Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Fe__MO_681088298208_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=3.628442171216013
cohesive_energy=4.196040163280591
mass=55.845
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: 0.016092412247035462
Energy: 0.016312560521337078
Energy: -0.10455563637892455
Energy: 0.016312560521337078
Energy: 0.016312560521337078
Energy: 1.3740789718757451
Energy: 0.016312560521337078
Energy: 1.374078971875157
Energy: -0.10455563637892455
Energy: 0.016312560521337078
Energy: 0.016092412247035462
Energy: 0.016312560521337078
Energy: 0.016312560521337078
Energy: 1.374078971875157
Energy: 0.016312560521337078
Energy: 1.374078971875157

minimum gb energy = -0.10455563637892455 eV
minimum distance =  2.51553098518192 Angstroms
sigma value = 1


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

Energy: -0.4348594278886839
Energy: -0.036366117354733295
Energy: -0.5742713568677552
Energy: -0.03636612390563636
Energy: -0.48222670264066747
Energy: -0.1334604103039822
Energy: -0.5136083383411477
Energy: -0.1334833208080779
Energy: -0.12420323194638452
Energy: 0.2222293472828413
Energy: -0.359318511641395
Energy: 0.22222934729039184
Energy: -0.1234777728079614
Energy: -0.1592969596897365
Energy: -0.2997627777469625
Energy: -0.15929694719389423
Energy: -0.2225733040267113
Energy: -0.07544016715197283
Energy: -0.11742943527517656
Energy: -0.08331322767171878
Energy: -0.58486834397052
Energy: 0.37424328702584553
Energy: -0.07180966711806022
Energy: 0.374243248803996
Energy: -0.41882854274433345
Energy: 0.2039091952989549
Energy: -0.5145935806368651
Energy: 0.20390919156913345
Energy: -0.35843301387840143
Energy: -0.1216642059015621
Energy: 0.11680549962854508
Energy: -0.12166115133785775
Energy: -0.3297112532416831
Energy: 0.04926755172206139
Energy: -0.3075374819920239
Energy: 0.05103521917369071
Energy: -0.15311886468185307
Energy: 0.21910288790410656
Energy: -0.1861962566960376
Energy: 0.2191028841479269
Energy: -0.31444458609141884
Energy: -0.1736107753429754
Energy: -0.33726542755757916
Energy: -0.20460899864987686
Energy: -0.5071420031024169
Energy: -0.023660007521861925
Energy: -0.3215492847294943
Energy: -0.02366003166905471
Energy: -0.44644992850472204
Energy: 0.09862127314564445
Energy: -0.38228013713336273
Energy: 0.0986792857550298
Energy: -0.26351172975299253
Energy: 0.08506819504167205
Energy: -0.21998132646469878
Energy: 0.08506819357000632
Energy: -0.22685393486937358
Energy: -0.05101177822621798
Energy: -0.2963401138405157
Energy: -0.05101176288430874
Energy: -0.1290053405884667
Energy: -0.03088450228133203
Energy: -0.3419442758499814
Energy: -0.03088449737788461
Energy: -0.27159322557291027
Energy: 0.1053681845663088
Energy: -0.1421322920459959
Energy: 0.16642691626661543
Energy: -0.4590326406407972
Energy: -0.13375753200541687
Energy: -0.359201024050909
Energy: -0.1351793223619019
Energy: -0.02117447230720688
Energy: -0.19775036246733424
Energy: -0.34823244762897154
Energy: -0.06915333410157645
Energy: -0.4833495187019515
Energy: -0.38948353143742986
Energy: -0.525988854099954
Energy: -0.3894835315679853
Energy: -0.0912035493717113
Energy: 0.15704619788786867
Energy: -0.1485960599621558
Energy: 0.15700893733150942
Energy: -0.381430052711406
Energy: -0.11824858481342915
Energy: -0.3159197518199921
Energy: -0.22017681546260506
Energy: -0.17728671660499098
Energy: -0.0913219244290706
Energy: -0.3466826669594489
Energy: -0.09132135384100017
Energy: -0.22059789992254075
Energy: 0.12846011594068368
Energy: -0.44748535916879245
Energy: 0.12846011709385463
Energy: -0.4868284074392922
Energy: 0.36815228529920796
Energy: -0.39745952874584767
Energy: 0.3680347804106092
Energy: -0.10785364766042002
Energy: -0.06818752316650209
Energy: -0.31836208591707743
Energy: -0.0681877610344963
Energy: -0.3039566020850967
Energy: 0.31951014173797465
Energy: -0.2734685471139975
Energy: 0.3154156141671479
Energy: -0.17330711471594207
Energy: 0.22541299392513017
Energy: -0.4187609279523838
Energy: 0.22541298209345942
Energy: -0.44293470319229694
Energy: 0.037034688311683286
Energy: -0.24801928363517162
Energy: 0.018992475453610554
Energy: -0.691590636689327
Energy: -0.07980377488593152
Energy: -0.24574861609693358
Energy: -0.07917678602789452
Energy: -0.38319714878332684
Energy: 0.07709470657914655
Energy: -0.46714443337629813
Energy: 0.07709470287046656
Energy: -0.15923453993490105
Energy: 0.20933163222911486
Energy: -0.23741612722251895
Energy: 0.20933163541625954
Energy: -0.13410938607787917
Energy: -0.1706554104659601
Energy: -0.3188480525553361
Energy: -0.17065542517692014

minimum gb energy = -0.691590636689327 eV
minimum distance =  2.3317278191809 Angstroms
sigma value = 1


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

Energy: -0.10131106336158334
Energy: 0.24576354365834405
Energy: -0.21961108307541655
Energy: 0.24576346614619624
Energy: -0.02882525811261164
Energy: 0.1449744199022071
Energy: -0.029876536993912378
Energy: 0.14502877682707643
Energy: 0.1003974759368489
Energy: 0.25738372501489476
Energy: -0.09275894434817758
Energy: 0.25738372019518996
Energy: 0.1242160125929245
Energy: 0.16531302726192215
Energy: -0.07481953197422943
Energy: 0.16530908424956925
Energy: 0.15811754746567616
Energy: 0.41506775612913777
Energy: 0.1998425615533085
Energy: 0.4150729251771149
Energy: -0.1603246260337388
Energy: 0.5040047000552225
Energy: 0.2810479162112964
Energy: 0.504004635087604
Energy: -0.10530970490568514
Energy: -0.19304994441435525
Energy: -0.11759176181811737
Energy: -0.11841705109897062
Energy: -0.04885434233364933
Energy: 0.26120680428478277
Energy: 0.37843056254487134
Energy: 0.26120678880163717
Energy: 0.14331465855349645
Energy: 0.2518660820134687
Energy: -0.16780728014318377
Energy: 0.1733630240679326
Energy: 0.1868341664378278
Energy: 0.15302273499642247
Energy: 0.2110669779033763
Energy: 0.10588333065310222
Energy: -0.021865459234619026
Energy: 0.09963637491217686
Energy: -0.008694293055098189
Energy: 0.03826443181752714
Energy: 0.03744300566637326
Energy: 0.3209404252359737
Energy: -0.14983747762639216
Energy: 0.2953240635379581
Energy: -0.05341586865159868
Energy: 0.45325483910990927
Energy: 0.13904931399044718
Energy: 0.4532548914883104
Energy: -0.1436176308729059
Energy: 0.4042145864833314
Energy: 0.22227778283999994
Energy: 0.3280008513241631
Energy: 0.13475428800029396
Energy: 0.34068649210328605
Energy: -0.03928736727920934
Energy: 0.24260756013936607
Energy: 0.031209278766631685
Energy: 0.07155622454377451
Energy: -0.11697766683361907
Energy: 0.10828264536271201
Energy: 0.12488158086717101
Energy: 0.2165350933650979
Energy: 0.251920443220807
Energy: 0.216683566448127
Energy: 0.142469819249072
Energy: 0.29038500679899554
Energy: -0.19329847676989814
Energy: 0.25388792466988885
Energy: 0.11073468526116453
Energy: 0.22944749754045107
Energy: 0.33119576710846593
Energy: 0.20299141597422057
Energy: -0.00963570241061789
Energy: -0.13513359730430963
Energy: -0.09211107325529312
Energy: -0.19255023315475928
Energy: -0.23440409244679264
Energy: 0.4911176670829848
Energy: 0.3046243616026817
Energy: 0.4910925978698447
Energy: -0.11012831324436552
Energy: 0.4012445748335723
Energy: 0.19592162993133266
Energy: 0.40103349997093957
Energy: 0.11564867916056301
Energy: 0.11731104761092233
Energy: -0.13291586986299525
Energy: 0.1168416096429675
Energy: 0.11680110318102647
Energy: 0.20862866869450788
Energy: -0.17244347919514616
Energy: 0.20830310743951685
Energy: 0.035687604884619126
Energy: 0.11580258427616429
Energy: -0.035513972656876086
Energy: 0.06471349907102673
Energy: -0.08834251418880412
Energy: 0.24576359222037106
Energy: -0.12218366879860912
Energy: 0.2457630271234756
Energy: -0.015857861756382388
Energy: 0.1449874214434022
Energy: -0.04020213607706947
Energy: 0.14494285289750858
Energy: 0.08469943703104679
Energy: 0.2573837153066138
Energy: -0.09821439873950275
Energy: 0.257383714011558
Energy: 0.11949317907197206
Energy: 0.16550370347113202
Energy: -0.0768557935049081
Energy: 0.1653958249596961

minimum gb energy = -0.23440409244679264 eV
minimum distance =  2.21223772725172 Angstroms
sigma value = 25


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

Energy: -0.09267366576173569
Energy: 0.808756154678365
Energy: -0.3580589040560833
Energy: 0.742008048655575
Energy: 0.21224432934119247
Energy: 0.715879683531109
Energy: 0.3136526352926182
Energy: 0.6230661054810988
Energy: 0.3790419913450813
Energy: 1.300437421162207
Energy: 0.3498078705995722
Energy: 1.300437421163208
Energy: 0.5618591481805908
Energy: 0.4318303215157838
Energy: 0.20143908052480938
Energy: 0.42803013534547374
Energy: 0.26506849592774007
Energy: 0.7192043857048663
Energy: 0.38318456474007856
Energy: 0.6987281338898343
Energy: 0.027626519200821438
Energy: 0.4945793285987767
Energy: 0.2544563782068195
Energy: 0.49448577693322443
Energy: 0.24986371941861668
Energy: 0.2766732872342279
Energy: 0.11359303894927647
Energy: 0.26488888436893654
Energy: -0.3536298827761758
Energy: 1.276685428794502
Energy: 0.22202909681293012
Energy: 1.276685428794502
Energy: 0.00883653616541662
Energy: 0.6039993730073963
Energy: 0.2770622388751528
Energy: 0.6039831803299613
Energy: 0.40551536229444723
Energy: 0.4596725706031257
Energy: 0.40968632490614154
Energy: 0.5059252897818513
Energy: 0.4474052401191016
Energy: 0.7708057552493233
Energy: 0.1025485100055622
Energy: 0.7708064279972096
Energy: 0.2102519267104345
Energy: 0.7058202089331739
Energy: 0.24923696523848182
Energy: 0.7206733431087398
Energy: 0.36870811974593837
Energy: 0.2445822729639167
Energy: 0.2921652527736465
Energy: 0.24647356853229782
Energy: 0.017532827359329928
Energy: 0.2587250606897635
Energy: 0.14696046338741248
Energy: 0.09039652321621335
Energy: 0.49261300336684044
Energy: 0.7647022720335923
Energy: 0.21220802266010885
Energy: 0.7647074205804527
Energy: 0.2074892353407887
Energy: 0.27988932481523987
Energy: 0.32761400371474736
Energy: 0.2720806734935871
Energy: 0.37140193159542984
Energy: 1.3008244830408284
Energy: 0.3910232168719098
Energy: 1.3008244830388271
Energy: 0.27217822391932134
Energy: 0.4296242506727142
Energy: 0.46328459505363884
Energy: 0.433660501323943
Energy: 0.39200645201945356
Energy: 0.42311953602200414
Energy: 0.24829946659103216
Energy: 0.4169359977839748
Energy: 0.15095604726387615
Energy: 0.4768875488373661
Energy: 0.28940408501811554
Energy: 0.39311365522938874
Energy: 0.2354317659792973
Energy: 0.6094567105533166
Energy: 0.354587790548722
Energy: 0.5251602804944191
Energy: 0.19749855567382993
Energy: 1.2689521434544184
Energy: 0.2232629156556217
Energy: 1.2689521434554194
Energy: 0.2723020473683153
Energy: 0.5227030398023024
Energy: -0.052269698061391194
Energy: 0.523393968083813
Energy: 0.19067668064094506
Energy: 1.3010033644762375
Energy: 0.42301336472609724
Energy: 1.3010033644762375
Energy: -0.14224599000181395
Energy: 0.14033850578722304
Energy: 0.2729865880625348
Energy: 0.12933108581796696

minimum gb energy = -0.3580589040560833 eV
minimum distance =  2.24152083578353 Angstroms
sigma value = 9


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

Energy: 0.6396046991896317
Energy: 0.5801204711580275
Energy: -0.8781004084103948
Energy: 0.6093249436515192
Energy: 0.386217665377018
Energy: 0.47903956554417565
Energy: 0.6473969065394096
Energy: 0.1334275609106129
Energy: 0.6119235556663514
Energy: 0.6147727466420346
Energy: 0.8279746320653827
Energy: 0.5997485434898538
Energy: 0.2531640824351234
Energy: 0.7074482174475542
Energy: 0.4156260323920262
Energy: 0.677097196407714
Energy: 0.2072299637100613
Energy: 0.7369583740832113
Energy: 0.6191162059981127
Energy: 0.806012810604639
Energy: 0.6713143800387433
Energy: 0.5049291872993895
Energy: 0.31297735012274436
Energy: 0.5795688155981259
Energy: 0.5228254973062494
Energy: 0.4475658644030421
Energy: 0.5342525869263985
Energy: 0.43986921479592067
Energy: 0.4902744345292013
Energy: 0.4644448019842575
Energy: 0.5691870220615284
Energy: 0.5416699209401088
Energy: 0.22559601615704344
Energy: 0.7626567106325365
Energy: 0.6092727404476801
Energy: 0.8509626130281063
Energy: 0.5169970168124561
Energy: 0.5190154203539398
Energy: 0.4276072161374214
Energy: 0.5138777421031075
Energy: 0.673615970736593
Energy: 0.8004805469175471
Energy: 0.8435965668154659
Energy: 0.8385995576745088
Energy: 0.28930457582342445
Energy: 0.6643060614420141
Energy: 0.4094374094384408
Energy: 0.7236715274933603
Energy: 0.695220419790769
Energy: 0.5430215163480501
Energy: 0.7533774639054525
Energy: 0.593123955259008
Energy: 0.28241263433715025
Energy: 0.5775555121899445
Energy: -0.8172495144738848
Energy: 0.5567665162195374
Energy: 0.6484649564319047
Energy: 0.6044571358711884
Energy: 0.46304667484369877
Energy: 0.6089288762474993
Energy: 0.21400572934851111
Energy: 0.7356262676380532
Energy: 0.4255829693021362
Energy: 0.6726169022737567
Energy: 0.6396547135722179
Energy: 0.6872809407205702
Energy: 0.8423772447770623
Energy: 0.6872809735127954
Energy: 0.5862349755462591
Energy: 0.45944179397511714
Energy: 0.42663858337980043
Energy: 0.3812348964376964
Energy: -0.3954548343617465
Energy: 0.857376580301776
Energy: 0.5398371103165021
Energy: 0.85732847382569
Energy: 0.475026660845717
Energy: 0.6089649113726302
Energy: 0.5769831338129106
Energy: 0.6089503834433346
Energy: 0.46903998089352605
Energy: 0.4081838267223624
Energy: 0.4570553309509414
Energy: 0.43960157951326806

minimum gb energy = -0.8781004084103948 eV
minimum distance =  2.26337610832153 Angstroms
sigma value = 25


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

Energy: 1.072476139565911
Energy: 1.5163259823109003
Energy: 0.9359361434783346
Energy: 1.516325982309424
Energy: 1.0455756649371217
Energy: 1.2788960070609319
Energy: 1.0459930545100642
Energy: 1.2788960062300776
Energy: 1.0238402119589112
Energy: 0.9442414462027835
Energy: 1.0176186769443474
Energy: 0.9442439522184936
Energy: 1.0947462115854878
Energy: 1.3085402060163618
Energy: 0.9077620601201327
Energy: 1.3085402060163618
Energy: 0.9602050349100698
Energy: 1.050343012421247
Energy: 1.0433204854059217
Energy: 1.0503430137184477
Energy: 1.025913584951481
Energy: 1.4595956212409413
Energy: 1.0269928019148749
Energy: 1.4595956212424175
Energy: 1.034239471545878
Energy: 1.293224323194671
Energy: 1.0471544310513474
Energy: 1.2932243231961473
Energy: 0.907412113846354
Energy: 1.3155469352315965
Energy: 1.056186566264628
Energy: 1.315546935212403
Energy: 1.0178529872350737
Energy: 1.3025371427890693
Energy: 1.0449721960108935
Energy: 1.302537142787593
Energy: 0.770302556626683
Energy: 1.338148578706739
Energy: 1.04654544629643
Energy: 1.3381485787082155
Energy: 0.9800736240489003
Energy: 1.27046379345416
Energy: 0.7696641579132529
Energy: 1.2704637934644951
Energy: 1.0445780052622438
Energy: 1.0643105292600918
Energy: 0.8355273329746541
Energy: 1.0643105289280321
Energy: 1.0203893156807022
Energy: 1.037525421647592
Energy: 1.02361022700228
Energy: 0.9506115345881511
Energy: 1.0463035177011422
Energy: 1.3084749231906914
Energy: 1.095488776174418
Energy: 1.3084749231906914
Energy: 1.034786655356481
Energy: 1.5158565049180126
Energy: 0.966108648125667
Energy: 1.5158565049180126
Energy: 1.0474742150010918
Energy: 1.338391544489985
Energy: 1.0255634760752714
Energy: 1.338391544489985
Energy: 1.046149423649812
Energy: 1.1193906811772039
Energy: 0.7715049205277492
Energy: 1.1193906811772039

minimum gb energy = 0.7696641579132529 eV
minimum distance =  2.36075235775498 Angstroms
sigma value = 17


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

Energy: 1.160528074550856
Energy: 1.1468939330792187
Energy: 1.0412737339230442
Energy: 1.1468939330816894
Energy: 1.091637722366459
Energy: 1.1110082786611968
Energy: 1.0259979142823534
Energy: 1.1110082786611968
Energy: 1.0745637299313742
Energy: 1.0726714593122884
Energy: 1.0297386512474842
Energy: 1.0726714593139606
Energy: 1.0448149862372103
Energy: 1.0629792275895993
Energy: 0.9970018648038189
Energy: 1.062974832835975
Energy: 1.1275553460261716
Energy: 1.3098847936154865
Energy: 1.03667196267292
Energy: 1.3098847936138143
Energy: 1.0873650880072516
Energy: 1.0411290045751347
Energy: 0.985398765718834
Energy: 1.0411290045734625
Energy: 1.0496773061251246
Energy: 1.1444216124633027
Energy: 1.0290456690563183
Energy: 1.1444216124649746
Energy: 1.0411690420323834
Energy: 1.0215254425385982
Energy: 1.0729848061585152
Energy: 1.0215254425268916
Energy: 1.072405949207584
Energy: 1.281356910550059
Energy: 0.9583652465587076
Energy: 1.2813569105492226
Energy: 1.0104156593812763
Energy: 1.0838812919488425
Energy: 1.0479491674427908
Energy: 1.0838812923659027
Energy: 1.0651534395262487
Energy: 1.0085299634356277
Energy: 1.0278637615930328
Energy: 1.0085287682449846
Energy: 1.0759463573706802
Energy: 1.0947546374656794
Energy: 1.05439614760426
Energy: 1.0947546374648431
Energy: 1.0621683683833236
Energy: 1.0212265626787076
Energy: 1.163407336992616
Energy: 1.0212265626243944
Energy: 1.0456705524396475
Energy: 1.0853816615355314
Energy: 1.092916411104567
Energy: 1.0853816926850055
Energy: 1.0416271657625782
Energy: 1.1441696010563585
Energy: 1.0758814913592
Energy: 1.1441696010571945
Energy: 1.0072522009701441
Energy: 1.02604355384995
Energy: 1.0392814873360234
Energy: 1.0260435540539
Energy: 1.0279923161134743
Energy: 1.0803889945246175
Energy: 1.0777024250179306
Energy: 1.08038899452629
Energy: 0.9817572458028365
Energy: 1.1237197656491762
Energy: 1.087265532522855
Energy: 1.1237197656508486
Energy: 1.0268275428428673
Energy: 1.130350034366668
Energy: 1.0987632710919206
Energy: 1.1303500343165358
Energy: 1.028496228677653
Energy: 1.0851000241774253
Energy: 1.0508077831414324
Energy: 1.0851000242091997
Energy: 0.9865935228231836
Energy: 1.1305742502227745
Energy: 1.0726490165411555
Energy: 1.1305742502236107
Energy: 1.0264667310246591
Energy: 1.000644093440415
Energy: 1.0781286274332136
Energy: 1.0006440934454321
Energy: 1.0628467964098458
Energy: 1.0851730490766787
Energy: 1.0614823330762935
Energy: 1.085173048476573
Energy: 1.0583772410176733
Energy: 1.1415057685840448
Energy: 1.0710416525172972
Energy: 1.1415057685840448
Energy: 1.056224526913124
Energy: 1.1470237961618628
Energy: 1.0599037496217962
Energy: 1.1470237962287566
Energy: 0.9188395054174731
Energy: 1.2843328593053178
Energy: 1.062262475448822
Energy: 1.2843328593613033
Energy: 1.0415478278609525
Energy: 1.0837894491089843
Energy: 1.0471219598317076
Energy: 1.083789449254402
Energy: 0.9760636747401856
Energy: 1.042718945886894
Energy: 1.074141421706745
Energy: 1.042718945886894
Energy: 1.0324797274454638
Energy: 1.1608465550643128
Energy: 1.0503306962846146
Energy: 1.1608428567127576
Energy: 1.073012514595621
Energy: 1.1437570360247915
Energy: 1.0277285899647735
Energy: 1.1437570360256277

minimum gb energy = 0.9188395054174731 eV
minimum distance =  2.30820371654002 Angstroms
sigma value = 53


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

Energy: 1.1185655424022085
Energy: 1.1170222763996682
Energy: -0.890177127628906
Energy: 1.1170222764015931
Energy: 1.1692524776717443
Energy: 1.141645444179241
Energy: 1.0280230818196907
Energy: 1.141645444179241
Energy: 1.0904393750804318
Energy: 1.1872490599516785
Energy: 0.9657735691294953
Energy: 1.1872490599593786
Energy: 1.0898481989452866
Energy: 1.1882128369014193
Energy: 0.9582328605779151
Energy: 1.1882128369225944
Energy: 1.1685520205165925
Energy: 1.1414634503490126
Energy: 1.0280214907270762
Energy: 1.1414634503509378
Energy: 1.1185655424041334
Energy: 1.1170222764015931
Energy: 0.8170214908699018
Energy: 1.1170222764015931
Energy: 1.1692524673736227
Energy: 1.1416454441773158
Energy: 0.955463698198265
Energy: 1.1416454441773158
Energy: 1.0904393750785069
Energy: 1.1872490599786287
Energy: 1.161221827444894
Energy: 1.1872490599747785
Energy: 1.0898481989452866
Energy: 1.1882128369225944
Energy: 1.0702968174693195
Energy: 1.1882128369187441
Energy: 1.1685522018742927
Energy: 1.1414634503470877
Energy: 0.9560902292841176
Energy: 1.1414634503490126
Energy: 1.1185655424022085
Energy: 1.1170222763996682
Energy: 1.072337700366883
Energy: 1.1170222764015931
Energy: 1.169252467208159
Energy: 1.1416454441773158
Energy: 1.0701171133495195
Energy: 1.141645444179241
Energy: 1.0904393750785069
Energy: 1.1872490599593786
Energy: 1.161221827444894
Energy: 1.1872490599613037

minimum gb energy = -0.890177127628906 eV
minimum distance =  2.33038109123493 Angstroms
sigma value = 9


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

Energy: 1.2175633897815175
Energy: 1.1035269460898771
Energy: 1.2551661000819758
Energy: 1.1035269460898771
Energy: 1.1034049793654397
Energy: 1.1244273666853142
Energy: 1.0579366253579774
Energy: 1.1244273666838893
Energy: 1.0482481974462927
Energy: 1.2491262930722231
Energy: 1.0486292532789419
Energy: 1.2491262930743605
Energy: 1.0511589674967827
Energy: 1.1848771391522066
Energy: 1.059731451586841
Energy: 1.184877139153632
Energy: 1.1157617890966038
Energy: 1.190621574227834
Energy: 1.0340252434985477
Energy: 1.190621574227834
Energy: 1.203702044310514
Energy: 1.1998053935249893
Energy: 1.0382028678372421
Energy: 1.1998053935235644
Energy: 1.207567177092284
Energy: 1.1087971610360297
Energy: 1.0559722585173545
Energy: 1.1087971610353171
Energy: 1.0753683425647111
Energy: 1.1834762964200132
Energy: 1.1013433314938925
Energy: 1.1834762964193006
Energy: 1.0511556632914492
Energy: 1.2459453819074189
Energy: 1.0607088290766464
Energy: 1.245945381905994
Energy: 1.0502326065001861
Energy: 1.1768888255806502
Energy: 1.052475098750353
Energy: 1.1768888255785128
Energy: 1.0948095281854866
Energy: 1.3296733284935651
Energy: 1.0713256522160242
Energy: 1.3296733284914277
Energy: 1.0923173245268991
Energy: 1.1390650866769374
Energy: 1.0437153417583962
Energy: 1.1390650866769374
Energy: 1.0713871538223365
Energy: 1.1947859825133769
Energy: 1.113476426455515
Energy: 1.1947859825140894
Energy: 1.05627982020205
Energy: 1.379806102143673
Energy: 1.2225985725664597
Energy: 1.379806102143673
Energy: 1.074898100848839
Energy: 1.1750491919345016
Energy: 1.0839068401457683
Energy: 1.1750491919337893
Energy: 1.0618331876126221
Energy: 1.2441000361577517
Energy: 1.032527925941847
Energy: 1.2441000361591765
Energy: 1.0778795844680154
Energy: 1.1792049595344254
Energy: 1.074412948381177
Energy: 1.1792049595330005
Energy: 1.049955234204842
Energy: 1.1110095036257992
Energy: 1.07176998671197
Energy: 1.1110095036293617
Energy: 1.1149545403302301
Energy: 1.1946201712846831
Energy: 1.2053137916684709
Energy: 1.194620171286108
Energy: 1.0282586066776467
Energy: 1.1497273098739857
Energy: 1.1005349690599322
Energy: 1.1497273098739857
Energy: 1.060261120262145
Energy: 1.1393890765107781
Energy: 1.052332217351989
Energy: 1.1393890765107781
Energy: 1.1448818363850009
Energy: 1.2470362383737672
Energy: 1.0497989816130686
Energy: 1.247036238372342
Energy: 1.0604157885366736
Energy: 1.1795461278011896
Energy: 1.0520096636107847
Energy: 1.1795461278026143
Energy: 1.1124389568898292
Energy: 1.1846554539124337
Energy: 1.09329220933703
Energy: 1.1846554539131462
Energy: 1.0554877700619925
Energy: 1.2298178522879257
Energy: 1.1619043194647456
Energy: 1.229817852288638
Energy: 1.039895363154732
Energy: 1.1297269739152243
Energy: 1.0708380219390403
Energy: 1.1297269739137994
Energy: 1.1754542478248078
Energy: 1.1751357447276574
Energy: 1.0554360124158826
Energy: 1.17513574472837
Energy: 1.082843305145874
Energy: 1.1849094329621763
Energy: 1.0548968135406551
Energy: 1.184909432960039
Energy: 1.0517984101062574
Energy: 1.1305733696572475
Energy: 1.0706407574336645
Energy: 1.1305733696558224
Energy: 1.057977391241877
Energy: 1.2267306748763172
Energy: 1.1595820181549268
Energy: 1.226730674879167
Energy: 1.1685964549123682
Energy: 1.3883014899597634
Energy: 1.0928707882228548
Energy: 1.3883014899604758
Energy: 1.0580848536073477
Energy: 1.1788376279472006
Energy: 1.0504948313161044
Energy: 1.1788376279464878
Energy: 1.056578486550487
Energy: 1.2479068046338255
Energy: 1.0499366123798008
Energy: 1.2479068046338255
Energy: 1.0588030092545424
Energy: 1.1812370565928876
Energy: 1.0513098528586948
Energy: 1.1812370565936003
Energy: 1.0471195647111404
Energy: 1.1379538542093872
Energy: 1.2071171020351605
Energy: 1.1379538542093872

minimum gb energy = 1.0282586066776467 eV
minimum distance =  2.34036126029589 Angstroms
sigma value = 73


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

Energy: 1.1844553859493223
Energy: 1.1850406366316064
Energy: 0.47942411630569204
Energy: 1.185040636630476
Energy: 1.1198651774462103
Energy: 1.1503160970355137
Energy: 1.0362397730080508
Energy: 1.150316097036644
Energy: 1.062257646323775
Energy: 1.3382436157150028
Energy: 1.0364613398513882
Energy: 1.3382436157150028
Energy: 1.0118573501185573
Energy: 1.1718642397021386
Energy: 1.055065347920328
Energy: 1.171864239676139
Energy: 1.0106014376715378
Energy: 1.1701801374030114
Energy: 1.0808936491027044
Energy: 1.170180137401881
Energy: 1.1081558696476845
Energy: 1.147822874178876
Energy: 0.9837520727668471
Energy: 1.1478228739777405
Energy: 1.1980748090039448
Energy: 1.1348326864368066
Energy: 1.0414669032611956
Energy: 1.1348326864334155
Energy: 1.0748349386521407
Energy: 1.0646893369155552
Energy: 1.0581116550482783
Energy: 1.0646893369166857
Energy: 1.0268511695562819
Energy: 1.043258094728417
Energy: 1.144458143577246
Energy: 1.043258094728417
Energy: 1.0630377818225776
Energy: 1.090648632804458
Energy: 1.0623230613092665
Energy: 1.0906486328666047
Energy: 0.9939309556535272
Energy: 1.0418865638057342
Energy: 1.0369370470178723
Energy: 1.0418865638068646
Energy: 1.0925668559700696
Energy: 1.2569495125868018
Energy: 1.0090825481795986
Energy: 1.2569495125868018
Energy: 1.0842426087647072
Energy: 1.1026421890009288
Energy: 0.999431127207946
Energy: 1.102642188941043
Energy: 0.7901667223864893
Energy: 1.0928860779409615
Energy: 1.1105982459084873
Energy: 1.0928860464651955
Energy: 0.9924800819882091
Energy: 1.1907306983030348
Energy: 1.134843979735833
Energy: 1.1907306983109478
Energy: 1.0361513596905574
Energy: 1.1517154349726377
Energy: 1.075542016035458
Energy: 1.1517154349534462
Energy: 1.0842813364739248
Energy: 1.3897821304336968
Energy: 1.062608962746665
Energy: 1.3897821304348272
Energy: 1.0792457630955519
Energy: 1.1638625044626345
Energy: 1.0413984119558817
Energy: 1.1638625044648954
Energy: 1.0339330684729557
Energy: 1.1393038437241993
Energy: 1.0746859186039672
Energy: 1.139303843723069
Energy: 1.0359574779333638
Energy: 1.4043956078236852
Energy: 1.118581141910936
Energy: 1.4043956016849084
Energy: 1.0960084486005328
Energy: 1.1506681712372075
Energy: 1.1233196846659326
Energy: 1.1506681708293105
Energy: 1.0585774228081388
Energy: 1.116008841604238
Energy: 0.9964570224531071
Energy: 1.1160088416211942

minimum gb energy = 0.47942411630569204 eV
minimum distance =  2.33227859255574 Angstroms
sigma value = 7


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

Energy: 1.258795366535153
Energy: 1.2555323139206709
Energy: 1.2284100937014806
Energy: 1.2555323139246675
Energy: 1.1376964818030584
Energy: 1.146388978739742
Energy: 1.0772563510947586
Energy: 1.14638897874214
Energy: 1.0798101999918484
Energy: 1.2621851180746586
Energy: 1.0112696445363083
Energy: 1.2621851180722605
Energy: 0.9428311703877659
Energy: 1.1098067967504304
Energy: 1.075972918000982
Energy: 1.109806796749631
Energy: 1.082288492102699
Energy: 1.2208957057266812
Energy: 1.024828047655827
Energy: 1.2208957057338752
Energy: 1.0424012466442578
Energy: 1.027431366083189
Energy: 1.0356679128034167
Energy: 1.0274313660775938
Energy: 1.1911719046312554
Energy: 1.0860663439573814
Energy: 1.006002408987849
Energy: 1.0860663439557827
Energy: 1.042123993999218
Energy: 1.0276409313301058
Energy: 0.98087300163092
Energy: 1.0276409313365003
Energy: 0.879175210075036
Energy: 1.0804167116915546
Energy: 1.0732627032422735
Energy: 1.0804167116939527
Energy: 1.0432974140765945
Energy: 1.1092002063183792
Energy: 1.124275998026274
Energy: 1.1092002063191786
Energy: 0.977658272482085
Energy: 1.1530792597915949
Energy: 1.005846301306298
Energy: 1.1530792597947923
Energy: 1.0450297478628428
Energy: 1.2172847251823196
Energy: 1.0043548033861658
Energy: 1.2172847251767245
Energy: 1.0425654734926486
Energy: 1.030409653826131
Energy: 1.005490802094538
Energy: 1.0304096538277294
Energy: 1.0099803028569987
Energy: 1.1200844001663712
Energy: 1.0031659921427558
Energy: 1.1200844001711305
Energy: 1.0451698217970344
Energy: 1.1747856288477772
Energy: 1.202347924959992
Energy: 1.1747856288493757
Energy: 0.9879614287977139
Energy: 1.2314486393033814
Energy: 1.1374010422742151
Energy: 1.2314486393017827
Energy: 1.0451691756721129
Energy: 1.1130361891266969
Energy: 1.017834893191962
Energy: 1.1130361891211016
Energy: 1.0445474178883865
Energy: 1.2728346631426957
Energy: 1.003328161009369
Energy: 1.272834663138699
Energy: 1.0460565626625176
Energy: 1.1480381847571428
Energy: 1.0038487249051244
Energy: 1.1480381847571428
Energy: 1.043355254366265
Energy: 1.1429405902945708
Energy: 1.0047498781601092
Energy: 1.1429405903001661
Energy: 0.9687956330978229
Energy: 1.1530371078831352
Energy: 1.0724325891113218
Energy: 1.153037107882336
Energy: 1.0426979282247373
Energy: 1.155908079772807
Energy: 1.144994474934811
Energy: 1.1559080797720078
Energy: 1.1431242427589408
Energy: 1.0510513306616645
Energy: 1.0049194224363418
Energy: 1.0510513306640623
Energy: 1.2604360844336804
Energy: 1.0289339100051262
Energy: 1.0316815384224334
Energy: 1.028933910009922
Energy: 1.0775945576977504
Energy: 1.1448444644243234
Energy: 1.00534785560498
Energy: 1.1448444644195275
Energy: 0.971086451346186
Energy: 1.1526952516031386
Energy: 1.0093446677049733
Energy: 1.1526952515919482
Energy: 1.0817275465697416
Energy: 1.2178428880789696
Energy: 1.0827865347804595
Energy: 1.217842888074973
Energy: 0.9607656194508384
Energy: 1.1169016680357418
Energy: 1.0773706975122193
Energy: 1.1169016680365411
Energy: 1.110571764859214
Energy: 1.1475807268353928
Energy: 0.972697633531333
Energy: 1.14758072683859
Energy: 1.2066718677249573
Energy: 1.1025921833830856
Energy: 1.0770175056628999
Energy: 1.1025921833822865
Energy: 1.110640788323921
Energy: 1.1474257952056564
Energy: 1.1402701900268957
Energy: 1.1474257952080544

minimum gb energy = 0.879175210075036 eV
minimum distance =  2.33515811833289 Angstroms
sigma value = 29


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

Energy: 1.0384100387655952
Energy: 0.9419232774711384
Energy: 1.1870636843345337
Energy: 0.9419232774716951
Energy: 0.9793525607883101
Energy: 1.031268953640446
Energy: 1.1520752971483295
Energy: 1.031268953399082
Energy: 0.926838938238176
Energy: 1.216086847219248
Energy: 0.9748224303792223
Energy: 1.2160868472186912
Energy: 1.1523417896159731
Energy: 1.0478704024658896
Energy: 1.1519322984746125
Energy: 1.0478704019994656
Energy: 1.0305678492544599
Energy: 1.040917655348236
Energy: 0.9412394421600159
Energy: 1.0409176553490713
Energy: 0.9316599467246931
Energy: 1.3378420366940127
Energy: 0.9314233683145904
Energy: 1.3378420366934558
Energy: 0.9272143113946779
Energy: 1.0413916775899534
Energy: 1.0302945542517978
Energy: 1.0413916775910361
Energy: 1.1519885337399938
Energy: 1.0479705476495147
Energy: 1.1524254498592261
Energy: 1.047970547647875
Energy: 0.9745073011643723
Energy: 1.2161667622636794
Energy: 0.9744651899467028
Energy: 1.2161667622636794

minimum gb energy = 0.926838938238176 eV
minimum distance =  2.34944768545517 Angstroms
sigma value = 5


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

Energy: 1.00458413001006
Energy: 0.9544728204492899
Energy: 1.2219310344818983
Energy: 0.9544728204508002
Energy: 1.1726069174675897
Energy: 0.9815125774403748
Energy: 0.93127520824888
Energy: 0.9815125773912964
Energy: 0.9371477403778851
Energy: 0.9078291910392999
Energy: 1.0933746574463385
Energy: 0.907829191038545
Energy: 0.897007325327822
Energy: 1.014874563203265
Energy: 0.9677320220380456
Energy: 1.014874563203265
Energy: 0.9714446015658641
Energy: 1.035593184099131
Energy: 1.1351514098466844
Energy: 1.035593184099131
Energy: 0.8670532892439
Energy: 0.9506040869720528
Energy: 0.9310113446160461
Energy: 0.950604086973563
Energy: 0.9361241793822285
Energy: 1.0628892687078182
Energy: 0.9391490453174127
Energy: 1.0628892687093283
Energy: 0.9359304593924862
Energy: 0.94966114696672
Energy: 0.9363416361599473
Energy: 0.9496611469659649
Energy: 0.9722462481186895
Energy: 1.0370550926028324
Energy: 0.9070923364228594
Energy: 1.0370550926050974
Energy: 0.9712674112969072
Energy: 1.0369974408440292
Energy: 0.9032706512264491
Energy: 1.036997440843274
Energy: 0.8856336882733361
Energy: 1.0165169731547485
Energy: 0.9384334865079877
Energy: 1.0165169731509733
Energy: 0.9359037005373673
Energy: 0.9551742880291398
Energy: 0.9601484011569866
Energy: 0.9551742880306499
Energy: 0.8640898988336251
Energy: 0.951765098066199
Energy: 0.9574260149025761
Energy: 0.951765098066954
Energy: 0.9708931433053929
Energy: 0.9520027467028559
Energy: 1.1728794219876422
Energy: 0.9520027467021007
Energy: 1.070233464078676
Energy: 0.9606439152877873
Energy: 0.9351108176597508
Energy: 0.960643915285522
Energy: 0.967084696925609
Energy: 0.9087077265046871
Energy: 0.8519013436430911
Energy: 0.9087077265054423
Energy: 1.175177205941681
Energy: 0.9586373432964462
Energy: 0.9311805403730014
Energy: 0.9586373433047518
Energy: 0.9727841280115679
Energy: 0.9521805974270405
Energy: 0.8170881057728022
Energy: 0.9521805974270405
Energy: 0.9562759094088086
Energy: 1.0365187161171188
Energy: 0.9322062505178941
Energy: 1.0365187161156086
Energy: 0.9370237868576557
Energy: 1.0216506870146769
Energy: 0.9464378629593556
Energy: 1.0216506870161872
Energy: 0.8966400899484414
Energy: 1.0163027522124732
Energy: 0.9686274275586544
Energy: 1.0163027522177586
Energy: 0.9729007970682366
Energy: 1.0357043268753547
Energy: 0.9725250966523062
Energy: 1.0357043268745998
Energy: 0.9332077346353965
Energy: 0.9502749375387243
Energy: 0.896670671219564
Energy: 0.9502749375379692
Energy: 0.9569936426065371
Energy: 1.0858629382869462
Energy: 0.9369887376655444
Energy: 1.0858629382861913
Energy: 0.9558508433935686
Energy: 0.9775122777279461
Energy: 0.9370434241346043
Energy: 0.9775122777294561
Energy: 0.966711754509539
Energy: 0.9515469837003919
Energy: 0.9719228523032909
Energy: 0.9515469837011469
Energy: 0.9307606294669506
Energy: 0.9474905632733696
Energy: 0.9493107419898184
Energy: 0.9474905632733696
Energy: 0.789194668814276
Energy: 0.9598959516844997
Energy: 0.9670467718921325
Energy: 0.9598959516641132
Energy: 0.9355387567691325
Energy: 0.9769412646237815
Energy: 1.2111656066510115
Energy: 0.976941264615476
Energy: 1.048334086590813
Energy: 0.952666609579788
Energy: 0.9726763813931181
Energy: 0.9526666095805432
Energy: 0.9307969299001488
Energy: 0.9380192153502805
Energy: 0.9939567958676284
Energy: 0.9380192153510356
Energy: 1.2409371863810421
Energy: 0.9069087766790116
Energy: 0.9349835684587641
Energy: 0.9069087766797665
Energy: 0.968049356455848
Energy: 1.0172248346138117
Energy: 0.8985982158909629
Energy: 1.0172248346145667

minimum gb energy = 0.789194668814276 eV
minimum distance =  2.32920691672873 Angstroms
sigma value = 1


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

Energy: 1.1088868790241413
Energy: 0.9350120388306695
Energy: 1.1587325227786476
Energy: 0.9350120388369334
Energy: 1.0213534341017707
Energy: 0.9187140093763604
Energy: 0.9221539192184715
Energy: 0.9187140093763604
Energy: 0.9141686228795786
Energy: 0.9105562208359023
Energy: 1.0599110246324435
Energy: 0.9105562208379903
Energy: 0.8640220496500989
Energy: 0.9905582492551974
Energy: 0.9530963739781277
Energy: 0.9905582492531094
Energy: 0.8684583474599294
Energy: 1.0224176694944418
Energy: 1.2914568260405155
Energy: 1.0224176694923537
Energy: 0.8632673885738977
Energy: 0.9881366172914006
Energy: 0.9532248160212669
Energy: 0.9881366172924445
Energy: 0.8745443703370173
Energy: 1.0640788686113034
Energy: 0.9885342513209624
Energy: 1.0640788686113034
Energy: 0.8825748773816021
Energy: 0.9120184755428755
Energy: 0.8660244648218418
Energy: 0.9120184755439195
Energy: 0.9199988200588721
Energy: 0.9353425102325582
Energy: 0.864878248048863
Energy: 0.9353425102294263
Energy: 0.9197724317735062
Energy: 1.040786100214996
Energy: 0.8408058443162858
Energy: 1.040786100214996
Energy: 0.8770085353810505
Energy: 0.9842316042108831
Energy: 0.8907295812241325
Energy: 0.984231604207751
Energy: 0.8806154879263052
Energy: 1.0220507925032745
Energy: 0.9890102404013354
Energy: 1.0220507925022306
Energy: 0.8716019924461992
Energy: 0.9846341067443616
Energy: 0.9394898389008616
Energy: 0.9846341067433176
Energy: 0.8672567074331836
Energy: 0.9309423742319005
Energy: 1.0123919206127463
Energy: 0.930942374375923
Energy: 0.8843080608463267
Energy: 0.9899584759424684
Energy: 0.9386263912911976
Energy: 0.9899584759424684
Energy: 0.91463527822382
Energy: 0.9136185674184328
Energy: 0.853126353608387
Energy: 0.9136185674194768
Energy: 1.1998676265984394
Energy: 0.9166908824663196
Energy: 0.9189929215471287
Energy: 0.9166908824663196
Energy: 1.1088868790251856
Energy: 0.9350120388317135
Energy: 0.725029538114714
Energy: 0.9350120388296255
Energy: 1.0219197741179376
Energy: 0.9187140093784483
Energy: 0.9221539192184715
Energy: 0.9187140093794922
Energy: 0.9141686228795786
Energy: 0.9105562208369463
Energy: 1.0904808701865063
Energy: 0.9105562208400784
Energy: 0.8640220496281751
Energy: 0.9905582492541534
Energy: 0.9530963739781277
Energy: 0.9905582492520654
Energy: 0.8684583474599294
Energy: 1.0224176694933977
Energy: 1.1877459023857335
Energy: 1.0224176694923537
Energy: 0.8632673885749417
Energy: 0.9881366172903566
Energy: 0.9532248160202229
Energy: 0.9881366172934886
Energy: 0.8745443703359732
Energy: 1.0640788686102591
Energy: 1.008129372479262
Energy: 1.0640788686113034

minimum gb energy = 0.725029538114714 eV
minimum distance =  2.33166674321463 Angstroms
sigma value = 17


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

Energy: 0.9884596184718977
Energy: 0.892971208400382
Energy: 1.1905243917578783
Energy: 0.8929712084016724
Energy: 0.9960288141123896
Energy: 0.8943507549169618
Energy: 0.8739647273863267
Energy: 0.8943507549137355
Energy: 0.8745058164924422
Energy: 0.8563666358426314
Energy: 1.0078395133187164
Energy: 0.8563666358426314
Energy: 0.8053055601626825
Energy: 0.8707564853067241
Energy: 0.8723049652850858
Energy: 0.8707564853067241
Energy: 0.8424627841945039
Energy: 0.9561958027873371
Energy: 0.9536247387042718
Energy: 0.9561958027860465
Energy: 0.811784245734514
Energy: 1.1538679045494804
Energy: 0.902817954700899
Energy: 1.1538679045488354
Energy: 0.8732089435819332
Energy: 0.9239158372044649
Energy: 0.8635374013419888
Energy: 0.9239158372038196
Energy: 0.8598558639240044
Energy: 1.1338430907900667
Energy: 0.8432218300974236
Energy: 1.1338430907881312
Energy: 0.8600156401025032
Energy: 1.1808426300791337
Energy: 0.8369250824449093
Energy: 1.1808426300759074
Energy: 0.8616756992161447
Energy: 0.9649069530089994
Energy: 0.8736904558841492
Energy: 0.9649069530089994
Energy: 0.8741658115941614
Energy: 0.9141934949918686
Energy: 0.8412332990034593
Energy: 0.9141934949938045
Energy: 0.8737122413230481
Energy: 0.9582959742361303
Energy: 0.8443246944346336
Energy: 0.9582959742354851
Energy: 0.811565684953169
Energy: 1.1525879516770454
Energy: 0.87568160965814
Energy: 1.1525879516725286
Energy: 0.8429330649144443
Energy: 0.9618462971017094
Energy: 0.8995296415215986
Energy: 0.9618462971030001
Energy: 0.8422110991357596
Energy: 1.1437548677564517
Energy: 0.8967789521762856
Energy: 1.1437548677570968
Energy: 0.872898211214504
Energy: 1.1200118647095054
Energy: 0.961709343154979
Energy: 1.1200118647075696
Energy: 0.8549120858552901
Energy: 1.1415130651999623
Energy: 0.8753677650273982
Energy: 1.1415130651999623
Energy: 0.8997594355352811
Energy: 0.8918198934686781
Energy: 0.8158460579036195
Energy: 0.8918198934693233
Energy: 1.1565675218593008
Energy: 0.9466290648969957
Energy: 0.8731573735222549
Energy: 0.9466290649008673
Energy: 0.9169425881443644
Energy: 0.8563453611326769
Energy: 0.8291652149823993
Energy: 0.8563453611313864
Energy: 0.9775396972773998
Energy: 0.8781783225086183
Energy: 0.871839072172867
Energy: 0.8781783225150709
Energy: 0.8869931787102227
Energy: 1.158140006607701
Energy: 0.9771670773626254
Energy: 1.1581400066057652
Energy: 0.9933567500365292
Energy: 0.8980057100535568
Energy: 0.9179293657247358
Energy: 0.8980057096775428
Energy: 0.8731437627532327
Energy: 0.9237755790703283
Energy: 1.0431605131470048
Energy: 0.9237755790716188
Energy: 0.784435533582353
Energy: 0.8918439579728634
Energy: 0.8718632040302651
Energy: 0.8918439579715729
Energy: 0.8892470211121185
Energy: 0.9576560443322115
Energy: 0.8509871122899236
Energy: 0.9576560443315663
Energy: 1.0282377896307606
Energy: 0.9520585416213012
Energy: 0.8727822364519023
Energy: 0.9520585416200107
Energy: 0.8963076710299613
Energy: 1.1387674448147693
Energy: 0.8414508924813299
Energy: 1.138767444814124
Energy: 0.897845556485807
Energy: 0.959641273195744
Energy: 0.8424282377837824
Energy: 0.9596412731925178
Energy: 0.8748199294726953
Energy: 1.1519606467820735
Energy: 0.8264498468794164
Energy: 1.151960646782719
Energy: 0.843275655371012
Energy: 0.9610329571779641
Energy: 0.873968766107837
Energy: 0.9610329571766736
Energy: 0.8445387407821128
Energy: 1.1227928090745987
Energy: 0.8743329455367723
Energy: 1.1227928090745987
Energy: 0.8741621924008195
Energy: 0.9781766720379206
Energy: 1.0385919880244479
Energy: 0.9781766720359847
Energy: 0.8264212802766213
Energy: 1.1712997784418937
Energy: 0.9052103863834715
Energy: 1.1712997784431842
Energy: 0.8456057358885734
Energy: 0.891814268362745
Energy: 0.8587381727211553
Energy: 0.8918142683646808
Energy: 0.864620138999219
Energy: 0.9257004883174467
Energy: 0.8735061012758729
Energy: 0.9257004883174467
Energy: 0.9171309017559999
Energy: 0.898606636090283
Energy: 0.8124983305134797
Energy: 0.8986066360909282
Energy: 1.048644717898841
Energy: 0.9593739988533788
Energy: 0.8893125680208457
Energy: 0.9593739989681774

minimum gb energy = 0.784435533582353 eV
minimum distance =  2.32962171325426 Angstroms
sigma value = 89


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

Energy: 0.8258222461966253
Energy: 0.7753778179979927
Energy: 0.29876780216159704
Energy: 0.7753778179979927
Energy: 0.7660608408154005
Energy: 0.8618686961810899
Energy: 0.7815643069553131
Energy: 0.8618686961810899
Energy: 0.7815790314156553
Energy: 1.00536091920946
Energy: 1.1073259239099378
Energy: 1.00536091920946
Energy: 0.7141988837184134
Energy: 0.8607235036173437
Energy: 0.7808589661209746
Energy: 0.8607235036173437
Energy: 0.8017604744515712
Energy: 0.8565477919590705
Energy: 0.7472528934859473
Energy: 0.8565477919590705
Energy: 0.7982283116839485
Energy: 0.777528764017756
Energy: 0.7792823835514012
Energy: 0.777528764017756
Energy: 0.7848317909726111
Energy: 1.0060053158368998
Energy: 0.7821882646899279
Energy: 1.0060053158368998
Energy: 0.6277530685796591
Energy: 1.0032759008254288
Energy: 0.7825512004393284
Energy: 1.0032759007241665
Energy: 0.8025813343404791
Energy: 0.8567840439048805
Energy: 0.7154960772464004
Energy: 0.8567840439048805
Energy: 0.8356537326879498
Energy: 0.8522932759548603
Energy: 0.7803474805858608
Energy: 0.8522932757759721
Energy: 0.7851769071479618
Energy: 0.864159945021752
Energy: 0.7757967290169364
Energy: 0.864159945021752
Energy: 0.7875049763208721
Energy: 1.0127262973932625
Energy: 0.7816114992600243
Energy: 1.0127262973932625
Energy: 0.8040315264752685
Energy: 0.7798825007473917
Energy: 0.6413422886035604
Energy: 0.7798825007473917
Energy: 0.7817054395078015
Energy: 0.8589679881222724
Energy: 0.782207171258198
Energy: 0.8589679881222724
Energy: 0.7187279755736604
Energy: 0.7800619583729066
Energy: 0.804548222782394
Energy: 0.780061958374595

minimum gb energy = 0.29876780216159704 eV
minimum distance =  2.3298773191317 Angstroms
sigma value = 13


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

Energy: 0.80319508048735
Energy: 0.7075946903886786
Energy: 0.3721841386550134
Energy: 0.707594690371695
Energy: 0.925112401490751
Energy: 0.7605682724734005
Energy: 0.6606105979121323
Energy: 0.760568272466324
Energy: 0.7323649207285303
Energy: 0.7097567486377582
Energy: 0.6936096557221493
Energy: 0.7097567486363429
Energy: 0.6884909140403135
Energy: 0.7608445253920948
Energy: 0.6673265311071168
Energy: 0.760844525387849
Energy: 0.7276837688573156
Energy: 0.7657052161865764
Energy: 1.0173973409373571
Energy: 0.7657052161886994
Energy: 0.6249091355697141
Energy: 0.7612240009765393
Energy: 0.7094208603782015
Energy: 0.7612240009638018
Energy: 0.7280135047447976
Energy: 0.7993814778332535
Energy: 1.2319539927515173
Energy: 0.7993814778452835
Energy: 0.5877411546675314
Energy: 0.7619283295449808
Energy: 0.7086221604087
Energy: 0.7619283295478114
Energy: 0.728109295715871
Energy: 0.7995906313920317
Energy: 0.9532957164923678
Energy: 0.7995906313969852
Energy: 0.8478127270690609
Energy: 0.8213351304102545
Energy: 0.6760469982317892
Energy: 0.821335130417331
Energy: 0.7246714021052222
Energy: 0.8159931062284053
Energy: 0.5877854082890496
Energy: 0.8159931062305282
Energy: 1.064343808047991
Energy: 0.8175675598939602
Energy: 0.6700158771730145
Energy: 0.8175675599010367
Energy: 0.7596112911545371
Energy: 0.7360582470384558
Energy: 0.5875129879409866
Energy: 0.7360582470377482
Energy: 1.0887569512683402
Energy: 0.817959654118024
Energy: 0.6648181413770066
Energy: 0.817959654101748
Energy: 0.7248951863386698
Energy: 0.7102894350043895
Energy: 0.5843277573413487
Energy: 0.7102894350135889
Energy: 0.6612498467404829
Energy: 0.8168747670709091
Energy: 0.686226977976383
Energy: 0.8168747670716168
Energy: 0.6589602146395965
Energy: 0.7106196126896871
Energy: 0.6738226679416718
Energy: 0.7106196126967635
Energy: 0.6585081986296132
Energy: 0.8000989023699929
Energy: 0.7147584176529197
Energy: 0.8000989023777771
Energy: 0.6595718198356814
Energy: 0.8002264575806524
Energy: 0.7148722441970531
Energy: 0.8002264575799446
Energy: 0.660062330011876
Energy: 0.8003611073652211
Energy: 0.7150005795484695
Energy: 0.8003611073602677
Energy: 0.659340138392113
Energy: 0.8002108255284157
Energy: 0.7143824344336974
Energy: 0.8002108255404456
Energy: 0.6594002160584399
Energy: 0.7111381203487667
Energy: 0.6747212318165403
Energy: 0.7111381203487667
Energy: 0.6612890076863916
Energy: 0.8168228768800998
Energy: 0.6869329607789019
Energy: 0.8168228768808076
Energy: 0.7244214991267356
Energy: 0.711032920155955
Energy: 0.5847072737305071
Energy: 0.7110329201524167
Energy: 1.0893997164638876
Energy: 0.8178706011519684
Energy: 0.6677355382414889
Energy: 0.8178706011463073
Energy: 0.7607294202023221
Energy: 0.7361209362584578
Energy: 0.5859096927256742
Energy: 0.7361209362591653
Energy: 1.063829704414674
Energy: 0.8188767681895349
Energy: 0.6633115257702049
Energy: 0.8188767682043956
Energy: 0.7246033734664287
Energy: 0.8146694208573009
Energy: 0.5859616498055257
Energy: 0.8146694208594238
Energy: 0.8484214004047007
Energy: 0.8213507065270836
Energy: 0.6766008584244467
Energy: 0.8213507070646395
Energy: 0.7280575125646285
Energy: 0.7993030715429702
Energy: 1.029999969412584
Energy: 0.7993030715351861
Energy: 0.5904980156921934
Energy: 0.7614652682519941
Energy: 0.7090501707473978
Energy: 0.7614652682491635
Energy: 0.7273210627427913
Energy: 0.8052786321390235
Energy: 1.2320172647518006
Energy: 0.8052786321298242
Energy: 0.6261193020548077
Energy: 0.7612355021296663
Energy: 0.7090768965151647
Energy: 0.7612355020816104
Energy: 0.7273766496825218
Energy: 0.7680057500888413
Energy: 1.0066032469152753
Energy: 0.7680057500966254
Energy: 0.6885067820282592
Energy: 0.7610766093700243
Energy: 0.6672499934234617
Energy: 0.7610766093636554

minimum gb energy = 0.3721841386550134 eV
minimum distance =  2.32317710831152 Angstroms
sigma value = 37


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

Energy: 0.7179922232312496
Energy: 0.7153264018860042
Energy: 0.13391540259548937
Energy: 0.7153264018860042
Energy: 0.6401902349958094
Energy: 0.6918907139710758
Energy: 0.5481378869817597
Energy: 0.6918907139759458
Energy: 0.608437692951891
Energy: 0.7954095283410357
Energy: 0.7407704386773751
Energy: 0.7954095283349483
Energy: 0.5603726621371576
Energy: 0.6967788136217747
Energy: 0.5480858669342447
Energy: 0.6967788136205574
Energy: 0.604765640144218
Energy: 0.7074876283898327
Energy: 0.8447333200560591
Energy: 0.7074876283910502
Energy: 0.47588078777193815
Energy: 0.7061694430132687
Energy: 0.61164774552419
Energy: 0.7061694430132687
Energy: 0.5598969191371611
Energy: 0.7653600681564251
Energy: 0.9464338223542176
Energy: 0.7653600681576426
Energy: 0.5525698917363223
Energy: 0.7134790071935639
Energy: 0.721529643769861
Energy: 0.7134790071935639
Energy: 0.6028468348814041
Energy: 0.7100231518986504
Energy: 0.9393530250244835
Energy: 0.7100231518998679
Energy: 0.7322192793574329
Energy: 0.7898548742286697
Energy: 0.5512304638792755
Energy: 0.7898548742469319
Energy: 0.5924801917293272
Energy: 0.7648036705829648
Energy: 0.5690847019449419
Energy: 0.7648036705829648
Energy: 0.9511204096734428
Energy: 0.7100995685505421
Energy: 0.6047763124766897
Energy: 0.7100995685505421
Energy: 0.6023771902025364
Energy: 0.710846081655067
Energy: 0.41517045154890864
Energy: 0.710846081655067
Energy: 0.9490248431357492
Energy: 0.7655790243724229
Energy: 0.5574515201416549
Energy: 0.7655790243724229
Energy: 0.7205925735585519
Energy: 0.7702541147269462
Energy: 0.543486045079457
Energy: 0.7702541147269462
Energy: 0.6838008208910831
Energy: 0.6984925816224951
Energy: 0.5969168504070987
Energy: 0.6984925816224951
Energy: 0.6034805281583415
Energy: 0.7869400850515725
Energy: 0.44802193983809846
Energy: 0.7869400850515725
Energy: 0.5742901308841889
Energy: 0.7582757554587547
Energy: 0.557927090874582
Energy: 0.758275755462407
Energy: 0.5510162196372134
Energy: 0.7018273642092289
Energy: 0.5405364186243397
Energy: 0.7018273642092289
Energy: 0.5769460331639359
Energy: 0.7033179946323226
Energy: 0.5852762663810257
Energy: 0.7033179946298875

minimum gb energy = 0.13391540259548937 eV
minimum distance =  2.35778751454168 Angstroms
sigma value = 25


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

Energy: 0.7687700321435122
Energy: 0.5418687324829343
Energy: -0.4512986153065798
Energy: 0.5418687324829343
Energy: 1.1346122721636063
Energy: 0.5726867505990704
Energy: 0.566620894804246
Energy: 0.5726867469519398
Energy: 0.6956686313547937
Energy: 0.5615101809178774
Energy: 0.5046339708773239
Energy: 0.5615101809188281
Energy: 0.8498701128055784
Energy: 0.6031269523981088
Energy: 0.5719225123751605
Energy: 0.6031269524009608
Energy: 0.576093679184099
Energy: 0.5677649980577419
Energy: 0.48105937451407593
Energy: 0.5677649980539391
Energy: 0.5423390162426225
Energy: 0.5480753241025602
Energy: 0.5539642579735473
Energy: 0.5480753240892505
Energy: 0.5499900855219574
Energy: 0.5326732493169932
Energy: 0.8587009315833523
Energy: 0.5326732493141412
Energy: 0.3114727823119256
Energy: 0.622455117769827
Energy: 0.7181020004296598
Energy: 0.6224551177755312
Energy: 0.568036560019999
Energy: 0.5841140075305283
Energy: 1.2012186329742967
Energy: 0.5841140075295775
Energy: 0.4110056902858212
Energy: 0.5342460799771528
Energy: 0.6406503068347797
Energy: 0.5342460799743007
Energy: 0.5242403030496012
Energy: 0.5342877477364062
Energy: 1.0045292459864426
Energy: 0.534287747740209
Energy: 0.5055466311510194
Energy: 0.6007915694040241
Energy: 0.7184704802859269
Energy: 0.6007915694191919
Energy: 0.5696887928860912
Energy: 0.6033386588057146
Energy: 0.7656451971809538
Energy: 0.6033386588076158
Energy: 0.7404060026919393
Energy: 0.580441341978504
Energy: 0.5537495719837837
Energy: 0.5804413419775533
Energy: 0.550479888281664
Energy: 0.5349127980498134
Energy: 0.5577026520082553
Energy: 0.5349127980507641
Energy: 0.8677762859908711
Energy: 0.6849914629464146
Energy: 0.54337080977293
Energy: 0.6849914630452437
Energy: 0.6754640066528044
Energy: 0.6238127490887362
Energy: -0.000543783211607871
Energy: 0.6238127490906374
Energy: 0.9694834191203704
Energy: 0.5778936858655059
Energy: 0.5563132733029202
Energy: 0.5778936858693089
Energy: 0.7849395973793913
Energy: 0.5477718477216268
Energy: 0.38265913071976326
Energy: 0.5477718477254296
Energy: 1.1444011266442229
Energy: 0.7025760164168948
Energy: 0.5433769480534086
Energy: 0.7025760164168948
Energy: 0.7052380664829808
Energy: 0.6830543013274373
Energy: 0.22751177700204872
Energy: 0.6830543013397964
Energy: 0.6717213044966818
Energy: 0.6042052622902903
Energy: 0.5334336162908672
Energy: 0.6042052623026495
Energy: 0.550367219795834
Energy: 0.5874873791810344
Energy: 0.7395014152129167
Energy: 0.587487379182936
Energy: 0.5578993616947915
Energy: 0.7028148208019224
Energy: 0.544078367664044
Energy: 0.7028148208028732
Energy: 0.5381698254499225
Energy: 0.6041760531654711
Energy: 0.8778515315643753
Energy: 0.6041760531939921
Energy: 0.4376227027604672
Energy: 0.624127549815923
Energy: 0.7000794560366721
Energy: 0.6241275498149724

minimum gb energy = -0.4512986153065798 eV
minimum distance =  2.36209287133039 Angstroms
sigma value = 41


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

Energy: 0.9233547061575713
Energy: 0.4915157054892084
Energy: -0.30841972053267186
Energy: 0.49151570549076723
Energy: 1.199665027624144
Energy: 0.46546978383251986
Energy: 0.4631271509005802
Energy: 0.46546978383251986
Energy: 0.5170979171226824
Energy: 0.42813677610794404
Energy: 0.2257944398259167
Energy: 0.42813677610872347
Energy: 0.7088828085260758
Energy: 0.4567472206689388
Energy: 0.46252387818097773
Energy: 0.45674722066815926
Energy: 0.46609187851504924
Energy: 0.5228834406754568
Energy: 0.36477554459806116
Energy: 0.5228834406770156
Energy: 0.5000597700197841
Energy: 0.45857837767221066
Energy: 0.46239620769956885
Energy: 0.45857837765116644
Energy: 0.4632921423523953
Energy: 0.4478223401999235
Energy: 0.5211728968482287
Energy: 0.447822340200703
Energy: 0.25909807838071813
Energy: 0.4891137224644295
Energy: 0.4644429666120243
Energy: 0.48911372246598833
Energy: 0.4614888939774375
Energy: 0.48216013881454095
Energy: 0.858269799565117
Energy: 0.48216013884182046
Energy: 0.15054439095629882
Energy: 0.41751326612448075
Energy: 0.5173643651522054
Energy: 0.41751326612526013
Energy: 0.46459828521197805
Energy: 0.44713693145025113
Energy: 1.0159353368092734
Energy: 0.4471369314494717
Energy: 0.24800674837149117
Energy: 0.4911803110141915
Energy: 0.9383825300897347
Energy: 0.4911803110149709
Energy: 0.4610283030204034
Energy: 0.8046684922885166
Energy: 0.4728210670125705
Energy: 0.8046684922892958
Energy: 0.13095379572917515
Energy: 0.5320948195107419
Energy: 0.5171455730516313
Energy: 0.5320948194827182
Energy: 0.46520981694204905
Energy: 0.46365798939827413
Energy: 0.7787148994014804
Energy: 0.4636579893974947
Energy: 0.5167735295972555
Energy: 0.4868638715269824
Energy: 0.46557239052120164
Energy: 0.48686387152776184
Energy: 0.4614881819005025
Energy: 0.8034614467586639
Energy: 0.5297380681033419
Energy: 0.8034614467563257
Energy: 0.51408460161504
Energy: 0.5323801613636738
Energy: 0.46257826423704373
Energy: 0.5323801613691297
Energy: 0.4645439638389018
Energy: 0.49495657633519785
Energy: 0.26089337905102045
Energy: 0.49495657633519785
Energy: 0.634356036029728
Energy: 0.48233114379869363
Energy: 0.40929763162690314
Energy: 0.48233114380570835
Energy: 0.5172652392882637
Energy: 0.806867548473546
Energy: 0.11028701120980744
Energy: 0.806867548473546
Energy: 0.9916313304467292
Energy: 0.8321078750241552
Energy: 0.46318710935903723
Energy: 0.8321078750257139
Energy: 0.937308888721114
Energy: 0.49024093778278577
Energy: 0.16705867320313605
Energy: 0.4902409377788886
Energy: 0.8449598102772968
Energy: 0.8033086620435786
Energy: 0.3929984432769098
Energy: 0.8033086620443581
Energy: 0.5178405593504262
Energy: 0.5443004210274349
Energy: -0.12064357872198235
Energy: 0.5443004210289938
Energy: 0.731813858647478
Energy: 1.125670209732388
Energy: 0.46364975021594973
Energy: 1.1256702097331674
Energy: 0.465281038353464
Energy: 0.48968553750480215
Energy: 0.520926661347457
Energy: 0.4896855375157139
Energy: 0.3587111650537417
Energy: 0.8025033933627616
Energy: 0.3963888806225279
Energy: 0.8025033933627616
Energy: 0.42140254466569577
Energy: 0.5430124063314835
Energy: 0.5208123384404122
Energy: 0.5430124063065421
Energy: 0.2664142698910944
Energy: 0.8579518944985048
Energy: 0.3656225789052751
Energy: 0.8579518944992842
Energy: 0.4014338173204548
Energy: 0.4833863838745095
Energy: 0.6446135718130298
Energy: 0.4833863838752889
Energy: 0.2260773103570314
Energy: 0.8021183741577007
Energy: 0.5180192704335418
Energy: 0.8021183741577007

minimum gb energy = -0.30841972053267186 eV
minimum distance =  2.27799104670561 Angstroms
sigma value = 15


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

Energy: 0.7688033346730925
Energy: 0.3123800642222939
Energy: -1.0053043419619483
Energy: 0.31238006441635446
Energy: 0.931871015056282
Energy: 0.378403314036925
Energy: 0.4306254700401652
Energy: 0.378403314036925
Energy: 0.4719124614347125
Energy: 0.38929450593860004
Energy: -0.3673188073184791
Energy: 0.3892945059399206
Energy: 0.7358500813596545
Energy: 0.3897545808820521
Energy: 0.43097338971043025
Energy: 0.3897545808846932
Energy: 0.43193607483128543
Energy: 0.6309505453096232
Energy: 0.05945148877664713
Energy: 0.6309505454568044
Energy: 0.49487448983770665
Energy: 0.3835820022769636
Energy: 0.43126211750933385
Energy: 0.38358200227828415
Energy: 0.4319080991109473
Energy: 0.4203366622640638
Energy: 0.36304972588641843
Energy: 0.42033666226274324
Energy: 0.26368384829031655
Energy: 0.4195464239251329
Energy: 0.4321776280841893
Energy: 0.41954642392579317
Energy: 0.4313852946625481
Energy: 0.4086398943559312
Energy: 0.4255528146310209
Energy: 0.4086398943526298
Energy: 0.15547815664072456
Energy: 0.38774678770365
Energy: 0.4317324468666969
Energy: 0.3877467874983647
Energy: 0.43308758500997807
Energy: 0.3855571988609545
Energy: 0.8613545955660574
Energy: 0.385557198869538
Energy: -0.27323543666959327
Energy: 0.3895951974362393
Energy: 0.47246427711884165
Energy: 0.3895951974375598
Energy: 0.4319134525224542
Energy: 0.40253290079952775
Energy: 1.0121245278544844
Energy: 0.4025329008015086
Energy: 0.055556099107310776
Energy: 0.36972728058635235
Energy: 0.8323808976687124
Energy: 0.36972728077645123
Energy: 0.4313291138838694
Energy: 0.37988562011849714
Energy: 1.0284465013390869
Energy: 0.3798856514886622
Energy: -0.3208936049457825
Energy: 0.38857991739233316
Energy: 0.47219909105031843
Energy: 0.388579917389692
Energy: 0.43248725569357294
Energy: 0.40280269482974285
Energy: 0.7786095264070895
Energy: 0.40280269484817055
Energy: 0.3654555104321189
Energy: 0.6243779037229504
Energy: 0.431922352826331
Energy: 0.6243779037236107
Energy: 0.43228606133106984
Energy: 0.38183469475062504
Energy: 0.5061369808407995
Energy: 0.38183469474996484
Energy: 0.3619370549628853
Energy: 0.38808944714383753
Energy: 0.43254101957894375
Energy: 0.38808944714053617
Energy: 0.4327364556005511
Energy: 0.4415144700246437
Energy: 0.16861256763151825
Energy: 0.4415144699982328
Energy: 0.46321588962039445
Energy: 0.41613038748992454
Energy: 0.4316828166680362
Energy: 0.41613038748992454
Energy: 0.43237401573437817
Energy: 0.3803274915463861
Energy: 0.14393551492946507
Energy: 0.3803274915391231
Energy: 0.7830037493157628
Energy: 0.38660189465814865
Energy: 0.4323874852827312
Energy: 0.38660189465814865
Energy: 0.4725730966249593
Energy: 0.4411971725212765
Energy: -0.7325937305821191
Energy: 0.44119717251863544
Energy: 0.9100373177957729
Energy: 0.40012363203660045
Energy: 0.4318275900431647
Energy: 0.4001236320359402
Energy: 0.8313980361115262
Energy: 0.38730482640344555
Energy: 0.14395391938349902
Energy: 0.3873048263994839
Energy: 1.0386611719295673
Energy: 0.3837096083785824
Energy: 0.4320922745723059
Energy: 0.3837096083673578
Energy: 0.47260467410644913
Energy: 0.7333785886970104
Energy: -0.31980749825502996
Energy: 0.7333785892150855
Energy: 0.6476273230029505
Energy: 0.4150943089267549
Energy: 0.4316324798468619
Energy: 0.4150943089227933
Energy: 0.43352289284558615
Energy: 0.6914816754545443
Energy: 0.380254521892571
Energy: 0.6914816754552044
Energy: 0.49787424184061213
Energy: 0.3811824114966097
Energy: 0.43241507503495313
Energy: 0.38118241183647084
Energy: 0.4322953926810594
Energy: 0.7343625943537131
Energy: 0.36101890322918573
Energy: 0.7343625943444693
Energy: 0.25695915289651855
Energy: 0.44252529274492386
Energy: 0.43215820312525594
Energy: 0.4425252927667129
Energy: 0.3896539756898444
Energy: 0.4385395070575869
Energy: 0.4641042441687132
Energy: 0.43853950773274725
Energy: 0.15370843229529527
Energy: 0.3792418309064163
Energy: 0.43193700027777604
Energy: 0.3792418309064163
Energy: 0.4324896895193713
Energy: 0.7340107676394412
Energy: 0.7774346730269669
Energy: 0.7340107676401014

minimum gb energy = -1.0053043419619483 eV
minimum distance =  2.27371945524469 Angstroms
sigma value = 85


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

Energy: 0.7822695824016032
Energy: 0.4297475992324534
Energy: -0.3578741398346677
Energy: 0.4297475992719407
Energy: 0.9776406044764548
Energy: 0.43386431801085223
Energy: 0.338999343992895
Energy: 0.4338643180114249
Energy: 0.6253710603496023
Energy: 0.4362801300116654
Energy: -0.2382350887219543
Energy: 0.4362801300110927
Energy: 0.5678765829567525
Energy: 0.4336906533908916
Energy: 0.30501076667717975
Energy: 0.4336906533908916
Energy: 0.436315993585999
Energy: 0.36037077393785766
Energy: -0.22065769402977972
Energy: 0.36037077393785766
Energy: 0.3769639650933446
Energy: 0.4343533356308266
Energy: 0.3414463540252022
Energy: 0.4343533356308266
Energy: 0.35060708446129024
Energy: 0.46344299895087204
Energy: -0.010909602363957684
Energy: 0.4634429989485815
Energy: 0.2544953344358105
Energy: 0.4343155233858721
Energy: 0.30001097361499
Energy: 0.4343155233870174
Energy: 0.3051617193051521
Energy: 0.4032995024030171
Energy: 0.28168959510545977
Energy: 0.4032995024030171
Energy: 0.04734215657361418
Energy: 0.4634178341955559
Energy: 0.3503162515915535
Energy: 0.4634178341955559
Energy: 0.30606670804133707
Energy: 0.43409467969396137
Energy: 0.37853663922340636
Energy: 0.43409467969396137
Energy: -0.18236932762373168
Energy: 0.43364881508229336
Energy: 0.4380464997567752
Energy: 0.43364881552188567
Energy: 0.3015738893367436
Energy: 0.40346035580616224
Energy: 0.519208931656011
Energy: 0.4034603558055896
Energy: -0.28005411407071834
Energy: 0.43642017453759385
Energy: 0.6045045288373495
Energy: 0.43642017453759385
Energy: 0.3057138994238984
Energy: 0.43377608899991627
Energy: 0.6918110034269092
Energy: 0.43377608899879705
Energy: -0.17990565317824203
Energy: 0.4341369636300898
Energy: 0.7822092970163081
Energy: 0.43413696363066245
Energy: 0.3113761285441844
Energy: 0.4034833271572421
Energy: 0.7555796101250587
Energy: 0.40348332715666946
Energy: -0.12820364217193847
Energy: 0.436506626212365
Energy: 0.5965975884334441
Energy: 0.43650662621064706
Energy: 0.30806954002712084
Energy: 0.43418781079883945
Energy: 0.5424000026608796
Energy: 0.4341878107976941
Energy: -0.016544593720452597
Energy: 0.6681460037551313
Energy: 0.43804262963449075
Energy: 0.6681460039051154
Energy: 0.3007927394219333
Energy: 0.405151425032193
Energy: 0.3997617725647927
Energy: 0.405151425032193
Energy: -0.021385480421637924
Energy: 0.4351550358233134
Energy: 0.3506146411214378
Energy: 0.43515503582274073
Energy: 0.3073600135072777
Energy: 0.43463828678400823
Energy: 0.2213339676955468
Energy: 0.4346382867817176
Energy: 0.3769263309360596
Energy: 0.46162307309369793
Energy: 0.30214576928301135
Energy: 0.4616230731011165
Energy: 0.35411119898349785
Energy: 0.43656645174593006
Energy: 0.024905515565010878
Energy: 0.4365664517453574
Energy: 0.37921404759673727
Energy: 0.4346471087145889
Energy: 0.30060918356247524
Energy: 0.43464710867163964
Energy: 0.43703910792318035
Energy: 0.43416420226567287
Energy: -0.16542490500689905
Energy: 0.43416420226853614
Energy: 0.6792630067653208
Energy: 0.46142731828453476
Energy: 0.30320969599060393
Energy: 0.4614273182839621
Energy: 0.6076739526569019
Energy: 0.437733872901936
Energy: -0.36795142530586356
Energy: 0.437733872901936
Energy: 0.7208505560745464
Energy: 0.4343782577039929
Energy: 0.30595957556446646
Energy: 0.43437825772515515
Energy: 0.7805780422873374
Energy: 0.43423642601146223
Energy: -0.1873206081600605
Energy: 0.4342364260103169
Energy: 0.9392676126778312
Energy: 0.4614441988547097
Energy: 0.30144229318167565
Energy: 0.46144419885413707
Energy: 0.6081166402830211
Energy: 0.4377538033985661
Energy: -0.3138419239471838
Energy: 0.4377538033985661
Energy: 0.5678189426718256
Energy: 0.4347137810139055
Energy: 0.30474513783187657
Energy: 0.43471378101276026
Energy: 0.43786312578459147
Energy: 0.6678060873689375
Energy: -0.01931783772980177
Energy: 0.6678060873689375
Energy: 0.487986767635754
Energy: 0.46105927426240423
Energy: 0.2995555173038596
Energy: 0.4610592742629768
Energy: 0.35510507305160344
Energy: 0.434931519290074
Energy: -0.03267671031485788
Energy: 0.434931519290074
Energy: 0.2415614470388673
Energy: 0.4345449683471638
Energy: 0.30296959600941514
Energy: 0.4345449683471638
Energy: 0.30233447499006344
Energy: 0.4243132029538742
Energy: 0.3786836108718454
Energy: 0.4243132651173739
Energy: 0.19481366447495027
Energy: 0.4847153918737367
Energy: 0.34834226400780366
Energy: 0.4847153919641644
Energy: 0.30000446609514586
Energy: 0.4347942171758491
Energy: 0.3760042182823827
Energy: 0.43479421717184047
Energy: -0.07595781823743131
Energy: 0.4346848896679799
Energy: 0.43692682058159005
Energy: 0.4346848896668346
Energy: 0.29929170795505333
Energy: 0.6666261747620043
Energy: 0.6640281933132407
Energy: 0.6666261747534404

minimum gb energy = -0.36795142530586356 eV
minimum distance =  2.27582435809841 Angstroms
sigma value = 113


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

Energy: 0.018205234812146597
Energy: 0.018931122984285533
Energy: 0.6306665538190592
Energy: 0.018931122985117076
Energy: 0.6393995350173967
Energy: -3.6539004922240546
Energy: -3.6529352181374
Energy: -3.6539004922236145
Energy: 0.018205234812146597
Energy: 0.018931122984285533
Energy: 1.4419704124873387
Energy: 0.01893112298472576
Energy: 0.6393995350178369
Energy: -3.653900492224446
Energy: -3.6529352181374
Energy: -3.6539004922240546
Energy: 0.018205234812146597
Energy: 0.018931122984285533
Energy: 1.7799375893007048
Energy: 0.018931122985117076
Energy: 0.6393995350178369
Energy: -3.653900492224446
Energy: -3.65293521813696
Energy: -3.6539004922236145

minimum gb energy = -3.653900492224446 eV
minimum distance =  2.46605659652154 Angstroms
sigma value = 1