 0.009253132550633432
Energy: -0.4035771830110667
Energy: -0.2606149645919246
Energy: -0.40357718355418293
Energy: -0.17929083832050713
Energy: -0.4816364958089025
Energy: -0.45633956123192015
Energy: -0.48163649579632173
Energy: -0.2534500397713362
Energy: 0.9291060489922145
Energy: -0.35524450156125353
Energy: 0.9291060489403548
Energy: -0.18267916394238792
Energy: -0.2724530934398368
Energy: -0.5455820140710058
Energy: -0.2724303008560292
Energy: -0.6187795965240163
Energy: -0.2885616225171715
Energy: -0.42597297357452835
Energy: -0.28856132940762835
Energy: -0.41872549290462
Energy: 0.778526619885378
Energy: 0.4736681438547621
Energy: 0.7785266198759783
Energy: -0.0531008263900846
Energy: 0.6908333753456787
Energy: -0.5080891327595916
Energy: 0.6908333752749478
Energy: -0.056595057504243707
Energy: -0.2747953699011996
Energy: -0.14833730414388344
Energy: -0.2747953699852976
Energy: -0.32385294512090906
Energy: -0.299696771081072
Energy: -0.7419538126207736
Energy: -0.2996967711054115
Energy: -0.28825131389226993
Energy: -0.44652521724265914
Energy: -0.6158595235702381
Energy: -0.44652482519418724
Energy: -0.3646021460644496
Energy: -0.03083380857889756
Energy: -0.6369190079555225
Energy: -0.030992525358492957
Energy: -0.5528322278397927
Energy: -0.4986755615324851
Energy: 0.014128693995721179
Energy: -0.49867539334138133
Energy: -0.5529566659814314
Energy: 0.24019353490396445
Energy: -0.5790753751195482
Energy: 0.24019351776167203
Energy: -0.29057461559110975
Energy: -0.4589894209451658
Energy: -0.3675829914252163
Energy: -0.45898941914376135
Energy: -0.6122588682789396
Energy: 0.7831486060409721
Energy: -0.6428543217283635
Energy: 0.7831486060645252
Energy: -0.006296665444209149
Energy: -0.3010553844321755
Energy: -0.5715021150151668
Energy: -0.3010553821285422

minimum gb energy = -0.7419538126207736 eV
minimum distance =  2.25933812344516 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.8902704976013339
Energy: 0.867580422474898
Energy: -0.32779838375034126
Energy: -0.24419808245113203
Energy: 0.5476896250238275
Energy: -0.35104524344333465
Energy: -0.36287981923999624
Energy: -0.35104517813943537
Energy: -0.5356206914205195
Energy: -0.4387555563391886
Energy: 0.7155752788769545
Energy: -0.4363553784749284
Energy: 0.5408300516926472
Energy: -0.023384390861964775
Energy: -0.4474168408630085
Energy: -0.023384393017077506
Energy: -0.014900759003866662
Energy: -0.33597257562458704
Energy: 0.5354245089078863
Energy: -0.33207502028485253
Energy: -0.053911367091442425
Energy: -0.2792329703070917
Energy: 0.5370231094721891
Energy: -0.2792329598874928
Energy: 0.7207925234509678
Energy: -0.3051874876018201
Energy: -0.48334708739016236
Energy: -0.30518753845507945
Energy: -0.4050634101252272
Energy: -0.30633212565255197
Energy: 0.5484581071694943
Energy: -0.3063321388191078
Energy: 0.5461541802568419
Energy: -0.3540719045128952
Energy: -0.34766397998863086
Energy: -0.3540718993053782

minimum gb energy = -0.5356206914205195 eV
minimum distance =  2.27494964166328 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.36985959033416305
Energy: -0.36421335620940853
Energy: -1.3467014458503828
Energy: -0.5106550194778855
Energy: -0.38742250910034026
Energy: -0.5692243302489152
Energy: -0.4277834297298371
Energy: -0.5692247037174728
Energy: 0.23645159833204804
Energy: -0.09759942348586576
Energy: -0.4564552075489595
Energy: -0.09771210029701591
Energy: -0.39149132884935295
Energy: 0.22757929961162515
Energy: -0.4949993108995577
Energy: 0.22757930230369378
Energy: -0.4530574030893115
Energy: -0.45936437056031076
Energy: 0.06637672182695982
Energy: -0.4698277770952099
Energy: -0.4408161797023854
Energy: -0.5465682010879269
Energy: 0.01623756418605245
Energy: -0.5460404516280578
Energy: -0.48519275110410914
Energy: -0.5860907849606006
Energy: -0.44005729486931466
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Energy: -0.49986269324035804
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Energy: -0.38723367504807105
Energy: -0.3136261035353763
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Energy: -0.4010321133651842
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Energy: -0.39740439228355606
Energy: -0.5739622501142868
Energy: -0.5861687146459332
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Energy: -0.5743712690587534
Energy: -0.20429288080890057
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Energy: -0.49195687978207564
Energy: -0.4307663309398019
Energy: 0.012830117893710892
Energy: -0.4313063139012279
Energy: -0.12103888044807677
Energy: 0.16883293979573924
Energy: -0.5216266093223088
Energy: 0.1688329179188078
Energy: -0.22870378351680215
Energy: -0.4858965134578389
Energy: -0.5295010247579898
Energy: -0.48589649251630157
Energy: -0.415532663170085
Energy: -0.5085598440081873
Energy: -0.49139413923956526
Energy: -0.508559999889283
Energy: -0.03690786577217828
Energy: -0.520241712020585
Energy: -0.5560349366078549
Energy: -0.5202336585850669

minimum gb energy = -1.3467014458503828 eV
minimum distance =  2.21000755631224 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.3721979947455269
Energy: -0.15812119293889124
Energy: -0.34925452887918124
Energy: -0.2697212887322505
Energy: -0.08352850578242668
Energy: -0.21938774037297146
Energy: -0.02382431090908636
Energy: -0.21893190188079695
Energy: -0.19087770434873175
Energy: 0.33426674266567435
Energy: -0.39548297279026995
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Energy: -0.01064196466258306
Energy: 0.48043088338037804
Energy: -0.22670044080155366
Energy: 0.48043081824347994
Energy: -0.16782112449371647
Energy: -0.3265348895539327
Energy: 0.09523310864448499
Energy: -0.3265348881065488
Energy: -0.30581542649719723
Energy: -0.2873836492425486
Energy: 0.060842156736645434
Energy: -0.2873836491255199
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Energy: -0.2347951465060449
Energy: -0.34156070851648324
Energy: -0.23479514644339933
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Energy: 0.34324194956884985
Energy: 0.047097747842146744
Energy: 0.34324194924651913
Energy: -0.15398109494447756
Energy: -0.03188417814049568
Energy: 0.05539123488929493
Energy: -0.03188413450620695
Energy: 0.055598957745240304
Energy: 0.43808663525929165
Energy: -0.4371964521946626
Energy: 0.4388488641981083
Energy: -0.174044857455275
Energy: -0.2796034233661759
Energy: -0.5178266592298096
Energy: -0.2796034155276812
Energy: 0.4120279315746241
Energy: -0.25972190159773684
Energy: -0.2641874046133739
Energy: -0.259721901283622
Energy: 0.8091121766949028
Energy: -0.2992009611082891
Energy: -0.28970244143130786
Energy: -0.2991979895117796
Energy: -0.08173409355016616
Energy: 0.6154490051001006
Energy: -0.28352671234109644
Energy: 0.6154490050980465
Energy: -0.09892199862684802
Energy: -0.1621535851993342
Energy: -0.06657546502523252
Energy: -0.1621535851993342
Energy: -0.18306309326244952
Energy: 0.0033810077619309885
Energy: -0.3108395599909861
Energy: 0.003432768230965752
Energy: -0.34691287708573054
Energy: -0.5107978708612586
Energy: 0.07767634446148527
Energy: -0.5107991178183621
Energy: -0.47734229596650124
Energy: -0.3437877702680169
Energy: 0.028545406127142157
Energy: -0.34387116253926064
Energy: -0.3401824898034552
Energy: -0.323678913886967
Energy: 0.18823782028613228
Energy: -0.32367937269357405
Energy: -0.34705305736327857
Energy: 0.40537291572615014
Energy: 0.026876076181548306
Energy: 0.4053729168779048
Energy: 0.2453053390343821
Energy: 0.06406001905533991
Energy: -0.1347783312008464
Energy: 0.06406002019687143
Energy: 0.2647929244361705
Energy: -0.29158577300621263
Energy: -0.30158278404752037
Energy: -0.2915857727537164
Energy: -0.11672917549258917
Energy: -0.2741035634479801
Energy: -0.33218417378655835
Energy: -0.2741035635814404
Energy: 0.818080940521196
Energy: -0.5878044816144594
Energy: -0.5685615461799565
Energy: -0.5880985767501729

minimum gb energy = -0.5880985767501729 eV
minimum distance =  2.22520828880283 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: -0.33068988794422816
Energy: -1.0873332034990129
Energy: -1.1283796825923482
Energy: -1.3326011683139227
Energy: -1.1680350641603123
Energy: 0.6011618834914538
Energy: -1.0956557296218177
Energy: 0.6011618834901845
Energy: -0.8330030033784068
Energy: -0.9771959469149298
Energy: -0.7041901385830657
Energy: -0.9765586312782271
Energy: -0.39150251125309093
Energy: -0.5770876963338591
Energy: -0.6873206568543422
Energy: -0.5770801275041922
Energy: -0.2879475744427671
Energy: -1.2680242502680363
Energy: -0.37162663148736913
Energy: -1.2680242439214242
Energy: -1.2957880283389083
Energy: -1.3329622916373869
Energy: -0.33564905617507496
Energy: -1.3329914220842565
Energy: -1.1706073716057468
Energy: -1.3065562417541148
Energy: -1.2630918196099756
Energy: -1.3065562425478454
Energy: -1.2563872109867598
Energy: -1.251222359456036
Energy: -0.5018340574456788
Energy: -1.2512181044703223
Energy: -0.80184805321704
Energy: -0.7130525056317125
Energy: -0.6896589192760495
Energy: -0.7128774625936901
Energy: -0.7039812813475163
Energy: -0.9743825555110196
Energy: -0.9780878265164317
Energy: -0.9743831304972721
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Energy: -1.2287334185855832
Energy: -1.0497937668980561
Energy: -1.2256568314845966
Energy: -0.5162083397351053
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Energy: -1.1613018650963074
Energy: -1.1477597737900276
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Energy: -0.9901030912014259
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Energy: -0.9963767209353197
Energy: -1.0907826164762764
Energy: -0.996376720551467
Energy: -0.7334643441399215
Energy: -1.1212426778241265
Energy: -1.1092151018215992
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Energy: -0.9037953108702217
Energy: -0.3617957839055148
Energy: -0.9515485339457845
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Energy: -1.141140961317332
Energy: -0.3673111891469952
Energy: -1.2808141137155449
Energy: -1.1054899989739635
Energy: -1.2807772759547111
Energy: -0.3238971761341307
Energy: -1.290458053875339
Energy: -1.3030113476191545
Energy: -1.2905205803320936
Energy: -1.2482429104612962
Energy: -1.2577041009125125
Energy: -1.2485825805010617
Energy: -1.2577147526258023
Energy: -0.8151276042729907
Energy: -1.246548392248357
Energy: -1.246712386570117
Energy: -1.2465472136200184
Energy: -0.8594792942330425
Energy: -0.8266235606336305
Energy: -0.6826832002795222
Energy: -0.825760043372325
Energy: -0.744686328454143
Energy: -0.7857868611853351
Energy: -0.5737556708120787
Energy: -0.7856386085127246
Energy: -0.8755436588435478
Energy: -1.118925490100981
Energy: -0.26932451174421007
Energy: -1.1441362292164414
Energy: -0.4608235795560659
Energy: -1.280307780490477
Energy: -0.16231352839078306
Energy: -1.2345931297120596
Energy: -1.136938324851888
Energy: -1.1433822381301983
Energy: -0.06144240494973083
Energy: -1.1433980032465907
Energy: -1.0968820175483733
Energy: -1.1209747340894762
Energy: -1.119462829008713
Energy: -1.1209723388203523
Energy: -1.1031895636445896
Energy: -0.6600457050001264
Energy: -0.23569233467721154
Energy: -0.659816266551239
Energy: -0.9247826852057653
Energy: -0.585785356092113
Energy: -0.7186393674084538
Energy: -0.5857428535278083
Energy: -0.35967278610121345
Energy: -1.1295076935264121
Energy: -1.155108821408706
Energy: -1.1806390444580197
Energy: -1.1901961245267454
Energy: -1.0721484543177577
Energy: -1.2819573420658992
Energy: -1.0749632455762759
Energy: -0.39726069568404515
Energy: -1.158529625645986
Energy: -1.0970665406511546
Energy: -1.1712752199454302

minimum gb energy = -1.3329914220842565 eV
minimum distance =  2.20986059042612 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: -0.22985857846971505
Energy: 1.1811553111372264
Energy: -1.015266183064908
Energy: -0.9692602983447519
Energy: -0.6205469836995727
Energy: -0.8408502501337202
Energy: -0.9166185043893987
Energy: -0.8904139101372647
Energy: -0.6047681667135011
Energy: -0.8388475692760851
Energy: -0.988795940370698
Energy: -0.8388632266495015
Energy: -0.6425807041474627
Energy: -0.8552510548529682
Energy: -1.023780332592405
Energy: -0.8566943451900428
Energy: -0.6245350775025023
Energy: -0.8418818225356322
Energy: -0.2963789467282551
Energy: -0.841855292676786
Energy: -0.986032665433829
Energy: -0.9379898276301715
Energy: -0.2527977673449006
Energy: -0.9184048946224993
Energy: -0.8268225591158798
Energy: -1.017808273973162
Energy: -0.9485562053952625
Energy: -1.0847183077732927
Energy: -0.95256656898258
Energy: -0.9600980867562159
Energy: -0.5130878212393436
Energy: -0.8944839866092654
Energy: -1.0622671755348578
Energy: -0.9077437476045027
Energy: -0.6970091561656528
Energy: -0.9460105964750822
Energy: -0.97057130862336
Energy: -0.8710575315388833
Energy: -0.5929979813291258
Energy: -0.8706532109344355
Energy: -1.035805984527693
Energy: -0.8202767263632147
Energy: -0.6435225461174315
Energy: -0.7862992446349575
Energy: -0.25974770024165866
Energy: -0.9659879332096527
Energy: -0.6097887073770524
Energy: -1.0082597226036396
Energy: -0.22409327792640377
Energy: -0.8884673593767709
Energy: -0.8749361974691295
Energy: -0.8601816704982239
Energy: -0.9617766633370416
Energy: -0.9831078575190669
Energy: -0.9644574390360724
Energy: -0.9887053871839989
Energy: -0.6403668636652825
Energy: -0.9396198462470425
Energy: -1.0553201751391939
Energy: -0.9425919707488409

minimum gb energy = -1.0847183077732927 eV
minimum distance =  2.24061159307114 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: -0.7738085797664569
Energy: -1.0454644185609463
Energy: -1.7254262012393853
Energy: -1.5983771953609869
Energy: -1.3685152402346334
Energy: -0.8786159408496549
Energy: -1.6667499982022111
Energy: -0.8786159415378014
Energy: -1.544674932986187
Energy: -1.6603094196804449
Energy: -0.6927147235895522
Energy: -1.4623396733612752
Energy: -0.27680284088050805
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Energy: -1.572973198455689
Energy: -1.4807366963284814
Energy: -1.5302879758266958
Energy: -1.3418933939762472
Energy: -1.2929831704323516
Energy: -1.4104084362936218
Energy: -0.8720404463121092
Energy: -1.4560198802558137
Energy: -1.3921713800214066
Energy: -1.4560447426933454
Energy: -0.8087415852269076
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Energy: -1.4984961118383657
Energy: 0.5462817205746794
Energy: -1.082916145567042
Energy: -1.7174887134231502
Energy: -1.0873227659311158
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Energy: -1.7980303223451164
Energy: -1.52475939076138
Energy: -1.0650334368595944
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Energy: -1.721601395475679
Energy: -1.5025983994023413
Energy: -1.7206727882796975
Energy: -1.7167996671679764
Energy: -1.5916058930796793
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Energy: -0.8790126420853899
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Energy: -1.5111085647323776
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Energy: -1.2738272330160625
Energy: -1.0210351119324124
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Energy: -1.7307166834960843
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Energy: -1.1121137792524083
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Energy: -1.6458266127211918
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Energy: -1.4408934506083924
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Energy: -1.7428025438355264
Energy: -1.6503083500974198
Energy: -1.7364803835497231
Energy: -1.4912689021487215
Energy: -1.6190619973531013
Energy: -1.3677277206645195
Energy: -1.5672090254773012
Energy: -1.576082048016548
Energy: 0.17089903776779727
Energy: -0.325311077553318
Energy: 0.17089904063106653
Energy: -1.5993471656103742
Energy: 0.4740919708450162
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Energy: 0.4740919701902835
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Energy: -1.7574897557843423
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Energy: -1.76738343358142
Energy: -1.6768603899191563
Energy: -1.0669739537077947
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Energy: -0.7238398958102673
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Energy: -1.7704022066720109
Energy: -1.7338297246000607
Energy: -1.1857134812718961
Energy: -1.7341242228686018
Energy: -1.18919323681106
Energy: -1.7065920106873311
Energy: -1.2696586164797699
Energy: -1.6961532627342468
Energy: -0.8456417319115972
Energy: -1.356758349240717
Energy: -1.5816308759842583
Energy: -1.2266959533101252
Energy: -1.4650065253603073
Energy: -1.7071982334830842
Energy: -0.3399981442739788
Energy: -1.7167635412224282
Energy: -1.3104405526214284
Energy: -1.6869564611767838
Energy: -1.3054653741521565
Energy: -1.6869548464299347
Energy: -1.2675899368679073
Energy: -1.7681716253383695
Energy: -1.7949297293552515
Energy: -1.76818551005981
Energy: -1.2385497088324409
Energy: -1.4447861725076248
Energy: -1.15844237271125
Energy: -1.4447863263918461
Energy: -1.060547001258666
Energy: -1.739383382836298
Energy: -1.7105430459895978
Energy: -1.7721393007786304

minimum gb energy = -1.8012120247282135 eV
minimum distance =  2.21719620098345 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.032276797345018225
Energy: -0.38053571519083446
Energy: -0.8324637250800684
Energy: -0.6624956469318986
Energy: -0.4475134822174667
Energy: -0.6923625658608321
Energy: -0.547469083114314
Energy: -0.7668259826346283
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Energy: -0.8665812127222023
Energy: -0.5598297123199536
Energy: -0.8653213357131068
Energy: -0.5560601660565498
Energy: 0.4370072066556593
Energy: -0.589650695834317
Energy: 0.4370072069489749
Energy: -0.6400422647527124
Energy: -0.6575623810733608
Energy: -0.4441655984861946
Energy: -0.638237822317069
Energy: -0.7930541767816109
Energy: 0.3099781681177035
Energy: -0.4883104980842157
Energy: 0.30997816377575743
Energy: -0.2250584672385408
Energy: 0.4050190526516671
Energy: -0.6200840253551234
Energy: 0.40501905254153764
Energy: -0.6478892009605574
Energy: -0.13926156397179001
Energy: -0.1936876408018802
Energy: -0.13955139194542007
Energy: -0.5238664920738065
Energy: -0.04144776899202956
Energy: -0.10112998186994616
Energy: -0.041416809021046365
Energy: -0.7701798391471499
Energy: -0.5771620658587708
Energy: -0.5737525352031888
Energy: -0.6022037742165408
Energy: -0.7913212488808891
Energy: -0.7961166811834308
Energy: 0.21995126898410336
Energy: -0.7794049183931389
Energy: -0.5887436441885381
Energy: -0.894268564534639
Energy: -0.6779646423347266
Energy: -0.8942685618590874
Energy: -0.5637232361932716
Energy: -1.0067512631675473
Energy: -0.5424638179186135
Energy: -0.9805568506187254
Energy: -0.49896728766375115
Energy: 0.16624313508400446
Energy: -0.5672402481534661
Energy: 0.16624313900217283
Energy: -0.45777685911721494
Energy: -0.4693401054286456
Energy: -0.5192576820423483
Energy: -0.47088914424228495
Energy: -0.4619245293986863
Energy: 0.3290282460194108
Energy: -0.8397056800513506
Energy: 0.32902824561000477
Energy: -0.5969748800237363
Energy: -0.8026529322508414
Energy: -0.43768394169391733
Energy: -0.8656440617549106
Energy: -0.19957728433612215
Energy: -0.9212606393749663
Energy: -0.9103204240987119
Energy: -0.9337291242651896
Energy: -0.14391404345201608
Energy: -0.40618977113425864
Energy: -0.6100159961401395
Energy: -0.42588798261196764
Energy: -0.5386705510634636
Energy: -0.29683463052053227
Energy: -0.5868600670690536
Energy: -0.29716243711329354

minimum gb energy = -1.0067512631675473 eV
minimum distance =  2.24201054483229 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: -0.6851789680904283
Energy: -0.714957198680138
Energy: -1.6018030612365055
Energy: -0.7611500893242272
Energy: -1.0096017175506384
Energy: -1.5399660162294233
Energy: -1.5490154444182906
Energy: -1.5575951239854642
Energy: -0.8500958945852247
Energy: -1.6792395091266756
Energy: -1.5664504665107755
Energy: -1.6792283378022295
Energy: -0.8455656325801095
Energy: 0.25815854454851916
Energy: -1.076855763641301
Energy: 0.2581585445849498
Energy: -0.9552320845792329
Energy: -0.283744110730049
Energy: -1.1252003298998483
Energy: -0.28374132250023515
Energy: -1.1984113660235365
Energy: -1.4210966964283926
Energy: -1.0996929994281215
Energy: -1.1865173186378482
Energy: -1.1354809264818997
Energy: 0.7549052389988066
Energy: -1.0965061545753345
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Energy: -1.1782415234502894
Energy: -1.514865866536505
Energy: -0.8428750540716419
Energy: -1.482433128373171
Energy: -1.2836735743568857
Energy: -1.3257535891050864
Energy: -1.062732743250917
Energy: -1.3257535898734876
Energy: -1.4123608428531882
Energy: -0.721173307537229
Energy: -0.9299885774278718
Energy: -0.7211733074858351
Energy: -1.6864812635142028
Energy: -1.7665072233993742
Energy: -0.6709632326650586
Energy: -1.7690531075397626
Energy: -0.7792300019699241
Energy: -0.8365951602256166
Energy: -1.0600916670263711
Energy: -0.8365951674235299
Energy: -0.9589192413227869
Energy: -0.8788431836670555
Energy: -1.0345998971123531
Energy: -0.8788174587358952
Energy: -1.2825323511565931
Energy: -0.6957727358867645
Energy: -0.7041137419859488
Energy: -0.6957727365654279
Energy: -1.5179410767785213
Energy: 0.09559418645814109
Energy: -1.0279095750675162
Energy: 0.20328080731316975
Energy: -1.4822210544236498
Energy: -0.774469682188819
Energy: -0.8913640039474814
Energy: -0.8501676976024841
Energy: -1.1594052601963334
Energy: 0.414356467470377
Energy: -0.830983907754649
Energy: 0.4143564674713122
Energy: -1.1245946055235017
Energy: -0.7787834987789121
Energy: -0.9467096287575639
Energy: -0.794500073150485
Energy: -1.106978974105443
Energy: -0.277421200812431
Energy: -1.2511073898715779
Energy: -0.2774212008619545
Energy: -1.0239674527383518
Energy: -1.1817024514239454
Energy: -1.3428464481933156
Energy: -1.4196058011270833
Energy: -0.8293308906642356
Energy: -1.4888186679711148
Energy: -1.2245731575789591
Energy: -1.464486206157228
Energy: -1.1286749557475109
Energy: -0.0007419373300159144
Energy: -0.7548258845574852
Energy: -0.0007419373010669758
Energy: -0.6985843152704807
Energy: -0.8810337166317396
Energy: -1.376951282410007
Energy: -0.8810336754522359
Energy: -0.5863295254876015
Energy: -1.472142905654571
Energy: -1.6876733146497647
Energy: -1.435626272818617
Energy: -0.9965945394904124
Energy: -1.4183432821886215
Energy: -0.804398968563676
Energy: -1.418343282270877
Energy: 0.3189350383356006
Energy: -0.7862846186805635
Energy: -1.7097095576113652
Energy: -0.7862844571633403

minimum gb energy = -1.7690531075397626 eV
minimum distance =  2.24471391116844 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: -0.9600555647088262
Energy: -1.491445961095705
Energy: -2.073402147680772
Energy: -2.4075614776623215
Energy: -1.3150004192944733
Energy: -1.629583305875303
Energy: -1.7566709753997638
Energy: -1.6311622220685837
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Energy: -1.7157577947744629
Energy: -1.9988504215625904
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Energy: -1.6902527491557438
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Energy: -1.3325186238753959
Energy: -1.7291794780111225
Energy: -1.8518075247855585
Energy: -1.6159382782730252
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Energy: -0.43971129305449014
Energy: -1.7673913704927968
Energy: -0.43969326003295206
Energy: -1.6228226329117497
Energy: 0.5905282198617542
Energy: -1.4128363410330174
Energy: 0.5905282198632876
Energy: -1.5662719167878634
Energy: -2.126659547626159
Energy: -1.5701768374106908
Energy: -1.4964929839942407
Energy: -1.7746393684509671
Energy: -1.0493280326921153
Energy: -1.639333814961327
Energy: -1.0535947230450566
Energy: -1.9740005386967208
Energy: 0.2022788258005895
Energy: -1.545010812500323
Energy: 0.20227882580902337
Energy: -1.3795208742695917
Energy: -1.7587734567642097
Energy: -1.2183429712407274
Energy: -1.8190767362428821
Energy: -1.9675396858896137
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Energy: -1.3117805012841748
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Energy: -2.088423479775898
Energy: -1.2277509743370638
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Energy: -1.5041240559748588
Energy: -2.2077121724470543
Energy: -1.0113158469802208
Energy: -1.8492029571193338
Energy: -1.1405449727668462
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Energy: -1.928660960421076
Energy: -1.0499871572019233
Energy: -1.9286609618335084
Energy: -2.0569292470690725
Energy: -2.313331910464962
Energy: -1.3924883917597841
Energy: -2.209955736830967
Energy: -1.9177343134273288
Energy: -1.8821985456249084
Energy: -1.1014415948623484
Energy: -1.8062269852812927
Energy: -1.7417291186135495
Energy: 0.10113219992442697
Energy: -1.0636166641015383
Energy: 0.10113219417355981
Energy: -1.5831951040684074
Energy: -0.12659262573451674
Energy: -1.5282802870567442
Energy: -0.1265829319037231
Energy: -1.6938607930487795
Energy: 0.5801907369873461
Energy: -1.653706783596909
Energy: 0.5801907369720467
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Energy: -1.5897213698227228
Energy: -1.5093056461068082
Energy: -1.5540518209841405
Energy: -1.5463982270495995
Energy: -0.8171242614884858
Energy: -1.6339389904868236
Energy: -0.8154858753636911
Energy: -1.422690448220753
Energy: -1.7144906796893424
Energy: -1.7756965980903021
Energy: -1.692196621902722
Energy: -1.2110234214906286
Energy: -0.6361797035319975
Energy: -1.6937222562404708
Energy: -0.7027984723272103
Energy: -1.2635087215158698
Energy: -0.22475560450812435
Energy: -1.6893375332100813
Energy: -0.22475562934714885
Energy: -1.3663348863849731
Energy: 0.12266181698319908
Energy: -1.7683899477507496
Energy: 0.12266181702843543
Energy: -0.8896961340131165
Energy: -1.949585532914434
Energy: -1.689118852058192
Energy: -1.949585482319775
Energy: -1.0897105131410645
Energy: -1.781186507950656
Energy: -2.002103400257935
Energy: -1.7811864907861223
Energy: -1.392255696484868
Energy: -2.306833797414806
Energy: -2.3860103246221973
Energy: -2.322479315859429
Energy: -1.3908920150768393
Energy: -2.0763044007956273
Energy: -1.9271702627129916
Energy: -2.0763043988252687

minimum gb energy = -2.4075614776623215 eV
minimum distance =  2.23771025544526 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: -1.6504540455124563
Energy: -2.2742897495175303
Energy: -2.182016861255957
Energy: -2.152242448915039
Energy: -1.5259979865710176
Energy: -2.6354803039346284
Energy: -2.232481542728918
Energy: -2.693629304003154
Energy: -1.6857868204053388
Energy: -2.747598557707585
Energy: -2.5120096712509654
Energy: -2.7475985334589224
Energy: -1.629501154133234
Energy: -2.4961971813827684
Energy: -1.5587515828020597
Energy: -2.496084382638664
Energy: -1.4143426920834652
Energy: -2.217837794290922
Energy: -1.8185638370036672
Energy: -2.205445672385889
Energy: -1.9070930106492612
Energy: -0.7828189141542718
Energy: -1.1946404968241147
Energy: -1.4826361033491502
Energy: -2.036130524901326
Energy: 0.3900712956492553
Energy: -2.138566083868786
Energy: 0.39007129565120385
Energy: -2.0436618211660766
Energy: -1.7518301958028142
Energy: -2.039595697785347
Energy: -2.2903975702510695
Energy: -1.7682983759614754
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Energy: -2.5693680536090575
Energy: -1.9565412848305699
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Energy: -2.742144732947527
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Energy: -1.6007087716430481
Energy: -2.6706457906416405
Energy: -1.959697539014959
Energy: -2.670641425098198
Energy: -2.3142189164577824
Energy: -2.456154412433009
Energy: -1.6203337984647364
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Energy: -2.7473419060127777
Energy: -1.4990338487399273
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Energy: -1.9255904151315717
Energy: -1.0948249673120525
Energy: -1.952535361208403
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Energy: -1.821742379144914
Energy: 0.5005242694368677
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Energy: -1.868725725111923
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Energy: -1.876828711870458
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Energy: -0.901171280482181
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Energy: -1.8275243782434893
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Energy: -1.5695364190536945
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Energy: -1.9897729078840132
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Energy: -1.8550078942428845
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Energy: -2.2783148189270315
Energy: -2.6255992758409454
Energy: -1.67257905159554
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Energy: -1.785349666679541
Energy: -2.484686402424809
Energy: -2.0341741707100174
Energy: -2.484689443386853
Energy: -1.6892113043344756
Energy: -2.6584084476540104
Energy: -1.09847427862864
Energy: -2.658409293596593
Energy: -1.5627462641461176
Energy: -2.7634289637513523
Energy: -2.375432790917514
Energy: -2.760581544379024
Energy: -1.3735460872643905
Energy: -2.45577338530336
Energy: -1.547589274048447
Energy: -2.4557734661543793
Energy: -1.769242518254855
Energy: -2.8517951850408756
Energy: -2.6186902728606674
Energy: -2.851814675169299
Energy: -1.4095733792336402
Energy: -2.6248926239125057
Energy: -2.5795907358245764
Energy: -2.625767196660677

minimum gb energy = -2.8526491343622284 eV
minimum distance =  2.23593194324215 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: -0.266091482443266
Energy: -1.0643107584927092
Energy: -1.0567065689682245
Energy: -1.5801384034715633
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Energy: -1.0703150570593278
Energy: -1.2040878666778605
Energy: -0.7183819286686313
Energy: -0.9366801662513459
Energy: -0.5430265039443118
Energy: -0.7684753277885306
Energy: -0.7649434864776565
Energy: -0.9467058699059582
Energy: -1.228381436224853
Energy: -0.9559860884280424
Energy: -0.49232481899154384
Energy: -0.7347212002502956
Energy: -1.0821554261999144
Energy: -0.7217471088492243
Energy: -0.5113599024366965
Energy: -1.6231905139039458
Energy: -1.2230209886108976
Energy: -1.6232581079365624
Energy: -0.4629702156849229
Energy: 0.2451790576387506
Energy: -1.3471590435638965
Energy: 0.24517905774573162
Energy: -0.2514220072720626
Energy: -1.55140678360846
Energy: -1.1453084779555085
Energy: -1.5514067819096433
Energy: -0.3331789840554184
Energy: -1.496688813621413
Energy: -1.556934727013635
Energy: -1.4966888133714236
Energy: -0.6222436804617344
Energy: -1.2411066062134068
Energy: -1.278155243632795
Energy: -1.241106606137946
Energy: -0.9298006767486373
Energy: -1.5396949359524517
Energy: -1.5945391248480334
Energy: -1.539694890246904

minimum gb energy = -1.6608505921589205 eV
minimum distance =  2.25259157603537 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.01705158294273416
Energy: 0.017694868270415717
Energy: 1.2469082892123808
Energy: 0.25227197958983916
Energy: -1.6288640036290851
Energy: -2.589751240666691
Energy: -2.1541018087707524
Energy: -2.7812648701532043
Energy: -1.7959478973986347
Energy: -3.1146891767856393
Energy: -3.186764975797725
Energy: -3.048308720794908
Energy: 0.018190561698540005
Energy: -1.440490479586425
Energy: -1.9541291073556282
Energy: -1.4404756421948968
Energy: -3.3227170474851384
Energy: -3.128686661044048
Energy: -2.3595975820824866
Energy: -4.049619439199131
Energy: -1.8518589702073387
Energy: -2.0844736260424344
Energy: -2.2472056905540727
Energy: -2.102851891602341

minimum gb energy = -4.049619439199131 eV
minimum distance =  2.41510591577055 Angstroms
sigma value = 1