Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Mo__MO_534363225491_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1435002833604813
cohesive_energy=6.694239684074787
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01712867504201739
Energy: 0.017630217430267898
Energy: 3.775747368232483
Energy: 0.017630217430267898
Energy: 0.017630217430267898
Energy: 0.01739592971743761
Energy: 0.15740968435142172
Energy: 0.01739592971743761
Energy: 3.7580955490461183
Energy: 0.15740968435142172
Energy: 0.15726301150494526
Energy: 0.15740968435059222
Energy: 0.017630217430267898
Energy: 0.01739592971743761
Energy: 0.15740968435059222
Energy: 0.01739592971743761

minimum gb energy = 0.01712867504201739 eV
minimum distance =  2.72019829508025 Angstroms
sigma value = 1


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

Energy: 1.6407916965352296
Energy: 0.8797970037101029
Energy: 0.9183002236180684
Energy: 0.8797467534843174
Energy: 1.8572065789173706
Energy: 0.9006693503305733
Energy: 0.9274354807974067
Energy: 0.9006693502511463
Energy: 2.198419165151692
Energy: 0.8912747851734776
Energy: 0.918539970198923
Energy: 0.8912747847019001
Energy: 1.425330728154591
Energy: 0.9254174381158481
Energy: 0.9143040254640484
Energy: 0.9254174381158481
Energy: 1.4628841716290752
Energy: 0.9265020959627324
Energy: 1.384531126077675
Energy: 0.9265020959617262
Energy: 1.8862281708867592
Energy: 0.9103212965760664
Energy: 0.9102175151127793
Energy: 0.9103212965720424
Energy: 1.1622202108874748
Energy: 1.0280869379349553
Energy: 0.8721269944856429
Energy: 1.0280869379309314
Energy: 0.9063582810211963
Energy: 0.9024247034427313
Energy: 1.4184071949209867
Energy: 0.9024247034447431
Energy: 1.1257256699434466
Energy: 0.8453088016953821
Energy: 1.4754101583287507
Energy: 0.8453088020191712
Energy: 1.8934409929062759
Energy: 0.8958992360006746
Energy: 1.1776697910859908
Energy: 0.8958992359986625
Energy: 0.9301146156966733
Energy: 1.0543707555262267
Energy: 1.462914072422514
Energy: 1.0543707555312567
Energy: 0.9247184388732133
Energy: 0.8921214149161983
Energy: 2.724487710682559
Energy: 0.8921214164023548
Energy: 1.1352007383719473
Energy: 1.0722418771189035
Energy: 1.4050724646851176
Energy: 1.0722418771199094
Energy: 0.8267195479966796
Energy: 0.9290273075706645
Energy: 1.417133284041311
Energy: 0.9290273075716705
Energy: 0.7625709555619532
Energy: 0.9083099947170865
Energy: 1.9229490462331065
Energy: 0.9083099947211103
Energy: 0.822696568362169
Energy: 0.9013003242862723
Energy: 1.8863958165126433
Energy: 0.9013003243365256
Energy: 0.9103220354739683
Energy: 0.9690415946093295
Energy: 1.4393043635970972
Energy: 0.9690415942061134
Energy: 1.1901980870161475
Energy: 1.0638441009769044
Energy: 1.448687975959198
Energy: 1.0638441009678505
Energy: 0.9002979760603876
Energy: 0.9313627905481735
Energy: 2.4102459717005376
Energy: 0.9313627905481735
Energy: 0.9021490159387354
Energy: 1.0515903733357117
Energy: 1.149957788354385
Energy: 1.0515903733286698
Energy: 1.8569343303926233
Energy: 0.8310967614216146
Energy: 1.165401941302982
Energy: 0.8310967557473696
Energy: 1.1465447424068775
Energy: 0.9094292728447719
Energy: 1.42636665641858
Energy: 0.9094292728538258
Energy: 1.142544713169289
Energy: 0.8733081413832642
Energy: 1.1964769967239648
Energy: 0.8733078046855411
Energy: 1.478025075843655
Energy: 1.025950504426807
Energy: 0.9034489720181089
Energy: 1.025950504426807
Energy: 1.7836252364498193
Energy: 0.8180180734160187
Energy: 0.8808374292740484
Energy: 0.8180180767544178
Energy: 1.4627128561004459
Energy: 0.9235528822825281
Energy: 1.3931232694248128
Energy: 0.9235528822805161
Energy: 1.5413748810579313
Energy: 0.9141149077653236
Energy: 0.8691411093352862
Energy: 0.9141149077733716
Energy: 2.4431901105838922
Energy: 0.9107505417260662
Energy: 0.8748666247645377
Energy: 0.9107505417250602
Energy: 1.805005662350724
Energy: 0.9116390557587677
Energy: 0.8663091729815818
Energy: 0.9116390557577616
Energy: 1.4762480295794775
Energy: 0.9691894744040294
Energy: 0.8801159797166886
Energy: 0.96918947695607
Energy: 1.8530101355220796
Energy: 0.8826412660110121
Energy: 0.9265384300593245
Energy: 0.8826412664956672
Energy: 1.8414301931924222
Energy: 0.9188178096695523
Energy: 0.8966569550614418
Energy: 0.9188178097369075
Energy: 1.4066727455454204
Energy: 0.9192293740026045
Energy: 0.9277193213561468
Energy: 0.9192293740046165

minimum gb energy = 0.7625709555619532 eV
minimum distance =  2.59416718839282 Angstroms
sigma value = 1


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

Energy: 2.035187549587422
Energy: 0.8310989717933672
Energy: 0.9775271091164167
Energy: 0.8322080825303954
Energy: 1.748346141084202
Energy: 0.9574043738959419
Energy: 1.0506357951124579
Energy: 0.9574043804343443
Energy: 1.6143929222615636
Energy: 1.0089396813443117
Energy: 0.918160784451707
Energy: 1.0089396813488996
Energy: 0.9770309022496966
Energy: 1.0980197620096006
Energy: 1.0153142547740834
Energy: 1.0980197647680754
Energy: 1.014046273890255
Energy: 0.8915315123592896
Energy: 1.7101330711984228
Energy: 0.8915313281818106
Energy: 1.6111419228389467
Energy: 0.9901031160297523
Energy: 0.9940213806561591
Energy: 0.9901031183044032
Energy: 1.0062692722600555
Energy: 1.1197898905472288
Energy: 0.9206401830375518
Energy: 1.119789890489931
Energy: 1.049934020599079
Energy: 0.9513090124533895
Energy: 1.6996791643177764
Energy: 0.9513090126070348
Energy: 1.0106056236585528
Energy: 0.8608204460080902
Energy: 1.6759856971466558
Energy: 0.8608175328075924
Energy: 0.7983106908900357
Energy: 0.924879817950481
Energy: 1.002108853823554
Energy: 0.9400169056935583
Energy: 1.0397822568648
Energy: 1.015592814202726
Energy: 1.482003345858892
Energy: 1.0155928140548156
Energy: 0.9465043681831448
Energy: 0.9014178632896841
Energy: 2.7275397355755038
Energy: 0.9014091251155766
Energy: 0.828754785011587
Energy: 1.129297736614594
Energy: 1.6602945947117798
Energy: 1.1292977364529198
Energy: 0.8290374010979276
Energy: 0.9400748114411841
Energy: 1.6736471905076327
Energy: 0.9317346706372758
Energy: 1.0371054274990796
Energy: 0.8201595320569702
Energy: 2.72788253158543
Energy: 0.8201511984002803
Energy: 1.0064230048443596
Energy: 0.9557158261844678
Energy: 1.568573531646506
Energy: 0.9557154607415774
Energy: 0.7983107504236469
Energy: 0.9633007316946942
Energy: 0.9270362077944043
Energy: 0.9633007317302511
Energy: 1.0238325483126964
Energy: 0.9703138152000585
Energy: 1.6330079081754132
Energy: 0.9703138151885884
Energy: 1.0250006580695359
Energy: 0.9263766176337324
Energy: 1.6996791647213108
Energy: 0.9263766161410205
Energy: 0.9514429399509907
Energy: 1.1013173786904307
Energy: 0.9298631754178899
Energy: 1.1013173787099295
Energy: 1.6799378594798333
Energy: 0.9702306369355397
Energy: 0.8233837213409206
Energy: 0.9702301411278746
Energy: 0.9203397412626356
Energy: 1.033415084075562
Energy: 1.7101330711926879
Energy: 1.033415084075562
Energy: 0.9879282659554397
Energy: 1.1295424111092645
Energy: 1.0153142599664853
Energy: 1.1295424111069705
Energy: 1.655926568900031
Energy: 0.9839419779568885
Energy: 1.0029926585023456
Energy: 0.9839419779236257
Energy: 1.7118060340011696
Energy: 0.9716765317134428
Energy: 1.050635795121634
Energy: 0.9716765174351069
Energy: 2.035187549641279
Energy: 0.8323183536148739
Energy: 0.9775782667617005
Energy: 0.8300276907782431
Energy: 1.748346141084202
Energy: 0.957404379809544
Energy: 1.050635795106723
Energy: 0.9574043766624457
Energy: 1.6143929170954907
Energy: 1.0089396813477527
Energy: 0.9181607850455907
Energy: 1.0089396813454585
Energy: 0.9770309022679964
Energy: 1.0980197652782804
Energy: 1.015314252205958
Energy: 1.098019765616488

minimum gb energy = 0.7983106908900357 eV
minimum distance =  2.59027101708934 Angstroms
sigma value = 25


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

Energy: 1.4993632632599438
Energy: 1.4269556852989629
Energy: 0.589440722033909
Energy: 1.4206579365301315
Energy: 1.9627734818033888
Energy: 0.9675317379989925
Energy: 0.7348550796521323
Energy: 0.9675318079971207
Energy: 1.9817116705025597
Energy: 0.6107454711711524
Energy: 0.6442655727737594
Energy: 0.8813930788365405
Energy: 1.2498160392760287
Energy: 0.9118331652757538
Energy: 0.9197616443788788
Energy: 0.7718972913394241
Energy: 1.3467492962895018
Energy: 0.880177163791558
Energy: 1.287661318207163
Energy: 0.7608257891493976
Energy: 1.888263673207553
Energy: 0.321365914483001
Energy: 0.9083820485987247
Energy: 0.9188274017474772
Energy: 0.9080386420022407
Energy: 0.9345642293437415
Energy: 0.7877096950062367
Energy: 0.9345638462458885
Energy: -1.1259585472569194
Energy: 0.9154624985707188
Energy: 1.9536949674007071
Energy: 0.91165423456511
Energy: 0.8698921012013391
Energy: 0.9462395612051961
Energy: 1.3312290055287757
Energy: 0.772806923754724
Energy: 0.9117707483654166
Energy: -1.580347688281329
Energy: 1.2556394869424656
Energy: -1.7834758995161004
Energy: 0.8124079682013929
Energy: 0.6505059455732172
Energy: 1.945977336652638
Energy: 0.684937046691688
Energy: 1.1795832346002342
Energy: 0.37172483001398854
Energy: 1.8890705296692585
Energy: 0.7708980195484083
Energy: 0.6588092393253343
Energy: -1.638353440100164
Energy: 1.4269824466571912
Energy: -1.9869284818080268
Energy: 0.9488153815592699
Energy: -1.1114362944003284
Energy: 1.4881162404720198
Energy: -0.9206346389209029
Energy: 0.9206812278582519
Energy: 0.09666782856342714
Energy: 1.9259403528325278
Energy: 0.7244863838911819
Energy: 0.9138977376385035
Energy: 0.7500605897818298
Energy: 0.6906343645933379
Energy: 0.837682358631794
Energy: 2.3047737573475366
Energy: 0.9660768948952839
Energy: 0.7425461339459509
Energy: 0.9660768307000145
Energy: 1.4281791237586536
Energy: 0.9377455514157539
Energy: 1.2513008768128713
Energy: 0.9378061724590304
Energy: 0.7028139401732368
Energy: 0.8368788013275996
Energy: 0.7726779795882306
Energy: 0.5990486084434009
Energy: 1.2161059659559366
Energy: 0.8728172471313623
Energy: 0.9284714709737751
Energy: 0.9217481192712642
Energy: 1.9534614406945237
Energy: 0.7584447334446657
Energy: 0.7754605276906356
Energy: 0.9569240445490129
Energy: 1.3431786249286068
Energy: -1.6226469101610108
Energy: 0.896980506427947
Energy: -1.6054050601564094
Energy: 1.9142773107999336
Energy: -1.5478007643347047
Energy: 0.8418077068960917
Energy: -1.3766050971228345
Energy: 1.9568315805923215
Energy: -0.8683768212805921
Energy: 0.955100668288939
Energy: 0.4476731787746679
Energy: 1.3741911814484327
Energy: 0.7204191781091814
Energy: -0.33240302271012967
Energy: 0.3894596797161427

minimum gb energy = -1.9869284818080268 eV
minimum distance =  2.61305404818771 Angstroms
sigma value = 9


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

Energy: -0.41783079168151915
Energy: -0.5188249217469444
Energy: 0.43859899587333145
Energy: -0.40974599440391546
Energy: 1.0346700754093408
Energy: -0.5057421427615982
Energy: -0.39529603618720927
Energy: -0.4796672450583793
Energy: -0.48787679365032766
Energy: 1.201636274185896
Energy: 1.327492572139371
Energy: 1.3252239082702437
Energy: -0.5874912463925972
Energy: -0.5623814277582295
Energy: -0.5964515338120214
Energy: -0.36637960150204313
Energy: -0.3991634899886697
Energy: -0.4864218862475327
Energy: 1.2774777472882608
Energy: -0.5351923262933126
Energy: 1.4658267386109838
Energy: -0.41432955407806554
Energy: -0.49880336930159225
Energy: -0.4343620493687422
Energy: -0.530668535483928
Energy: -0.5354968226128245
Energy: -0.3595620488899156
Energy: -0.5881891066373328
Energy: 1.146820011601158
Energy: 1.0660583886127486
Energy: 0.529783121589292
Energy: 1.3197539861686443
Energy: 1.2196934837928666
Energy: -0.4797826011554835
Energy: -0.4665856385656165
Energy: -0.42040697537429655
Energy: 1.2691714366071751
Energy: -0.459925853397911
Energy: -0.5028990900463869
Energy: -0.40570780465047057
Energy: -0.4167220540481773
Energy: -0.4426520824680904
Energy: 1.2190114187534176
Energy: -0.4741948337836694
Energy: 1.0663754980003384
Energy: 0.25346415758011803
Energy: 1.6929607121188506
Energy: 0.37882568431914143
Energy: 1.310828092143794
Energy: -0.3327081838646281
Energy: -0.4614703393824857
Energy: -0.361191471465718
Energy: 1.284580835059573
Energy: -0.4603741864071861
Energy: 1.2470968032032321
Energy: -0.19440155378510832
Energy: -0.49756808337197117
Energy: -0.49421756681301393
Energy: 1.2747358352468936
Energy: -0.47979580228803337
Energy: 1.6911431529543064
Energy: 0.21887539928479016
Energy: 1.1159204280843678
Energy: 0.49793211079287
Energy: 1.0985959646748298
Energy: -0.3086569532782236
Energy: -0.38134540024910557
Energy: -0.3844976298065144
Energy: -0.4699519520404401
Energy: -0.419218474831204
Energy: 1.2317853872107178
Energy: -0.4688388809193934
Energy: -0.5448341140002442
Energy: -0.3207024028447982
Energy: 1.1304218203412792
Energy: -0.45226188797733724
Energy: 1.0506705502139748
Energy: 1.187781874678711
Energy: 0.8393939889380836
Energy: 1.2854291993238989
Energy: -0.5469210698549423
Energy: -0.5156354254133614
Energy: -0.5527717372745377
Energy: -0.47900953246794364

minimum gb energy = -0.5964515338120214 eV
minimum distance =  2.58088499351234 Angstroms
sigma value = 25


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

Energy: 1.281499267716578
Energy: 1.495505451227239
Energy: 2.0094447822124084
Energy: 1.6606297596426567
Energy: 1.9758115261542457
Energy: 1.7768763175182927
Energy: 1.973689694583208
Energy: 1.7768763175202598
Energy: 1.726017735573444
Energy: 1.835603054047645
Energy: 1.8399671995971454
Energy: 1.835603054045678
Energy: 1.67858992867943
Energy: 1.8043408013555768
Energy: 1.826893027096475
Energy: 1.8043406436026226
Energy: 1.7943530987342866
Energy: 1.779752173688066
Energy: 2.080193039284233
Energy: 1.7797521736841317
Energy: 2.362085630118729
Energy: 1.5994604629992817
Energy: 1.6375948901892523
Energy: 1.5994604971798982
Energy: 2.0707407279173924
Energy: 1.8447046859878173
Energy: 1.5016139378247415
Energy: 1.8447046859917513
Energy: 1.8198757735265663
Energy: 1.948341783222778
Energy: 2.138269255710052
Energy: 1.9483417832208112
Energy: 2.0697599199483716
Energy: 1.634797847680602
Energy: 1.6292561819131635
Energy: 1.6347978476943719
Energy: 1.685075935467917
Energy: 1.5845977248418457
Energy: 1.631379615803458
Energy: 1.5846468468425652
Energy: 1.7798293166754944
Energy: 1.8512861715849172
Energy: 2.0432600577804556
Energy: 1.8512861715868842
Energy: 1.8280506122461986
Energy: 1.6237093780857603
Energy: 1.7810547699909776
Energy: 1.6237093781113323
Energy: 1.6695415922873866
Energy: 1.8517310718193858
Energy: 1.8407351872068674
Energy: 1.851731071821353
Energy: 1.8172273893330297
Energy: 1.635804129416607
Energy: 2.0045931961781887
Energy: 1.6358041294421795
Energy: 1.7212035211885344
Energy: 1.625480689587508
Energy: 2.0117408206156844
Energy: 1.6254806896248828
Energy: 1.9236408780564433
Energy: 1.682923894831397
Energy: 1.792367419928266
Energy: 1.6829238765672543
Energy: 1.705400174440243
Energy: 1.6138983685307335
Energy: 1.8589290805071792
Energy: 1.6138983681079893

minimum gb energy = 1.281499267716578 eV
minimum distance =  2.57578903363625 Angstroms
sigma value = 17


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

Energy: 1.9627980949324906
Energy: 1.8648061961807636
Energy: 2.10758329500661
Energy: 1.8648061961818772
Energy: 1.8427155511368347
Energy: 2.0136676138345155
Energy: 1.9079616971424203
Energy: 2.0136676137732925
Energy: 1.7699377127337859
Energy: 2.12635409018176
Energy: 1.9734014279218617
Energy: 2.12635409018176
Energy: 2.0888692385899477
Energy: 2.057114199712781
Energy: 1.9098636388222952
Energy: 2.0571141997138946
Energy: 1.7705892848932425
Energy: 2.085278389389964
Energy: 1.95146817489223
Energy: 2.085278389389964
Energy: 2.4391966729728365
Energy: 1.9458476800383468
Energy: 1.8827015125418114
Energy: 1.9458476800383468
Energy: 2.029272227823343
Energy: 2.039543483482547
Energy: 1.989514547336596
Energy: 2.039543483482547
Energy: 2.0335930400987543
Energy: 2.051372379459313
Energy: 2.204493887419617
Energy: 2.051372379458199
Energy: 2.0032244831360244
Energy: 2.0803930617365816
Energy: 1.9539570108770226
Energy: 2.0803930617365816
Energy: 2.04205090824528
Energy: 2.1051309287461173
Energy: 1.576708949466229
Energy: 2.1051309287505733
Energy: 2.003694259699046
Energy: 1.9855800874787526
Energy: 2.1159476989195665
Energy: 1.985580087487665
Energy: 1.772283377569144
Energy: 2.085181373753436
Energy: 1.880946248427913
Energy: 2.0851813737512077
Energy: 2.0676669883731305
Energy: 2.2209462883442255
Energy: 1.8798205696892396
Energy: 2.2209462883464535
Energy: 1.9935160423812621
Energy: 1.9898606195777424
Energy: 2.090448163757092
Energy: 1.9898606195788564
Energy: 2.002868049948753
Energy: 2.0293120381535794
Energy: 2.1547371694045783
Energy: 2.029312038151351
Energy: 2.1152750065949193
Energy: 2.0812982057277276
Energy: 1.9531033896128094
Energy: 2.0812982057310694
Energy: 1.986622267053136
Energy: 2.086863283034819
Energy: 2.0810116601748425
Energy: 2.0868632830359335
Energy: 2.140609525356804
Energy: 2.2078573221346685
Energy: 1.8567307936050335
Energy: 2.207857322133554
Energy: 1.9725623646858275
Energy: 2.095215657583726
Energy: 1.9780872482757843
Energy: 2.095215657585954
Energy: 2.1975621537480814
Energy: 1.955185852162252
Energy: 2.0668254878463292
Energy: 1.955185852162252
Energy: 2.039300862975727
Energy: 2.132220052777484
Energy: 2.137934143476685
Energy: 2.13222005277637
Energy: 2.0348579360779326
Energy: 2.0865456328741354
Energy: 2.0888841345701983
Energy: 2.0865456328741354
Energy: 1.952427065116948
Energy: 2.1116865935767044
Energy: 2.117419082749733
Energy: 2.111686593584503
Energy: 1.9643890981273668
Energy: 1.952183675606941
Energy: 1.8623098166922252
Energy: 1.9521836756058273
Energy: 1.95682839797467
Energy: 1.9591693994661306
Energy: 1.8579633738819121
Energy: 1.9591693994650163
Energy: 1.9156683378458579
Energy: 2.1076805540526458
Energy: 1.9611508105949396
Energy: 2.1076805540559875
Energy: 1.8884673822130642
Energy: 2.0830477975470303
Energy: 2.103047761609292
Energy: 2.083047797548144
Energy: 2.072244274096349
Energy: 2.0457300591079046
Energy: 2.086259042698271
Energy: 2.045730059111247
Energy: 1.748963434392368
Energy: 2.0942302267296697
Energy: 2.0753024935933686
Energy: 2.0942302267218706
Energy: 2.1012284343489327
Energy: 1.949589291114558
Energy: 1.8555173605721886
Energy: 1.9495892911011894

minimum gb energy = 1.576708949466229 eV
minimum distance =  2.58393344760395 Angstroms
sigma value = 53


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

Energy: 2.432349008324066
Energy: 2.420792035919103
Energy: 2.1458253222897894
Energy: 2.420792035921668
Energy: 1.4052264342807343
Energy: 2.293951773587615
Energy: 1.480157452461016
Energy: 2.2939517735850505
Energy: 1.5101594332143302
Energy: 1.6183712913002002
Energy: 1.4802283678878727
Energy: 1.6183713331949552
Energy: 1.3079284495090926
Energy: 1.2308372202684215
Energy: 1.4188291680382366
Energy: 1.4590397015929555
Energy: 1.506573680044131
Energy: 2.296230183404373
Energy: 1.5985652519545426
Energy: 2.2962301833992433
Energy: 4.030181493814785
Energy: 2.420792035921668
Energy: 2.432349008324066
Energy: 2.420792035921668
Energy: 1.3615834410537153
Energy: 2.2939517735850505
Energy: 1.3256652805600273
Energy: 2.2939517735850505
Energy: 1.2019400249597405
Energy: 1.6183706209510722
Energy: 1.345130639355881
Energy: 1.6183702021113022
Energy: 1.3316049009155486
Energy: 1.3866850580019272
Energy: 1.5299755178765244
Energy: 1.4494530129143066
Energy: 1.5985668870235359
Energy: 2.296230183404373
Energy: 1.4719452960072907
Energy: 2.296230183401808
Energy: 2.432349008324066
Energy: 2.420792035921668
Energy: 2.1458313231000212
Energy: 2.420792035921668
Energy: 1.0023966021968933
Energy: 2.2939517735850505
Energy: 1.4283003026461265
Energy: 2.2939517735850505
Energy: 1.340668070430156
Energy: 1.6183705421708936
Energy: 1.4715922886208201
Energy: 1.6183708597064492

minimum gb energy = 1.0023966021968933 eV
minimum distance =  2.63315108611303 Angstroms
sigma value = 9


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

Energy: 2.4089204740038612
Energy: 2.0690062146547903
Energy: 2.288335220633006
Energy: 2.0690062146576382
Energy: 1.9094708887600722
Energy: 1.983059953152975
Energy: 2.0978385461245748
Energy: 1.9830599531520259
Energy: 2.051386815501424
Energy: 2.145553269193399
Energy: 2.184096105647101
Energy: 2.1455532691952977
Energy: 2.1082804981280923
Energy: 2.240198545707576
Energy: 2.053610123070633
Energy: 2.240198545710424
Energy: 2.0584749715594373
Energy: 2.0887825830246727
Energy: 1.9974469137084454
Energy: 2.0887825830246727
Energy: 2.5264792741623987
Energy: 2.1618748853299565
Energy: 2.4720243298847864
Energy: 2.161874885346094
Energy: 1.9242318474746047
Energy: 2.1039018206846536
Energy: 2.0538852738112445
Energy: 2.103901820686552
Energy: 2.131221977760959
Energy: 2.228202578823901
Energy: 2.0590735885139884
Energy: 2.2282025788248503
Energy: 2.01518895283282
Energy: 2.127217040047771
Energy: 2.1744998237578352
Energy: 2.1272170400468213
Energy: 1.8927314405622127
Energy: 2.0321351706909017
Energy: 2.165152308674635
Energy: 2.0321351706909017
Energy: 2.165560701006471
Energy: 1.9855650993407299
Energy: 2.148421921173449
Energy: 1.9855650993502225
Energy: 2.1428444242652174
Energy: 2.192950842908038
Energy: 1.7632553392249237
Energy: 2.1929508429061397
Energy: 2.133233760261421
Energy: 1.9902759056375867
Energy: 1.969850453335986
Energy: 1.990275905638536
Energy: 2.0847798082277302
Energy: 2.1410400777152994
Energy: 1.880776319035194
Energy: 2.141040077717198
Energy: 2.0906156994518854
Energy: 2.213093055021899
Energy: 1.8727924526208282
Energy: 2.2130930550200003
Energy: 2.1084599038626513
Energy: 1.9945560945401355
Energy: 1.9800142432624104
Energy: 1.994556094542034
Energy: 2.071917139411015
Energy: 2.0402553513043764
Energy: 2.437090599570176
Energy: 2.0402553513015285
Energy: 2.1394533888919893
Energy: 1.9529137805041261
Energy: 2.1207380777671907
Energy: 1.9529137805069738
Energy: 2.155984249397451
Energy: 2.1173669011697354
Energy: 2.036685675111051
Energy: 2.1173669011697354
Energy: 1.999994412100641
Energy: 1.9962350146554662
Energy: 2.165023200123195
Energy: 1.9962350146554662
Energy: 1.8316279454900337
Energy: 2.054425590211231
Energy: 2.4129768898078994
Energy: 2.054425590211231
Energy: 1.8439755642806668
Energy: 1.831953789030624
Energy: 1.9605055158785551
Energy: 1.8319537890325224
Energy: 2.069582133154234
Energy: 1.9439663627896333
Energy: 2.0835317364003427
Energy: 1.9439663627867854
Energy: 2.081322305592483
Energy: 2.050155681743523
Energy: 2.103445758436824
Energy: 2.050155681742574
Energy: 2.0552687073440015
Energy: 2.0506301390044515
Energy: 1.9165065178177254
Energy: 2.0506301390073
Energy: 2.0927793188852606
Energy: 2.21327362647066
Energy: 1.9205949186249198
Energy: 2.213273626464964
Energy: 2.0670484887742995
Energy: 1.7992821167131012
Energy: 2.1371699605651235
Energy: 1.799282116709304
Energy: 2.290634015896483
Energy: 1.798760206357362
Energy: 2.006941897270757
Energy: 1.798760206357362
Energy: 1.9825331611646295
Energy: 2.2203128894224373
Energy: 1.9306389103371717
Energy: 2.2203128894186404
Energy: 2.035961204522053
Energy: 2.0493549727474334
Energy: 1.913870560293525
Energy: 2.0493549727502804
Energy: 1.998265334811488
Energy: 2.0538880107954034
Energy: 2.1520532987469836
Energy: 2.053888010797302
Energy: 2.1054456229976157
Energy: 1.8311913979706371
Energy: 2.0731838700613294
Energy: 1.8311913979639927
Energy: 2.331186411589997
Energy: 1.8358376538288605
Energy: 1.779009052819435
Energy: 1.8358376538279113
Energy: 1.834823300600737
Energy: 2.0758049803013385
Energy: 2.406223317687219
Energy: 2.0758049803041865
Energy: 1.9103657144632769
Energy: 1.998481252227804
Energy: 2.155417562291607
Energy: 1.9984812522297022

minimum gb energy = 1.7632553392249237 eV
minimum distance =  2.58292037714418 Angstroms
sigma value = 73


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

Energy: 2.468448710576764
Energy: 2.450500830841638
Energy: 2.4972207724251665
Energy: 2.450500830841638
Energy: 2.1262403267658407
Energy: 2.0727625773365084
Energy: 2.1989416168109246
Energy: 2.072762577027899
Energy: 2.0180404765478044
Energy: 2.3142389153255043
Energy: 2.016940642356805
Energy: 2.3142389153255043
Energy: 2.167589226388978
Energy: 2.068145884505483
Energy: 2.30989866446295
Energy: 2.068145884505483
Energy: 2.1929475444950417
Energy: 2.068891770325907
Energy: 1.6459784787857907
Energy: 2.068891770328919
Energy: 2.7097801966968915
Energy: 2.0704909145737793
Energy: 1.959239663842731
Energy: 2.0704909145752857
Energy: 1.8694076567187004
Energy: 1.9506545960867019
Energy: 1.4530005205424352
Energy: 1.9506578519611675
Energy: 2.06793164107988
Energy: 2.0700558302555887
Energy: 2.140941651913293
Energy: 2.0700558302540832
Energy: 1.9930081511819262
Energy: 2.307534032485352
Energy: 2.0750838141408185
Energy: 2.307534032480834
Energy: 1.9112657374920576
Energy: 2.312002971877812
Energy: 2.005434753310878
Energy: 2.3120029718763058
Energy: 2.0621279219644304
Energy: 2.0689973014364567
Energy: 2.6744422174761406
Energy: 2.0689973014349503
Energy: 2.277765764594658
Energy: 2.0688243319241915
Energy: 1.6106892233652133
Energy: 2.068824331925697
Energy: 2.2089307868708987
Energy: 2.067626773058717
Energy: 1.9448355105395219
Energy: 2.067626773058717
Energy: 1.9504299068979523
Energy: 2.174292155433514
Energy: 2.2525536601053693
Energy: 2.174292155433514
Energy: 2.164573874033735
Energy: 2.068563350241659
Energy: 2.305516957164932
Energy: 2.068563350241659
Energy: 2.3857217317202495
Energy: 2.3111094148406814
Energy: 1.8074267625201086
Energy: 2.3111094148376696
Energy: 2.1721762558529325
Energy: 1.853351609154272
Energy: 1.9243204394797504
Energy: 1.8533489914389407
Energy: 2.1512198950037513
Energy: 1.9219348999644446
Energy: 2.208767492917011
Energy: 1.9219348999614323
Energy: 2.3554002375929826
Energy: 2.3120325608753847
Energy: 2.3020842340981176
Energy: 2.3120325608738783
Energy: 2.151687663101257
Energy: 2.0684974009706605
Energy: 1.9423282278933582
Energy: 2.068497400969154
Energy: 2.0177053136505347
Energy: 1.998467315413122
Energy: 1.6438029525761586
Energy: 1.998467315462823
Energy: 2.1995163312219925
Energy: 2.070013832716408
Energy: 1.9093708791547932
Energy: 2.0700138327179136

minimum gb energy = 1.4530005205424352 eV
minimum distance =  2.58772925429131 Angstroms
sigma value = 7


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

Energy: 1.9602553320792913
Energy: 1.8156270809398476
Energy: 2.0523040479472376
Energy: 1.8156270809313277
Energy: 2.314382319488868
Energy: 1.8983074448804156
Energy: 2.1147600691971644
Energy: 1.898307444863425
Energy: 2.089358711680503
Energy: 2.2698255849923883
Energy: 2.2836138971325255
Energy: 2.269825584988128
Energy: 2.0376848433798247
Energy: 1.8876836667220551
Energy: 2.20107183168442
Energy: 1.8876836667231203
Energy: 2.1820045036614517
Energy: 2.0822185337347427
Energy: 1.9764963254832961
Energy: 2.0822185337347427
Energy: 2.323801263609123
Energy: 1.994745705851695
Energy: 2.015435587495445
Energy: 1.9947457058485
Energy: 1.934248123580659
Energy: 2.075255765904802
Energy: 2.5140973413305443
Energy: 2.075255765904802
Energy: 2.0161157431158268
Energy: 1.9954454268268107
Energy: 2.215335306683994
Energy: 1.9954454268300057
Energy: 2.202288966919235
Energy: 2.0763947061354413
Energy: 2.0078219913419977
Energy: 2.0763947061365062
Energy: 2.229307855093952
Energy: 1.8884036349430202
Energy: 2.020758972022455
Energy: 1.888403634938809
Energy: 2.1040082451254754
Energy: 2.118435085374593
Energy: 2.4062668219582797
Energy: 2.118435085374593
Energy: 2.4201849655128314
Energy: 1.8889637206116565
Energy: 2.3393164943974303
Energy: 1.8889637206095264
Energy: 2.4005949483438673
Energy: 1.8926632126782186
Energy: 2.0380099072378317
Energy: 1.8926632126792837
Energy: 2.2336798603421273
Energy: 2.113280551910353
Energy: 2.2141962148805483
Energy: 2.113280551908223
Energy: 2.1082293502647746
Energy: 1.89265456544796
Energy: 2.027626203462142
Energy: 1.8926545654468951
Energy: 2.2740801411512446
Energy: 2.369085716313533
Energy: 1.9835652157486077
Energy: 2.3690857163082084
Energy: 1.9811619088440902
Energy: 1.8751899106536505
Energy: 2.2279954627560117
Energy: 1.8751899106547156
Energy: 1.9766940243742779
Energy: 2.0821388832987275
Energy: 2.1144558928606454
Energy: 2.0821388832987275
Energy: 2.330258719838835
Energy: 1.8674953957845866
Energy: 1.9824905379805062
Energy: 1.867495395779262
Energy: 2.182392118316841
Energy: 2.0837447533548605
Energy: 1.8516594970790725
Energy: 2.083744753355926
Energy: 2.0287167945212214
Energy: 2.0760683236151234
Energy: 2.207170638503068
Energy: 2.076068323610863
Energy: 2.005538824424847
Energy: 2.1239898565828845
Energy: 2.271786420310968
Energy: 2.12398985658182
Energy: 1.8050282856303466
Energy: 2.127917600047468
Energy: 2.243053988836958
Energy: 2.127917600044273
Energy: 2.2905047728107593
Energy: 1.8099451832687854
Energy: 2.223533013650882
Energy: 1.8099451832645257
Energy: 2.294947059476603
Energy: 1.8108661556933745
Energy: 2.036088198526688
Energy: 1.8108661556955044
Energy: 2.1995353945706513
Energy: 2.2572590484812283
Energy: 2.271456340585093
Energy: 2.2572590484812283
Energy: 2.0476834709782405
Energy: 1.8853323780969027
Energy: 2.2124503256826027
Energy: 1.8853323780990325
Energy: 2.183574661565038
Energy: 2.081782200254626
Energy: 2.5078721489809297
Energy: 2.081782200254626
Energy: 2.158780690278058
Energy: 1.996347811348946
Energy: 2.0162074048947964
Energy: 1.9963478113500108
Energy: 2.3336296361701345
Energy: 1.996266578804912
Energy: 2.4716539964688584
Energy: 1.9962665787953275
Energy: 2.01644796906864
Energy: 1.9959011347449354
Energy: 2.2024879808756754
Energy: 1.9959011347491953

minimum gb energy = 1.8050282856303466 eV
minimum distance =  2.55575977776156 Angstroms
sigma value = 29


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

Energy: 1.272752173514531
Energy: 1.8148937198495594
Energy: 2.284845095806038
Energy: 1.8148937198499304
Energy: 2.446884541065034
Energy: 1.6312400743894753
Energy: 1.7689635979749767
Energy: 1.6312400503497768
Energy: 2.3056147774248705
Energy: 1.7315939605495076
Energy: 1.7248453807316697
Energy: 1.7315939605476942
Energy: 1.846999878529619
Energy: 1.7932249127111846
Energy: 1.6968488021992925
Energy: 1.7932249127079285
Energy: 1.84626461884705
Energy: 1.725967142608089
Energy: 1.7111218310710714
Energy: 1.7259671426070173
Energy: 2.26435929036732
Energy: 1.7299389430013292
Energy: 1.7239176220979053
Energy: 1.7299389430005874
Energy: 2.86286057167538
Energy: 1.7485575307473378
Energy: 2.212382812584779
Energy: 1.7485575307273886
Energy: 1.3125874426506294
Energy: 1.7309070031557472
Energy: 2.5574618709874604
Energy: 1.7309070031557472
Energy: 2.3216594279036973
Energy: 1.7824399032846392
Energy: 1.67920965766239
Energy: 1.78243990328534

minimum gb energy = 1.272752173514531 eV
minimum distance =  2.60258275343695 Angstroms
sigma value = 5


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

Energy: 1.8376359522632957
Energy: 1.4227505641399332
Energy: 2.2778653884643636
Energy: 1.4227505641409393
Energy: 1.952603634772883
Energy: 1.3466423630905808
Energy: 1.9513051185788575
Energy: 1.346642363086557
Energy: 1.586875059086329
Energy: 1.8273212675909087
Energy: 1.8222595840088158
Energy: 1.8273212676039867
Energy: 1.5938575943468312
Energy: 1.757127147987331
Energy: 2.142009708830466
Energy: 1.7571271479883368
Energy: 1.4763307953381521
Energy: 1.824280359594511
Energy: 1.6209209969183467
Energy: 1.8242803595985349
Energy: 2.1109330656227394
Energy: 1.9678636763268318
Energy: 1.625242273716803
Energy: 1.9678636763268318
Energy: 2.080396471953467
Energy: 1.7097945289183247
Energy: 1.871960033309915
Energy: 1.7097945289112828
Energy: 2.0772786641353447
Energy: 1.747391330836661
Energy: 1.8664313518631779
Energy: 1.7473913308357008
Energy: 2.2871264380708247
Energy: 1.5510071744049478
Energy: 1.9611259989431535
Energy: 1.5510071744069598
Energy: 2.185640540468069
Energy: 1.552429941916444
Energy: 1.9618489631060898
Energy: 1.5524299419174499
Energy: 1.8706571914107344
Energy: 1.7954133068252083
Energy: 1.843616463111971
Energy: 1.7954133068272202
Energy: 1.8720698544739443
Energy: 1.8201045031169956
Energy: 1.5097819935452503
Energy: 1.8201045031190075
Energy: 2.2859476284914053
Energy: 1.8999116463224284
Energy: 1.5092074509758477
Energy: 1.8999116463163928
Energy: 1.5818974380918127
Energy: 1.8242578124989526
Energy: 1.5105948268146239
Energy: 1.8242578124959348
Energy: 1.6880648280289838
Energy: 1.4707390528841349
Energy: 2.2492915311158033
Energy: 1.470739052882123
Energy: 2.175617449681694
Energy: 1.57719029299756
Energy: 1.9054746196329901
Energy: 1.57719029299756
Energy: 2.195770708252408
Energy: 1.5540046191544512
Energy: 1.9860296762550902
Energy: 1.5540046191554573
Energy: 1.6889721486276132
Energy: 1.7560909932555258
Energy: 1.87143406570406
Energy: 1.756090993251502
Energy: 2.08528205124038
Energy: 1.665028074160215
Energy: 1.6630986919376574
Energy: 1.6650280741582033
Energy: 1.7063692392959355
Energy: 1.854113645463562
Energy: 1.6380509009203832
Energy: 1.85411364546155
Energy: 1.7138019514236178
Energy: 1.7585526726060825
Energy: 2.0091819081436486
Energy: 1.7585526726050764
Energy: 1.7872738347320933
Energy: 1.8184538605310387
Energy: 1.8329960448615668
Energy: 1.8184538605310387
Energy: 1.5915877529494986
Energy: 1.8272899330729881
Energy: 1.8285052241501931
Energy: 1.827289933065946
Energy: 2.0750655773367885
Energy: 1.4036395896574998
Energy: 2.3796183377357027
Energy: 1.4036395896544815
Energy: 1.9434828331353355
Energy: 1.404701693483687
Energy: 2.4355814350243885
Energy: 1.404701693480669
Energy: 2.1056831597012624
Energy: 1.8254420320842852
Energy: 1.8312442837351406
Energy: 1.8254420320832792
Energy: 1.7027042518149915
Energy: 1.8192519595878518
Energy: 1.8308597067275225
Energy: 1.8192519595898637
Energy: 1.7050128130055546
Energy: 1.7569707012421538
Energy: 2.3811223890399518
Energy: 1.75697070124316
Energy: 1.7150889585159441
Energy: 1.8209140966640216
Energy: 1.6488681133790344
Energy: 1.8209140966599977
Energy: 2.051167946305814
Energy: 2.0896215473480906
Energy: 1.6797126506359155
Energy: 2.0896215473480906
Energy: 1.880712795532613
Energy: 1.7519601354140377
Energy: 1.8726286730253145
Energy: 1.7519601354140377
Energy: 1.7846580519917834
Energy: 1.4973038879445815
Energy: 2.1478380247185096
Energy: 1.4973038879445815
Energy: 2.468641543906221
Energy: 1.5544088913654537
Energy: 1.937802039226956
Energy: 1.5544088913634417

minimum gb energy = 1.346642363086557 eV
minimum distance =  2.55953716660759 Angstroms
sigma value = 1


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

Energy: 1.745611352801566
Energy: 1.6328290567855712
Energy: 2.0222886303668455
Energy: 1.6328290567730528
Energy: 1.283620962227855
Energy: 1.3201769324516908
Energy: 1.7718466316923376
Energy: 1.3201769324516908
Energy: 1.852719991989155
Energy: 1.946926791959151
Energy: 2.047434211343481
Energy: 1.946926874295302
Energy: 1.76483972842815
Energy: 1.9858314534405643
Energy: 2.0742758646889112
Energy: 1.9858314534405643
Energy: 1.265574785242981
Energy: 1.5933293714073455
Energy: 1.2660466563430464
Energy: 1.5933293695721296
Energy: 1.2621783528201636
Energy: 1.261598084583907
Energy: 1.2603711980158132
Energy: 1.261598084582516
Energy: 2.071695170618349
Energy: 1.986094755764269
Energy: 1.8377643225606963
Energy: 1.986094755764269
Energy: 2.076770231861474
Energy: 2.0143769688244517
Energy: 1.8517838800277542
Energy: 2.014376968823061
Energy: 2.523489767045953
Energy: 1.643412508164541
Energy: 1.72121788453375
Energy: 1.643412508167323
Energy: 2.5234897670445613
Energy: 1.6580554692177942
Energy: 1.6883836775027752
Energy: 1.6580554692164036
Energy: 2.07660169914291
Energy: 2.0143373818526022
Energy: 1.8517838800263635
Energy: 2.0143373818526022
Energy: 2.0737319013886495
Energy: 1.986689407865816
Energy: 1.837764322564869
Energy: 1.986689407864425
Energy: 1.261475656625068
Energy: 1.2473592157586686
Energy: 1.2598710934394048
Energy: 1.2473592157642324
Energy: 1.2607944530332007
Energy: 1.6280204159192613
Energy: 1.2445719458301339
Energy: 1.6280204157218428
Energy: 1.7648610143644523
Energy: 1.9881052777496173
Energy: 2.0742331086002546
Energy: 1.9881052777496173
Energy: 1.852719991990546
Energy: 1.9950402671124534
Energy: 2.009107582235361
Energy: 1.9950402671124534
Energy: 1.3318509198718365
Energy: 1.2789135590255325
Energy: 1.771882350648691
Energy: 1.27891355869882
Energy: 1.7456113843492993
Energy: 1.6328290567758348
Energy: 2.0222886310036423
Energy: 1.6328290567730528
Energy: 1.2836209626769384
Energy: 1.3201769324516908
Energy: 1.7718466316923376
Energy: 1.3201769324502999
Energy: 1.852719991989155
Energy: 1.9469268528273784
Energy: 2.04743421134209
Energy: 1.9469268669571884
Energy: 1.7648397284267592
Energy: 1.9858314534391737
Energy: 2.074275864690302
Energy: 1.9858314534405643
Energy: 1.265574785244372
Energy: 1.5933293699322246
Energy: 1.2660466563444375
Energy: 1.593329370967999
Energy: 1.2621783528201636
Energy: 1.2615980845852979
Energy: 1.2603711980158132
Energy: 1.261598084583907
Energy: 2.0716951706169575
Energy: 1.9860947557670507
Energy: 1.8377643225606963
Energy: 1.9860947557684419

minimum gb energy = 1.2445719458301339 eV
minimum distance =  2.55985271482866 Angstroms
sigma value = 17


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

Energy: 1.848474621869544
Energy: 1.3189083191611786
Energy: 2.315964294048359
Energy: 1.31890831915774
Energy: 1.6513731042151127
Energy: 1.3561531910333848
Energy: 1.8483236122706963
Energy: 1.3561531910437012
Energy: 1.4319420942580194
Energy: 1.832021906947326
Energy: 1.7435535942283622
Energy: 1.8320219069464667
Energy: 1.5377104644531077
Energy: 1.5861391809722076
Energy: 2.2115908806302915
Energy: 1.5861391809679093
Energy: 1.7760693429644114
Energy: 1.819964618290968
Energy: 1.763115877876207
Energy: 1.8199646182901081
Energy: 1.971913208950137
Energy: 1.7784663062245885
Energy: 1.763754438366173
Energy: 1.7784663062280273
Energy: 1.8405290961577008
Energy: 1.9580506625626417
Energy: 1.3251574949515803
Energy: 1.9580506625635015
Energy: 1.834607411404327
Energy: 1.953937982490061
Energy: 1.6140209309201439
Energy: 1.9539379824883414
Energy: 2.028348921446501
Energy: 1.4315362355747125
Energy: 1.9631306653192409
Energy: 1.431536235576432
Energy: 1.8345553809217219
Energy: 1.441530492075687
Energy: 1.9613144785946117
Energy: 1.4415304920679497
Energy: 1.8357691112171164
Energy: 1.5821091075705584
Energy: 1.616869595093883
Energy: 1.582109107573997
Energy: 1.8609156801240307
Energy: 1.5821607706660252
Energy: 1.6395481918503896
Energy: 1.5821607706625862
Energy: 1.8434953373865821
Energy: 1.9643219277875767
Energy: 1.960864506323796
Energy: 1.964321927789296
Energy: 1.5459662482541277
Energy: 1.8171260317497944
Energy: 1.9644820075814775
Energy: 1.8171260317463558
Energy: 1.5371029562521854
Energy: 1.9847725535361744
Energy: 1.9064608563542191
Energy: 1.9847725535318759
Energy: 1.5335817161219982
Energy: 1.9570274245801613
Energy: 1.63920713715675
Energy: 1.9570274245775825
Energy: 2.116748192182563
Energy: 1.4903933629320645
Energy: 1.5202447377374402
Energy: 1.4903933629260466
Energy: 1.862265709164631
Energy: 1.6810591368010088
Energy: 1.77268377192694
Energy: 1.6810591368010088
Energy: 1.7482787363562955
Energy: 1.2157102754008102
Energy: 1.6191275772618217
Energy: 1.2157102753973712
Energy: 2.085797821083308
Energy: 1.4456567943973453
Energy: 1.7349714176500521
Energy: 1.4456567944016439
Energy: 1.6132158213068626
Energy: 1.70076355037556
Energy: 1.9230837199376876
Energy: 1.70076355037556
Energy: 1.8207156031123528
Energy: 1.8225555554245676
Energy: 1.3308671692756775
Energy: 1.8225555554288664
Energy: 2.080670671624012
Energy: 1.7843781580427232
Energy: 1.8556814828981052
Energy: 1.7843781580427232
Energy: 1.7576636896305193
Energy: 1.959128361828746
Energy: 1.5223756724028026
Energy: 1.959128361827886
Energy: 1.743908946524286
Energy: 1.987688277072247
Energy: 2.0353860069085674
Energy: 1.9876882770662292
Energy: 1.426888496146731
Energy: 1.8221593891357402
Energy: 1.7050182312539337
Energy: 1.8221593891408987
Energy: 1.677854119569953
Energy: 1.8113620650483506
Energy: 1.9646909644001485
Energy: 1.8113620650509294
Energy: 1.7964865846065579
Energy: 1.2085232489916773
Energy: 2.2273985562870995
Energy: 1.2085232489916773
Energy: 1.7913781950154988
Energy: 1.2114784507612413
Energy: 2.027291104334618
Energy: 1.2114784507638203
Energy: 1.4217581460687818
Energy: 1.8180258760230947
Energy: 1.7194476605597004
Energy: 1.8180258760205155
Energy: 1.4240596646281392
Energy: 1.817597905838521
Energy: 1.9591001764603735
Energy: 1.8175979058359417
Energy: 1.7550703806045047
Energy: 1.9976592132562796
Energy: 1.7586489214137193
Energy: 1.9976592132588589
Energy: 1.7462344836678874
Energy: 1.9576100865558692
Energy: 1.5215221077585808
Energy: 1.9576100865567287
Energy: 2.0901881353059997
Energy: 1.9610307604190578
Energy: 1.3294601731061613
Energy: 1.9610307604207773
Energy: 1.828966923626475
Energy: 1.819139980325304
Energy: 1.6251852190027916
Energy: 1.8191399803244444
Energy: 1.7228212816057993
Energy: 1.3553501029153667
Energy: 1.9759185105387231
Energy: 1.3553501029188055
Energy: 2.389842269409334
Energy: 1.4347904189137726
Energy: 1.6996283942324675
Energy: 1.434790418904316
Energy: 1.7337999066068963
Energy: 1.2146260699373943
Energy: 1.7596461600302302
Energy: 1.214626069941693

minimum gb energy = 1.2085232489916773 eV
minimum distance =  2.56360266602043 Angstroms
sigma value = 89


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

Energy: 1.6265062344098669
Energy: 1.4584128902309574
Energy: 1.6613360345829427
Energy: 1.458412890228708
Energy: 1.287981306252339
Energy: 1.5960548149995493
Energy: 1.5592090024904095
Energy: 1.596054815039988
Energy: 1.6369545088126336
Energy: 1.4184017930414619
Energy: 1.3618360205417748
Energy: 1.4184017656643295
Energy: 1.7235552425342113
Energy: 1.6313609946575722
Energy: 2.053074637635657
Energy: 1.6313609946171335
Energy: 1.6753917017172917
Energy: 1.6948843253960426
Energy: 1.4411360379194023
Energy: 1.694884325393793
Energy: 1.6696668339242635
Energy: 2.11935975408391
Energy: 1.440557645182044
Energy: 2.11935975408391
Energy: 1.6978212124842171
Energy: 1.3726591705786189
Energy: 1.4436914858582726
Energy: 1.372659160842865
Energy: 1.7171494126632953
Energy: 1.6354479706779086
Energy: 2.1192871857517552
Energy: 1.6354479873726289
Energy: 1.6343448647649872
Energy: 1.701145666225027
Energy: 1.447542125185835
Energy: 1.701145666225027
Energy: 1.6858844245104465
Energy: 1.6888286502031296
Energy: 1.4854213929288065
Energy: 1.6888286502031296
Energy: 1.5500276222260625
Energy: 1.445196813323764
Energy: 2.1328990868653137
Energy: 1.4451968132765258
Energy: 1.4939794449802064
Energy: 1.407079714552199
Energy: 2.129772710614439
Energy: 1.4070798431071432
Energy: 1.6479761025777262
Energy: 1.6474757524774573
Energy: 1.3985233893326647
Energy: 1.6474757524774573
Energy: 1.6282034615166878
Energy: 1.6759019489928173
Energy: 1.4082332095867358
Energy: 1.6759019486533044
Energy: 1.7009748260155642
Energy: 1.6311961139430102
Energy: 2.1309612338630495
Energy: 1.6311961136034971

minimum gb energy = 1.287981306252339 eV
minimum distance =  2.54745732925818 Angstroms
sigma value = 13


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

Energy: 1.3750243149410761
Energy: 1.3872762804622776
Energy: 1.4482444269689576
Energy: 1.3872762804613348
Energy: 1.2984281294335676
Energy: 1.3911154820235638
Energy: 1.4397046767066912
Energy: 1.3911154820226213
Energy: 1.3238632186814294
Energy: 1.5054425093600816
Energy: 1.5646213858958284
Energy: 1.5054425093591384
Energy: 1.645738192549514
Energy: 1.579787250747885
Energy: 1.579535443741395
Energy: 1.5797872507403423
Energy: 1.4024792342229384
Energy: 1.8045998869001472
Energy: 1.2833428945542988
Energy: 1.8045998868982616
Energy: 1.8739580241812799
Energy: 1.7984816005719046
Energy: 1.6364781151008831
Energy: 1.7984816005728477
Energy: 1.5369952290879825
Energy: 1.50413873327116
Energy: 1.5430500352090144
Energy: 1.50413873327116
Energy: 1.5009956401703954
Energy: 1.5675015593288808
Energy: 1.4987888535364424
Energy: 1.5675015593269954
Energy: 1.280473284659664
Energy: 1.8097587819286314
Energy: 1.3970820378179434
Energy: 1.8097587819286314
Energy: 1.8303865738613148
Energy: 1.726101400215273
Energy: 1.7561224305967549
Energy: 1.7261014002133874
Energy: 1.5842925548225264
Energy: 1.4791575922866256
Energy: 1.3231158548759303
Energy: 1.4791575922875682
Energy: 1.5791276743663365
Energy: 1.481098578169098
Energy: 1.5023937866967634
Energy: 1.4810985781483985
Energy: 1.7172304069586348
Energy: 1.3882592281443362
Energy: 1.2568047099926745
Energy: 1.3882592281443362
Energy: 1.410810560576735
Energy: 1.381597228206997
Energy: 1.2489427334616159
Energy: 1.381597228206997
Energy: 1.584166707669538
Energy: 1.4785731745114699
Energy: 1.3192474910269842
Energy: 1.4785731745142983
Energy: 1.580075134231544
Energy: 1.4682202367456925
Energy: 1.317749436620738
Energy: 1.4682202367456925
Energy: 1.7184009178303337
Energy: 1.7853841867604516
Energy: 1.3935484421783348
Energy: 1.7853841867595088
Energy: 1.2779414193375054
Energy: 1.8295284884953824
Energy: 1.876177787331864
Energy: 1.8295284884963252
Energy: 1.623766159419403
Energy: 1.472152213285454
Energy: 1.5573168850752133
Energy: 1.472152213282626
Energy: 1.557218257917826
Energy: 1.4734289602236614
Energy: 1.6132121401341049
Energy: 1.4734289602255473
Energy: 1.876140032159492
Energy: 1.72006949784093
Energy: 1.271648685678657
Energy: 1.7200694978399873
Energy: 1.393386172100619
Energy: 1.8251667322836063
Energy: 1.7184009178350477
Energy: 1.8251667322826637
Energy: 1.3177494366141382
Energy: 1.493428400778097
Energy: 1.5810704206648656
Energy: 1.493428400777154
Energy: 1.3192474910184988
Energy: 1.4855116519217757
Energy: 1.5840108347439064
Energy: 1.4855116519066904
Energy: 1.2517980166608487
Energy: 1.381735911686056
Energy: 1.4109275962264147
Energy: 1.381735911686999
Energy: 1.2725326491500553
Energy: 1.3880502455120136
Energy: 1.7172304069661775
Energy: 1.3880502455138994
Energy: 1.5018965231735077
Energy: 1.4847305390768661
Energy: 1.5791649087128394
Energy: 1.4847305390768661
Energy: 1.3231158548702733
Energy: 1.4801297261787614
Energy: 1.584960861303233
Energy: 1.480129726157076
Energy: 1.7557420243311737
Energy: 1.7255812623964097
Energy: 1.830449870231317
Energy: 1.7255812623973528
Energy: 1.3965674487343323
Energy: 1.7093682735764328
Energy: 1.2783334303013452
Energy: 1.7093682735764328
Energy: 1.4990517977292301
Energy: 1.567877712537655
Energy: 1.508091831304988
Energy: 1.5678777125367123
Energy: 1.5432512348281382
Energy: 1.5071831870291608
Energy: 1.5370445624176479
Energy: 1.5071831870310464
Energy: 1.6359203269656388
Energy: 1.7985820529734702
Energy: 1.8739174055122627
Energy: 1.7985820529725274
Energy: 1.2834152465072075
Energy: 1.8045696242949771
Energy: 1.4024837641748547
Energy: 1.8045696242949771
Energy: 1.5796301545112335
Energy: 1.5681030532969147
Energy: 1.6455735301445913
Energy: 1.5681030532837579

minimum gb energy = 1.2489427334616159 eV
minimum distance =  2.54227340498029 Angstroms
sigma value = 37


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

Energy: 0.6865161753480655
Energy: 0.8189698722252758
Energy: 1.8471879119418064
Energy: 0.8190071966487209
Energy: 1.0129500878766717
Energy: 1.2795800972820592
Energy: 1.310891966977375
Energy: 1.2795800969529205
Energy: 1.5842623785638161
Energy: 1.3915486719356975
Energy: 1.184933402562148
Energy: 1.391548672164303
Energy: 1.4838205715929382
Energy: 1.4568822059122577
Energy: 1.439350649012908
Energy: 1.4568822073974728
Energy: 1.3314400779673563
Energy: 1.3270143715280651
Energy: 1.816529938246806
Energy: 1.3270143720274503
Energy: 1.7209495738205287
Energy: 1.693134075553185
Energy: 1.6439243746270376
Energy: 1.693134075553185
Energy: 1.434446712605039
Energy: 1.3092554957163904
Energy: 1.3943966371922087
Energy: 1.3092554958785265
Energy: 1.424651310964365
Energy: 1.914207235987147
Energy: 1.5820651846024256
Energy: 1.914207235987147
Energy: 1.399857168945538
Energy: 1.3330560238934568
Energy: 1.6417806997943867
Energy: 1.3330560237118554
Energy: 1.6669057282960262
Energy: 1.6911391906133226
Energy: 1.5922551832211986
Energy: 1.6911391906133226
Energy: 1.2995965129347826
Energy: 1.3557036497166997
Energy: 1.821968023135289
Energy: 1.3557036502258173
Energy: 1.361864176401307
Energy: 1.667977493370493
Energy: 1.590715123679899
Energy: 1.667977493370493
Energy: 1.5836567573278097
Energy: 1.326693007654937
Energy: 1.4436407198127685
Energy: 1.3266930076581815
Energy: 0.9809791096718176
Energy: 1.3707817651080845
Energy: 1.2957988290948288
Energy: 1.3707817651097065
Energy: 0.7691976541044176
Energy: 0.9067302893915357
Energy: 1.824048715914068
Energy: 0.9067302899995645
Energy: 0.7165662413355893
Energy: 1.0751835374314385
Energy: 1.3125070295896124
Energy: 1.0751835374363048
Energy: 1.581485370236558
Energy: 1.346593832387715
Energy: 1.424740521270093
Energy: 1.3465938323860926
Energy: 1.5090897561390602
Energy: 1.3574360095013005
Energy: 1.4358734346307263
Energy: 1.3574360095013005
Energy: 1.3554486918475088
Energy: 1.3532185970311568
Energy: 1.8225100272495514
Energy: 1.3532185970327788
Energy: 1.3340608141132613
Energy: 1.6399780197007894
Energy: 1.8111112953256352
Energy: 1.6399780196781168

minimum gb energy = 0.6865161753480655 eV
minimum distance =  2.56285322006921 Angstroms
sigma value = 25


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

Energy: 0.6202101783016017
Energy: 1.0061378761740079
Energy: 1.262142517258991
Energy: 1.0061378761689415
Energy: 0.9619274264094607
Energy: 1.1030841296237819
Energy: 1.1654669628935277
Energy: 1.1030841296237819
Energy: 1.2173794695082167
Energy: 1.08239620833707
Energy: 0.7706276419253795
Energy: 1.08239620833707
Energy: 1.276616322983541
Energy: 1.2355629823901342
Energy: 1.2466128186822567
Energy: 1.2355629823888676
Energy: 0.9666288157303472
Energy: 1.3262105152259565
Energy: 1.4409657847960056
Energy: 1.3262105152259565
Energy: 1.2864267155038214
Energy: 1.4115199209221787
Energy: 1.4628843280900197
Energy: 1.4115199209234455
Energy: 1.1810848727813401
Energy: 1.3234528985415375
Energy: 1.242443526915369
Energy: 1.3234528985250709
Energy: 1.602965078029408
Energy: 1.4700943058140667
Energy: 1.4835081510489454
Energy: 1.4700943058153333
Energy: 1.1772208338124555
Energy: 1.3284311082379212
Energy: 1.3385189048171562
Energy: 1.3284311082366544
Energy: 1.4852129717974392
Energy: 1.6553695636078611
Energy: 1.3358504955090162
Energy: 1.6553695636078611
Energy: 1.1134880090235326
Energy: 1.3464055355811655
Energy: 1.4449555595136114
Energy: 1.3464055355824316
Energy: 1.4743024423594366
Energy: 1.4648460354244193
Energy: 1.4928076947679967
Energy: 1.4648460354244193
Energy: 1.2009792369994008
Energy: 1.3248677944228424
Energy: 1.2142172312287645
Energy: 1.324867794420309
Energy: 1.4150390190113096
Energy: 1.5627428491205377
Energy: 1.2716922686421954
Energy: 1.5627428491205377
Energy: 1.005603828485367
Energy: 1.3103727359415396
Energy: 1.443277232789492
Energy: 1.3103727359137305
Energy: 1.2860730099332112
Energy: 1.3177480504902641
Energy: 1.3675534823289084
Energy: 1.3177480504915309
Energy: 1.2298985802623013
Energy: 1.0041922319355798
Energy: 0.9173590659878845
Energy: 1.0041922319368464
Energy: 0.885764529668856
Energy: 1.019519759926054
Energy: 0.927833568499836
Energy: 1.0195197599247874
Energy: 0.6871720320251437
Energy: 0.9560153704557192
Energy: 1.4451488531777947
Energy: 0.9560153704531857
Energy: 0.9442930837020949
Energy: 0.8992530543242538
Energy: 1.166459225683628
Energy: 0.8992530530594502
Energy: 1.2297549034232311
Energy: 0.987169900042914
Energy: 0.8587755005258417
Energy: 0.9871699000137811
Energy: 1.2904533320201652
Energy: 1.2607304940410182
Energy: 0.9270847808547631
Energy: 1.2607304940397515
Energy: 1.0055426543492212
Energy: 1.31249436360013
Energy: 1.442562627587894
Energy: 1.312494363598864
Energy: 1.2869575415326517
Energy: 1.3221776082582073
Energy: 1.45376787666174
Energy: 1.3221776082569405
Energy: 1.1669951814348056
Energy: 1.3287891957212556
Energy: 1.2307351488064062
Energy: 1.3287891957212556
Energy: 1.5565429947148037
Energy: 1.4546934847753743
Energy: 1.310930362698433
Energy: 1.4546934847741075

minimum gb energy = 0.6202101783016017 eV
minimum distance =  2.55617330656996 Angstroms
sigma value = 41


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

Energy: 0.6117470415997959
Energy: 0.8608667947676585
Energy: 1.0976012706746725
Energy: 0.8608667947686969
Energy: 0.8936939104447168
Energy: 1.0406010774044419
Energy: 1.0155905994575662
Energy: 1.0406010774065189
Energy: 1.0391699463037485
Energy: 1.0388830828132138
Energy: 0.6815390751208096
Energy: 1.0388830828204358
Energy: 1.1552901229324972
Energy: 1.1774509908756805
Energy: 1.0139426991042078
Energy: 1.177450990877757
Energy: 0.8735836589737839
Energy: 1.0546223966922554
Energy: 1.1938449091984582
Energy: 1.0546223966871107
Energy: 1.2510201788972277
Energy: 1.2987229139039462
Energy: 1.1687451592361218
Energy: 1.2987229139091385
Energy: 1.320898294639854
Energy: 1.255900371920931
Energy: 0.9441500403833835
Energy: 1.255900371918854
Energy: 1.307675327153847
Energy: 1.4088668075422137
Energy: 1.161361979621462
Energy: 1.408866807541175
Energy: 1.099288178279249
Energy: 1.2580696869762902
Energy: 1.1556692979484957
Energy: 1.2580696869762902
Energy: 1.3311853247258632
Energy: 1.534401413612227
Energy: 1.4006166861226557
Energy: 1.534401413612227
Energy: 1.2981905223960775
Energy: 1.2659507845927518
Energy: 1.0982268339096941
Energy: 1.2659507845917133
Energy: 1.374316753427168
Energy: 1.5450839315865459
Energy: 1.3541359836144056
Energy: 1.5450839315865459
Energy: 1.281838581529185
Energy: 1.261235571825557
Energy: 1.160848246307628
Energy: 1.26123557182348
Energy: 1.3247295062513318
Energy: 1.407154342479456
Energy: 1.4011511042130498
Energy: 1.407154342481533
Energy: 1.298901383226849
Energy: 1.2458194881939852
Energy: 1.224615306366524
Energy: 1.2458194881939852
Energy: 1.2450884760435124
Energy: 1.408725595078504
Energy: 1.3368604151574064
Energy: 1.408725595076427
Energy: 1.3370948868738717
Energy: 1.2445183097675703
Energy: 1.1149131104934547
Energy: 1.2445183097654933
Energy: 1.109695755396175
Energy: 1.2309359309325085
Energy: 1.1825335261183958
Energy: 1.2309359309325085
Energy: 0.973896247709142
Energy: 1.0594492090188488
Energy: 1.2250665653961432
Energy: 1.059449209019887
Energy: 1.0182438038814237
Energy: 1.0241474916743072
Energy: 1.1723513304450657
Energy: 1.02414749168573
Energy: 1.0386775846253833
Energy: 1.026424618842393
Energy: 0.7898927552073215
Energy: 1.0264246188392774
Energy: 0.9010054611360224
Energy: 0.8296299989757362
Energy: 1.0097747333883207
Energy: 0.8296299989746977
Energy: 0.6847779241458934
Energy: 0.8633974633547525
Energy: 1.2158482592136297
Energy: 0.8633974633609832
Energy: 0.8540944469973552
Energy: 0.8784258652461603
Energy: 1.0514232903095935
Energy: 0.8784258652274685
Energy: 1.044174067901051
Energy: 1.02683023440642
Energy: 0.80169482187657
Energy: 1.0268302344074582
Energy: 1.152612778372409
Energy: 0.989792454443075
Energy: 1.0169024662188755
Energy: 0.9897924544409981
Energy: 0.9733118963075841
Energy: 1.058221357955693
Energy: 1.2146314105430807
Energy: 1.0582213579588082
Energy: 1.0274672824579496
Energy: 1.20057187716076
Energy: 1.2953533246407796
Energy: 1.20057187716076
Energy: 1.3189308751395359
Energy: 1.248815296866007
Energy: 1.115699299036653
Energy: 1.2488152968649686
Energy: 1.3840120249985002
Energy: 1.2363022513641881
Energy: 1.1721652427877223
Energy: 1.2363022513641881
Energy: 1.3032260173145052
Energy: 1.2512577591673917
Energy: 1.2427334856012513
Energy: 1.2512577591684302
Energy: 1.2706167404626176
Energy: 1.4133861600043265
Energy: 1.5399226324743662
Energy: 1.413386160003288

minimum gb energy = 0.6117470415997959 eV
minimum distance =  2.56990378824385 Angstroms
sigma value = 15


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

Energy: 0.6209981581134283
Energy: 0.8600014493507528
Energy: 0.9629937597420078
Energy: 0.8600014493489934
Energy: 0.8535852813941028
Energy: 0.9414293417363487
Energy: 0.9341786931084524
Energy: 0.9414293417433862
Energy: 0.8987621613460921
Energy: 0.9219644934609367
Energy: 0.7670981266117036
Energy: 0.9219644934609367
Energy: 1.0066149455124629
Energy: 1.0341077132165442
Energy: 0.9330122785064727
Energy: 1.0341077132112657
Energy: 0.7995455726830745
Energy: 1.0265399583967407
Energy: 1.1270902905121722
Energy: 1.0265399583976202
Energy: 1.0193997741498064
Energy: 1.122043475578577
Energy: 1.1253615970116417
Energy: 1.122043475575938
Energy: 1.2328868570250677
Energy: 1.0410642099820564
Energy: 0.8337329258739674
Energy: 1.0410642099785374
Energy: 1.1533025111287807
Energy: 1.2013985104017002
Energy: 1.1373889716459027
Energy: 1.2013985104008207
Energy: 0.9511023916501533
Energy: 1.1714186996337264
Energy: 1.0983173988148003
Energy: 1.1714186996328468
Energy: 1.1403361033826536
Energy: 1.229840612590331
Energy: 1.2481682450038263
Energy: 1.22984061259297
Energy: 1.2122890517084077
Energy: 1.1665388175682923
Energy: 0.9516020673149117
Energy: 1.1665388175674125
Energy: 1.2469275571032963
Energy: 1.3656832269735935
Energy: 1.1960623128708476
Energy: 1.365683226975353
Energy: 1.0240731179730769
Energy: 1.1779099463351328
Energy: 1.0479428023379762
Energy: 1.1779099463360125
Energy: 1.2473015029464818
Energy: 1.3857935290397339
Energy: 1.2421633195019908
Energy: 1.3857935290388539
Energy: 1.1538180465505259
Energy: 1.1767583786530156
Energy: 0.9972651620271286
Energy: 1.1767583786547748
Energy: 1.2469190942056019
Energy: 1.3861247367005465
Energy: 1.212955417935346
Energy: 1.3861247367040654
Energy: 1.1485519890933027
Energy: 1.171959271147397
Energy: 1.0218927490721907
Energy: 1.171959271148197
Energy: 1.2153907697076383
Energy: 1.2839701790158642
Energy: 1.1575457087338326
Energy: 1.2839701790185034
Energy: 1.0244100318477976
Energy: 1.1660138750282598
Energy: 1.1012178083276498
Energy: 1.1660138750256206
Energy: 1.1575715199416903
Energy: 1.2577107724146699
Energy: 1.1076878049312617
Energy: 1.2577107724120304
Energy: 1.1982705004018541
Energy: 1.0499027904746188
Energy: 0.8930889243563677
Energy: 1.0499027904781373
Energy: 1.077139069003003
Energy: 1.0219115255919982
Energy: 1.004699995105244
Energy: 1.0219115255946374
Energy: 0.8776250763080714
Energy: 1.0251917216853474
Energy: 1.1302229011097777
Energy: 1.025191721684468
Energy: 1.0073840368018874
Energy: 0.9491811051122969
Energy: 0.9675106655208132
Energy: 0.9491811051140563
Energy: 0.8968545478612965
Energy: 0.9121532658260966
Energy: 0.7642838931737476
Energy: 0.9121532658216981
Energy: 0.8253586774034576
Energy: 0.8163147439631575
Energy: 0.9023606588994048
Energy: 0.8163147439640372
Energy: 0.7026933876463509
Energy: 0.8631240538700455
Energy: 1.1421779966078576
Energy: 0.863124053865647
Energy: 0.8071171372098919
Energy: 0.8443431372928317
Energy: 0.9363036989450726
Energy: 0.84434313729811
Energy: 0.8988041097525471
Energy: 0.9200332276071123
Energy: 0.7530828840489402
Energy: 0.9200332276088716
Energy: 1.0434006179806843
Energy: 0.9580306830399481
Energy: 0.8868482261890187
Energy: 0.9580306830381887
Energy: 0.8771575059878288
Energy: 1.0249031520229956
Energy: 1.1258177915908605
Energy: 1.024903152019477
Energy: 1.0235269586375713
Energy: 1.089919329468481
Energy: 1.1269223057819964
Energy: 1.0899193294719998
Energy: 1.241967534700298
Energy: 1.0478568406315119
Energy: 0.891402878969881
Energy: 1.047856840630632
Energy: 1.2304488200548016
Energy: 1.1367263489623887
Energy: 1.0174777800955284
Energy: 1.1367263489676669
Energy: 1.0225041616935167
Energy: 1.1730362143736446
Energy: 1.1983215407075187
Energy: 1.1730362143779633
Energy: 1.1371028715312033
Energy: 1.2687910398429998
Energy: 1.2484928127413488
Energy: 1.2687910398429998
Energy: 1.2414182124441562
Energy: 1.1726809843435748
Energy: 1.022193599233335
Energy: 1.172680984346214

minimum gb energy = 0.6209981581134283 eV
minimum distance =  2.57129143168334 Angstroms
sigma value = 85


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

Energy: 0.6878482238603854
Energy: 0.7623287545494564
Energy: 0.8999517003621622
Energy: 0.7623287545532713
Energy: 0.5821221516488191
Energy: 0.805972843680829
Energy: 0.6989884648949989
Energy: 0.805972843681592
Energy: 0.8182660649224384
Energy: 0.7474683984771743
Energy: 0.7297429007309673
Energy: 0.7474683984779372
Energy: 0.7673032841435116
Energy: 0.8336263741059103
Energy: 0.7044989239397882
Energy: 0.8336263741059103
Energy: 0.7050385992990331
Energy: 0.7879185000573103
Energy: 0.9403051021813666
Energy: 0.7879185000573103
Energy: 0.7401961065558053
Energy: 0.8110885108460567
Energy: 0.7848518189878549
Energy: 0.8110885108445307
Energy: 1.0438170165544907
Energy: 0.8012086317730702
Energy: 0.6933682661286152
Energy: 0.8012086317730702
Energy: 0.861733865202489
Energy: 0.9139655358116235
Energy: 0.7752670175203481
Energy: 0.9139655358108605
Energy: 0.7107180832026371
Energy: 0.8661936598544965
Energy: 1.0723726521825745
Energy: 0.8661936598552595
Energy: 0.8651568047575728
Energy: 0.9747051996140351
Energy: 0.8356406790150569
Energy: 0.9747051996086944
Energy: 0.9323626367240166
Energy: 0.8627037425089807
Energy: 0.7545736622987824
Energy: 0.8627037425112697
Energy: 1.0167779338081528
Energy: 1.0756646554210336
Energy: 0.8677054840129484
Energy: 1.0756646554195426
Energy: 0.7463870234097377
Energy: 0.8869681108896588
Energy: 1.0649441249646943
Energy: 0.8869681108927107
Energy: 0.9432812225467473
Energy: 1.2460466711385476
Energy: 1.0121748685343568
Energy: 1.2460466711393108
Energy: 0.9136560057165393
Energy: 0.8924867560769905
Energy: 0.8998048083334098
Energy: 0.8924867560769905
Energy: 1.0089820992852114
Energy: 1.2589421809265353
Energy: 0.9509439833881599
Energy: 1.258942180927298
Energy: 0.7559688401509961
Energy: 0.8465283930793883
Energy: 0.9008569005313705
Energy: 0.8465283930801513
Energy: 0.9437522810353286
Energy: 1.2581652941171935
Energy: 1.0134830963565753
Energy: 1.2581652941171935
Energy: 0.7339526824901828
Energy: 0.8464139469270859
Energy: 0.9447636640248491
Energy: 0.8464139469324267
Energy: 0.9287840624108267
Energy: 1.0864062680028828
Energy: 0.9055786699582042
Energy: 1.0864062680013569
Energy: 0.9371180803268069
Energy: 0.8834864381965609
Energy: 0.723740501149329
Energy: 0.8834864381935089
Energy: 0.8632775520561212
Energy: 1.0741767625541203
Energy: 0.8434989686059101
Energy: 1.0741767625533574
Energy: 0.696161516377317
Energy: 0.8720219763039274
Energy: 1.0778096304539437
Energy: 0.8720219763024015
Energy: 0.7397015739171898
Energy: 0.851891796563446
Energy: 0.7922537493700712
Energy: 0.8518917965657002
Energy: 1.0487578615475293
Energy: 0.8720231287851833
Energy: 0.6987645644255002
Energy: 0.8720231287859463
Energy: 0.7452407744083075
Energy: 0.7883201771224033
Energy: 0.7801280066282552
Energy: 0.7883201771216404
Energy: 0.5379813438507106
Energy: 0.8088195164473039
Energy: 0.9422361702514175
Energy: 0.8088195164503558
Energy: 0.6946927174417966
Energy: 0.7641341311857641
Energy: 0.6422434661009133
Energy: 0.7641341311850011
Energy: 0.8173851066217591
Energy: 0.6483584173003673
Energy: 0.5624042417381412
Energy: 0.648358417304945
Energy: 0.5806468640182572
Energy: 0.6924592057552288
Energy: 0.6960492436098064
Energy: 0.6924592057552288
Energy: 0.4494453028281237
Energy: 0.6543809318381774
Energy: 0.9406685853287369
Energy: 0.6543809318381774
Energy: 0.6014876974089925
Energy: 0.7619950926538543
Energy: 0.6408426985122931
Energy: 0.7619950926561087
Energy: 0.8190177009364497
Energy: 0.690892716676571
Energy: 0.5430470163788589
Energy: 0.69089271667886
Energy: 0.7660603080686663
Energy: 0.72303576874593
Energy: 0.701055207356286
Energy: 0.72303576874593
Energy: 0.5803087503554523
Energy: 0.8092577951443456
Energy: 0.9431867339258377
Energy: 0.8092577951428196
Energy: 0.6858277425348211
Energy: 0.8182096099198756
Energy: 0.8549233386163988
Energy: 0.8182096099206385
Energy: 1.0308394536619951
Energy: 0.8756183657586806
Energy: 0.6997660809797174
Energy: 0.8756183657617326
Energy: 0.8699854729489143
Energy: 0.8635844549972407
Energy: 0.757092263771236
Energy: 0.8635844549972407
Energy: 0.6969036880476573
Energy: 0.8737242670819215
Energy: 1.0646930018214982
Energy: 0.8737242670765809
Energy: 0.7852992120002622
Energy: 0.8976296488016791
Energy: 1.013711383497368
Energy: 0.8976296488009161
Energy: 1.0010989403355481
Energy: 0.883063470345572
Energy: 0.7412277995348086
Energy: 0.883063470344046
Energy: 1.0142670254670854
Energy: 1.0685552414233592
Energy: 0.8674446640308675
Energy: 1.068555241422596
Energy: 0.7305349232738031
Energy: 0.8720746788652842
Energy: 1.0645217782966452
Energy: 0.8720746788637584

minimum gb energy = 0.4494453028281237 eV
minimum distance =  2.56771764025446 Angstroms
sigma value = 113


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

Energy: 0.019409517425919422
Energy: 0.020006591695290944
Energy: 1.4622765445036587
Energy: 0.020006591695290944
Energy: 0.020685717245668304
Energy: 1.223661415017135
Energy: 0.02068571724622225
Energy: 1.223661415017135
Energy: -2.1780257336867734
Energy: 0.02000659169470441
Energy: 0.019409517425919422
Energy: 0.02000659169470441
Energy: 0.020685717245668304
Energy: 1.223661415019416
Energy: 0.020685717245668304
Energy: 1.2236614150182754
Energy: 0.019409517425919422
Energy: 0.02000659169470441
Energy: 1.4422244264722683
Energy: 0.02000659169470441
Energy: 0.020685717245668304
Energy: 1.223661415017135
Energy: 0.02068571724622225
Energy: 1.2236614150177214

minimum gb energy = -2.1780257336867734 eV
minimum distance =  2.7045201334427 Angstroms
sigma value = 1