Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5226424932479863
cohesive_energy=4.240930290808195
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.02511922184332e-19, 2.80106938745586e-19, 3.3932979584476197e-19, 3.8767227142244395e-19, 4.2848451682032596e-19, 4.63586604694632e-19, 4.941481239881819e-19, 5.20942926015198e-19, 5.445590096003579e-19, 5.65409736315234e-19, 5.8382675672306395e-19, 6.00084043028262e-19, 6.1438667383998e-19, 6.26912490764592e-19, 6.378361310552039e-19, 6.472697470761959e-19, 6.55312673778876e-19, 6.620610417612839e-19, 6.675965620317539e-19, 6.7199293471545e-19, 6.75315849054366e-19, 6.77622983407326e-19, 6.789752204864219e-19, 6.794190234140399e-19, 6.78939972600474e-19, 6.77393872148664e-19, 6.74582052155994e-19, 6.702770035404359e-19, 6.641983453910399e-19, 6.560080184380319e-19, 6.453134894060819e-19, 6.316212878919179e-19, 6.14319382421352e-19, 5.92675578272646e-19, 5.65763817351348e-19, 5.32436941187514e-19, 4.91273819106786e-19, 4.40401506624018e-19, 3.77458395380694e-19, 2.993667040629e-19, 2.0207773231651798e-19, 8.016618962349719e-20, -7.37084564824968e-20, -2.69723231980632e-19, -5.22184612906548e-19, -8.518180357623419e-19, -1.2893228070320878e-18, -1.88206087019346e-18, -2.7055956818357997e-18, -3.88643190462648e-18, -5.650027834501979e-18, -8.43002859922074e-18]
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: 0.019487074614979515
Energy: 0.026440916678462566
Energy: 0.19838219490615838
Energy: 0.19710699200439538
Energy: 0.025770911677838217
Energy: 0.02182652214659017
Energy: 0.1977251410760703
Energy: 0.19978874091939852
Energy: 0.1962710227621191
Energy: 0.02696333057676109
Energy: 0.0208427468099608
Energy: 0.20497460933485515
Energy: 0.19815825094412828
Energy: 0.19934018615339696
Energy: 0.19828934559843583
Energy: 0.19485625504149995
Energy: 0.20420040029424108
Energy: 0.197799958023224
Energy: 0.20026723330707796
Energy: 0.19728179155977982
Energy: 0.19804996891452428
Energy: 0.02604123407586678
Energy: 0.020206752645755836
Energy: 0.19529329650504199
Energy: 0.19716574288480235
Energy: 0.20374984625776096
Energy: 0.024346866799800963
Energy: 0.020120247430482442
Energy: 0.1945012376837963
Energy: 0.19870415596623656
Energy: 0.19739243019091907
Energy: 0.022049632571062006
Energy: 0.021895879980546526
Energy: 0.2020853626297801
Energy: 0.1946350557123579
Energy: 0.1983120893178065
Energy: 0.022906326643911203
Energy: 0.020447684740344557
Energy: 0.19704434953203692
Energy: 0.19406518576098886
Energy: 0.1962620300392262
Energy: 0.19588506727713956
Energy: 0.19991250921996223
Energy: 0.022811996619085773
Energy: 0.020593636782128905
Energy: 0.1954297663883865
Energy: 0.19704134406352009
Energy: 0.19895683450070048
Energy: 0.024399598926638576
Energy: 0.20057028465683552
Energy: 0.19903661974086723
Energy: 0.19517434252260932
Energy: 0.19599972229791382
Energy: 0.021201375509587242
Energy: 0.020444063669148377
Energy: 0.20045538106932057
Energy: 0.1944131177783389
Energy: 0.19680139030600863
Energy: 0.022070268095865667
Energy: 0.02073655635723459
Energy: 0.020710982866923043
Energy: 0.20044921344898767
Energy: 0.19703984334925245
Energy: 0.19998780519326653
Energy: 0.2020121240013517
Energy: 0.020741835932261324
Energy: 0.2017311717371587
Energy: 0.19594594914758054
Energy: 0.20111930307181203
Energy: 0.20020207492806605

minimum gb energy = 0.019487074614979515 eV
minimum distance =  2.45312531037349 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.7773018896220716
Energy: 1.5944238484272268
Energy: 1.5627902267591696
Energy: 1.4887416712413604
Energy: 1.4838576863282773
Energy: 1.4883463844617353
Energy: 1.485991857842494
Energy: 1.5689726126456824
Energy: 1.5654367040038382
Energy: 1.593527130541183
Energy: 1.4257534445147075
Energy: 1.7083067012228215
Energy: 1.4920773428813907
Energy: 1.4898577264303148
Energy: 1.3107571786778516
Energy: 1.6251039670411658
Energy: 1.7633735241498654
Energy: 1.5639858690309065
Energy: 1.3192485858454563
Energy: 1.3089526274231609
Energy: 1.529587096386118
Energy: 1.7032093988833823
Energy: 1.3996606998592414
Energy: 1.3772580874282032
Energy: 1.3098379918818346
Energy: 1.3054644330947294
Energy: 1.7032193913247864
Energy: 1.402052877631592
Energy: 1.4527233935813282
Energy: 1.3107047869056738
Energy: 1.3121736229590892
Energy: 1.6416424213633645
Energy: 1.6079252371034272
Energy: 1.304688057841762
Energy: 1.3300164141044006
Energy: 1.3061849699151036
Energy: 1.5598254246945287
Energy: 1.3013211438007515
Energy: 1.450561132223003
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Energy: 1.6449258139047043
Energy: 1.6026248819594429
Energy: 1.780122342512245
Energy: 1.6729676870080674
Energy: 1.463540657348136
Energy: 1.6288832766633874
Energy: 1.602718244871134
Energy: 1.5637700552136289
Energy: 1.4777027738877693
Energy: 1.5111636266437491
Energy: 1.552791396696213
Energy: 1.4264842231489983
Energy: 1.7170090571846999
Energy: 1.4670594131324908
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Energy: 1.7088130425563668
Energy: 1.5978738689374123
Energy: 1.7101317412153783
Energy: 1.6796084896561407
Energy: 1.729984641459029
Energy: 1.7318342443586936
Energy: 1.654841807769579
Energy: 1.7046236257663985
Energy: 1.4575899506360712
Energy: 1.6448863586278464
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Energy: 1.3709391487473652
Energy: 1.4593401208483907
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Energy: 1.7347221987745465
Energy: 1.6443604392653388
Energy: 1.7052635440962727
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Energy: 1.6443517459308474
Energy: 1.7123621289823436
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Energy: 1.739984164668627
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Energy: 1.732492377856149
Energy: 1.469710915636516
Energy: 1.4576519059523978
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Energy: 1.6460150777340141
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Energy: 1.7631687872049855
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Energy: 1.760864562981255
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Energy: 1.7667555198699048
Energy: 1.7765161374965044
Energy: 1.527265126816805
Energy: 1.760514139812732
Energy: 1.4811838854862256
Energy: 1.7732000443543918
Energy: 1.7633656527913097
Energy: 1.7562192684101592
Energy: 1.7625108825234321
Energy: 1.760076949713898
Energy: 1.7741175525951651
Energy: 1.7615888446870658
Energy: 1.4727822344677153
Energy: 1.6246018711861747
Energy: 1.4807142681761942
Energy: 1.7709449516960711
Energy: 1.7625008650400027
Energy: 1.6208689326962444
Energy: 1.6244898861294619
Energy: 1.833415154864993
Energy: 1.761763657901255
Energy: 1.7629860682189054
Energy: 1.6185128371638167
Energy: 1.4900226110091626
Energy: 1.53297052251582
Energy: 1.4006281604858204
Energy: 1.4970765473738183
Energy: 1.6287654131709703
Energy: 1.5310914563587978
Energy: 1.4571446582776673
Energy: 1.4020498291599586
Energy: 1.5386378008772672
Energy: 1.6198517145682632
Energy: 1.7153932530066507
Energy: 1.4077026049698182
Energy: 1.3018823735246532
Energy: 1.533161196677156
Energy: 1.5295110718270433
Energy: 1.5114920668432905
Energy: 1.4069381369961433
Energy: 1.301527130761455
Energy: 1.5337487858668652
Energy: 1.5389513625903601
Energy: 1.6265052016071082
Energy: 1.7849854699510688
Energy: 1.5254068065234838
Energy: 1.4759410137007527
Energy: 1.3710501670484678
Energy: 1.6432670288285431
Energy: 1.7641013621331998
Energy: 1.7588454420585244
Energy: 1.475287849297438
Energy: 1.4752019278631698
Energy: 1.5529039974316299
Energy: 1.7048095647905128
Energy: 1.8483042451007548
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Energy: 1.6879111795462094
Energy: 1.7141763777700703
Energy: 1.704599884200913
Energy: 1.6689968268343645
Energy: 1.6999004266975124
Energy: 1.6780075699275339
Energy: 1.7210881857819156
Energy: 1.7118967828244254
Energy: 1.708275609500915
Energy: 1.4598611964068864
Energy: 1.7116650187181437
Energy: 1.7064436908913827
Energy: 1.6204445022393448
Energy: 1.2646480725929146
Energy: 1.4591261757447993
Energy: 1.6446712184884114
Energy: 1.7317939139597067
Energy: 1.6457225223479253
Energy: 1.7829479913247064
Energy: 1.5493003473348372
Energy: 1.720099447483191
Energy: 1.721067393880454
Energy: 1.6437728395350835
Energy: 1.5790427420026225
Energy: 1.6390843814402103
Energy: 1.6413894642484959
Energy: 1.731866698654452
Energy: 1.6431863541988612
Energy: 1.5569529981220354
Energy: 1.4359214816767605
Energy: 1.6448770605092355
Energy: 1.7097575780038305
Energy: 1.4696821166763345
Energy: 1.4574474805983433
Energy: 1.5299842623144144
Energy: 1.6434816004309811
Energy: 1.337864116464823
Energy: 1.4780331989444961
Energy: 1.4633539265452982
Energy: 1.4339253385323483
Energy: 1.3998057654607254
Energy: 1.44455592340141
Energy: 1.4761872779105891
Energy: 1.4645992869813758
Energy: 1.523034853133103
Energy: 1.4081048293408922
Energy: 1.5291634615686711
Energy: 1.4707185594933594
Energy: 1.526379348738773
Energy: 1.4453128885068853
Energy: 1.3993621762900261
Energy: 1.3664528736366737
Energy: 1.4691275323281598
Energy: 1.52992848913414
Energy: 1.3743765481361567
Energy: 1.4080094000394139
Energy: 1.6983773234896025
Energy: 1.4666316044467231
Energy: 1.3913913716155535
Energy: 1.465611632024416
Energy: 1.6533220358880196
Energy: 1.3139647536884091
Energy: 1.3102561430865518
Energy: 1.4424600559266838
Energy: 1.7240089717650833
Energy: 1.6621064804329575
Energy: 1.5698438207388308
Energy: 1.7294770475490835
Energy: 1.809297900390515
Energy: 1.70412751056141
Energy: 1.7133974320746952
Energy: 1.5147336297575127
Energy: 1.3108832113625184
Energy: 1.5145311045150505
Energy: 1.704810521363344
Energy: 1.552906120493623
Energy: 1.5198091276108008
Energy: 1.3107176011933466
Energy: 1.6608057416321227
Energy: 1.5687555264381843
Energy: 1.4908507199660272
Energy: 1.309075081891913
Energy: 1.3098327760801658
Energy: 1.6679088788247982
Energy: 1.4900538777048364
Energy: 1.7836179638490277
Energy: 1.5985851684809276
Energy: 1.485743890951265
Energy: 1.661810047167337
Energy: 1.4891073250150815
Energy: 1.484585251908694
Energy: 1.4816986557121272
Energy: 1.4853156770844878
Energy: 1.5668720025121443
Energy: 1.4896572512375599
Energy: 1.6964175980889318

minimum gb energy = 1.2646480725929146 eV
minimum distance =  2.17064710041871 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.9796245148287006
Energy: 1.9183319093532893
Energy: 1.8594943002224031
Energy: 1.8599882179182408
Energy: 1.8248250754483535
Energy: 1.8321259689371137
Energy: 1.875041509497193
Energy: 1.613840059871959
Energy: 1.8602605514719863
Energy: 1.8697927917941284
Energy: 1.6725975861381588
Energy: 2.1197256558113167
Energy: 1.6608139421654824
Energy: 1.6152342914470843
Energy: 1.695061902808372
Energy: 1.7159373147372299
Energy: 1.915130986288544
Energy: 1.6305796249803608
Energy: 1.6976673228616197
Energy: 1.696006402698387
Energy: 1.8147035102353613
Energy: 2.043188415350152
Energy: 1.971364026813681
Energy: 1.624163185876825
Energy: 1.6859926081885819
Energy: 1.715286670132799
Energy: 2.043274079322587
Energy: 1.9715536934321154
Energy: 1.8299742563931698
Energy: 1.6045165476059278
Energy: 1.7956776342649297
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Energy: 1.8700775054161
Energy: 1.7154497256147363
Energy: 1.606962486481399
Energy: 1.7714028790907412
Energy: 1.7203543855983052
Energy: 1.659711245699127
Energy: 1.7147860294859119
Energy: 1.611564113499423
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Energy: 1.7117647022956728
Energy: 1.965048967111712
Energy: 1.8640674428141335
Energy: 1.863126909299887
Energy: 1.906649002263287
Energy: 1.7498136677676175
Energy: 1.8585360217826825
Energy: 1.9633786958835877
Energy: 1.912035269609468
Energy: 1.9510049675959602
Energy: 2.00709020272891
Energy: 1.9382420725321445
Energy: 1.7154887219108803
Energy: 1.9226773647771942
Energy: 1.9078979658882909
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Energy: 1.6546540134172207
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Energy: 1.7959573391202763
Energy: 2.003822013513922
Energy: 1.6983316328732054
Energy: 1.786805143029506
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Energy: 1.8448070694886292
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Energy: 2.0052841883317343
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Energy: 1.7987170709878773
Energy: 1.8602750000128982
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Energy: 1.719800755587329
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Energy: 1.8192403368448833
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Energy: 1.9109177188686053
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Energy: 1.8713831186608862
Energy: 1.7704744494883495
Energy: 1.6970401621582276
Energy: 2.0062387622909603
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Energy: 1.7724301513564817
Energy: 1.7634701002905906
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Energy: 1.9991924810934818
Energy: 2.0524522420502893
Energy: 1.9972973042989277
Energy: 2.040966021420753
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Energy: 1.9198506834376794
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Energy: 1.9631992846631927
Energy: 1.9720264145007398
Energy: 1.9311030998804208
Energy: 1.9410048922113634
Energy: 2.062359535455649
Energy: 2.0038512192930593
Energy: 1.7469934432390222
Energy: 2.0770433780425117
Energy: 1.7192455797654287
Energy: 2.0453650475909275
Energy: 1.9361785183222322
Energy: 1.7264143150539755
Energy: 1.9458523219618569
Energy: 1.670389450338568
Energy: 1.758771068395311
Energy: 1.8315546388225912
Energy: 1.6842612572834201
Energy: 1.7713545586026767
Energy: 1.594389835040914
Energy: 1.7150392937470722
Energy: 1.7123564632918056
Energy: 1.6908648419214778
Energy: 1.7627187555046608
Energy: 1.593655517919635
Energy: 1.8239329208697643
Energy: 1.8544893171747148
Energy: 1.7908597050460824
Energy: 1.810885933553049
Energy: 1.6229152675561913
Energy: 1.8362180005146012
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Energy: 1.7911548577566319
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Energy: 1.5940086404993856
Energy: 1.9328168126126788
Energy: 1.7875841902283207
Energy: 1.8075558087966084
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Energy: 1.7656555115480395
Energy: 1.9734828808625657
Energy: 1.7235402735133982
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Energy: 2.0099276762406553
Energy: 1.7565750765851769
Energy: 1.9587832171557282
Energy: 1.9591966821797167
Energy: 1.9625883324643216
Energy: 1.9717927244660545
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minimum gb energy = 1.5909522864161854 eV
minimum distance =  2.18832060863374 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.969752668561652
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Energy: 1.9974417317832516
Energy: 1.7716383577592507
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Energy: 1.9701972492192334
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Energy: 1.9138429423316257
Energy: 1.7992254765436013
Energy: 2.0139552668502603
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Energy: 2.020696324905323
Energy: 1.8365952243527137
Energy: 1.7256402731124723
Energy: 1.719450625510931
Energy: 1.7356415020103146
Energy: 1.9486865076940736
Energy: 1.8312343476027257
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Energy: 1.731170010129133
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Energy: 1.7248610192804912
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Energy: 1.8348514612181017
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Energy: 1.7643216454255433
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Energy: 1.7183704981782277
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Energy: 1.7119340263822447
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Energy: 1.961193285926802
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Energy: 1.8578022938303813
Energy: 1.6890411203748021
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Energy: 1.8783878833543484
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Energy: 1.7827015653155676
Energy: 1.8768139728772344
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Energy: 1.8202754034094601
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Energy: 1.8213305213565198
Energy: 1.8700044848321458
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Energy: 1.72856279654086
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Energy: 1.8676809363911877
Energy: 1.905633074770033
Energy: 1.8123060758117162
Energy: 1.727843128919522
Energy: 1.7307875566306836
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Energy: 1.8813815934417137
Energy: 2.007561761497422
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Energy: 1.862762349422883
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Energy: 1.771590793990243
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Energy: 1.9285213957557734
Energy: 2.0045875217698828
Energy: 1.832496312924726
Energy: 2.0029569201935753
Energy: 1.856611366882898
Energy: 2.009173352718536
Energy: 1.9678866997698596
Energy: 1.9710284810195426
Energy: 1.9432413410333798
Energy: 1.9887642395207634
Energy: 1.9716704558903744
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Energy: 1.9729360729384295
Energy: 1.9865316173814414
Energy: 1.987646175613801
Energy: 1.8236216437019381
Energy: 1.7670818230551422
Energy: 2.011512319826621
Energy: 1.7637614799435446
Energy: 1.8717964989498117
Energy: 1.8313765796733381
Energy: 1.8186553747955796
Energy: 2.03150723162755
Energy: 1.7268181279994268
Energy: 1.7312568642003097
Energy: 1.817500472778247
Energy: 1.7705901044429389
Energy: 1.7718038132914
Energy: 1.8900169205029027
Energy: 1.7313433296599599
Energy: 1.8268079879000356
Energy: 1.8310993056421276
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Energy: 1.7551643614178858
Energy: 2.032910647275
Energy: 1.7714484704829352
Energy: 1.8191460518624754
Energy: 1.8468206644469671
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Energy: 2.0127325282426614
Energy: 1.8326252191461003
Energy: 1.8282306271954658
Energy: 1.7961459006276224
Energy: 1.817217717700154
Energy: 2.017027875643555
Energy: 1.786711972616122
Energy: 1.9275979696718997
Energy: 1.8179253483519446
Energy: 1.9429551139993573
Energy: 2.0136786695182307
Energy: 1.7116340157451244
Energy: 1.9635894682732744
Energy: 1.8192206232949792
Energy: 1.9814963893237982
Energy: 1.795438248814954
Energy: 2.024284307450666
Energy: 2.0239918683580522
Energy: 1.7816944318970855
Energy: 1.9730120828687978
Energy: 1.7101973563812392
Energy: 2.0095080232707785
Energy: 2.009739910237468
Energy: 1.785251533565752
Energy: 1.9715865057032793
Energy: 1.7865978164387988
Energy: 1.7839200303900948
Energy: 1.8316308817782243
Energy: 1.7545785856672274
Energy: 1.870458583173859
Energy: 1.7875931690791131
Energy: 1.8696940285552162
Energy: 1.8372057701713032
Energy: 1.7284860413886607
Energy: 1.8951049527249717
Energy: 2.148775442727395
Energy: 1.7997895374459614
Energy: 1.831116548301347
Energy: 1.7224599274421815
Energy: 1.87353292603104
Energy: 1.8910951101656381
Energy: 1.804343358797523
Energy: 1.8359286740707583
Energy: 1.7841648608461858
Energy: 1.8738071954238003
Energy: 1.8846156359710584
Energy: 1.8569526051987346
Energy: 1.724312005908534
Energy: 1.8292447662208615
Energy: 1.789103565470099
Energy: 1.7993312439750893
Energy: 1.8396443303102958
Energy: 1.6574432761730031
Energy: 1.834268222169664
Energy: 1.9385079430624244
Energy: 1.8400175966751349
Energy: 1.8604248879924172
Energy: 1.8592473244902674
Energy: 1.7651531449271587
Energy: 1.863647303916945
Energy: 1.7671668697657543
Energy: 1.7467501957660754
Energy: 1.7463266721600281
Energy: 1.7468815404878553
Energy: 1.6880984685994198
Energy: 1.8185203202672584
Energy: 1.8385081482318015
Energy: 1.8554534923531394
Energy: 1.8554925583450126
Energy: 1.6893528164318583
Energy: 1.7652200933781594
Energy: 1.705453716186105
Energy: 1.8388168212173437
Energy: 1.8390742139540646
Energy: 1.7614028672957291
Energy: 1.80635649521599
Energy: 1.7434725769246824
Energy: 1.8140106595536525
Energy: 1.825681239693271
Energy: 1.7267236536071957
Energy: 1.8726206490632933
Energy: 1.7370897801529275
Energy: 1.7512828758742185
Energy: 1.8846388495496165
Energy: 1.7281943127877604
Energy: 1.890289060434977
Energy: 1.8985542989957613
Energy: 1.8260794066245511
Energy: 1.8343550423143251
Energy: 1.8841833515423276
Energy: 1.970008683690244
Energy: 2.0017413085124516
Energy: 1.825439310364375
Energy: 1.820103721232399
Energy: 1.8885046830380525
Energy: 1.854937260097513
Energy: 1.8390787510049478
Energy: 1.6443539216507297
Energy: 1.6432206631394954
Energy: 1.8236173220202123
Energy: 1.7039090737791653
Energy: 1.7750077196857603
Energy: 1.645008441630326
Energy: 1.6419490535254122
Energy: 1.8495074903819426
Energy: 1.6856973930336443
Energy: 1.641842399015443
Energy: 1.6424547859727234
Energy: 1.642117546071118
Energy: 1.6215087508367805
Energy: 1.6112312995439493
Energy: 1.6411775146211027
Energy: 1.642548785895445
Energy: 1.6412044457386157
Energy: 1.8267163041901562

minimum gb energy = 1.6112312995439493 eV
minimum distance =  2.23346919175313 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 2.6604287112509715
Energy: 1.7082602686115143
Energy: 1.7181160397981554
Energy: 1.7168208566208463
Energy: 1.7085452613230108
Energy: 1.8389276712578675
Energy: 1.7164350042769052
Energy: 1.7160765982417427
Energy: 1.7163889657820346
Energy: 1.851039817350791
Energy: 1.703255376480905
Energy: 1.7166940857564708
Energy: 1.708600737703
Energy: 1.8423009406735846
Energy: 1.7193707274143593
Energy: 1.7186227902226006
Energy: 1.7194976155433126
Energy: 1.7220840768515897
Energy: 1.8437668313769235
Energy: 1.7208586871724867
Energy: 1.7139177412029198
Energy: 1.872098523087609
Energy: 1.7909725740512787
Energy: 1.7268493518588979
Energy: 1.852681805849561
Energy: 1.7260211283506717
Energy: 1.8715421368019074
Energy: 1.7236409393251249
Energy: 1.727286093734286
Energy: 1.8531475231762624
Energy: 1.851966786282308
Energy: 1.8357983661799453
Energy: 1.711848489186402
Energy: 1.7255809891446232
Energy: 1.7013849653842572
Energy: 1.8739791153795726
Energy: 1.8116688545423267
Energy: 1.7172124741412014
Energy: 1.7262793275958268
Energy: 1.8516201550860611
Energy: 1.7978277863519792
Energy: 1.7930523578520825
Energy: 1.807033477081369
Energy: 1.835463362282555
Energy: 1.7969636640120805
Energy: 1.799506778493311
Energy: 1.7155809976827459
Energy: 1.80834953612659
Energy: 1.8371650976862524
Energy: 1.7156898363547133
Energy: 1.7942288891650933
Energy: 1.789372016428326
Energy: 1.7989918873901898
Energy: 1.693376870576186
Energy: 1.7171507808722122
Energy: 1.7947483585141077
Energy: 1.788933908970794
Energy: 1.7984730272157756
Energy: 1.6998629654010573
Energy: 1.7171142816354077
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Energy: 1.7173988563625195
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Energy: 1.7166594065017589
Energy: 1.7175460010707058
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Energy: 1.7987467952723015
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Energy: 1.7173987170306113
Energy: 1.7175994944602386
Energy: 1.8297505065710251
Energy: 1.7081901608871781
Energy: 1.7977313779297635
Energy: 1.8013113155968352
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Energy: 1.6945555849637461
Energy: 1.7101863795781638
Energy: 1.7976403882986522
Energy: 1.8013981968966875
Energy: 1.7072031931438882
Energy: 1.6937432296105053
Energy: 1.797159721218377
Energy: 1.7138719139482632
Energy: 1.8005911789071807
Energy: 1.8006141268626243
Energy: 1.6930975642502941
Energy: 1.7988498464303722
Energy: 1.7145625888481077
Energy: 1.7987984273061155
Energy: 1.7098877085818653
Energy: 1.9125391953885758
Energy: 1.7185522230596622
Energy: 1.8130326539406612
Energy: 1.7988336428684888
Energy: 1.7176541801963388
Energy: 1.9098750897597414
Energy: 1.717352653630436
Energy: 1.815604808599002
Energy: 1.798842291028184
Energy: 1.7188767457462337
Energy: 1.84846168811916
Energy: 1.7168426911628156
Energy: 1.7132054670677248
Energy: 1.8657461929014665
Energy: 1.852662695729608
Energy: 1.8005003582861399
Energy: 1.7150170972019836
Energy: 1.7117790290242696
Energy: 1.8668780856133054
Energy: 1.7002807591340245
Energy: 1.7309915675516725
Energy: 1.7174620279581634
Energy: 1.7134688003486462
Energy: 1.7987222098280313
Energy: 1.6928992927986921
Energy: 1.7301616828579842
Energy: 1.720887427750309
Energy: 1.7120512231816154
Energy: 1.8009265437381174
Energy: 1.863218720591508
Energy: 1.8574368208924614
Energy: 1.7913080057880635
Energy: 1.7139532529327466
Energy: 1.8104032056147126
Energy: 1.71652555525293
Energy: 1.8558353588423329
Energy: 1.789363820810379
Energy: 1.7112760443191262
Energy: 1.8116751394854973
Energy: 1.7165140160679802
Energy: 1.7998894800396081
Energy: 1.7881380103829094
Energy: 1.7122136957002838
Energy: 1.7030866114582675
Energy: 1.805365326635003
Energy: 1.8014880826234592
Energy: 1.7882807584121871
Energy: 1.7141313341284423
Energy: 1.7012884076019628
Energy: 1.8072277560257137
Energy: 1.7042293811085463
Energy: 1.8019914011817257
Energy: 1.7952227246277415
Energy: 1.7200011242872923
Energy: 1.7182183033046379
Energy: 1.783767422451755
Energy: 1.797635101753489
Energy: 1.7174364407299838
Energy: 1.7164887891161285
Energy: 1.7199003563716362

minimum gb energy = 1.6928992927986921 eV
minimum distance =  2.25135209062634 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.617390332624396
Energy: 1.4695037622244178
Energy: 1.4868919681140789
Energy: 1.47437970836289
Energy: 1.4329139906541892
Energy: 1.618702578999013
Energy: 1.4733640921856186
Energy: 1.4897398040842413
Energy: 1.4889313585382757
Energy: 1.676573591468863
Energy: 1.6917545336146211
Energy: 1.4760371751869794
Energy: 1.4720737946646472
Energy: 1.5566235456196607
Energy: 1.666941800175342
Energy: 1.674541429370274
Energy: 1.4738427192537902
Energy: 1.486090045337149
Energy: 1.5769527544839106
Energy: 1.6217119114465883
Energy: 1.5949165835280041
Energy: 1.6118815476125397
Energy: 1.602900697493539
Energy: 1.5929242935481753
Energy: 1.6822288739255014
Energy: 1.5825537223747512
Energy: 1.6238252812623288
Energy: 1.6088226621408894
Energy: 1.5935486359309343
Energy: 1.661760673639554
Energy: 1.6817981262442387
Energy: 1.5724624875375148
Energy: 1.6020727872509033
Energy: 1.6009035749114253
Energy: 1.6575252482578493
Energy: 1.6828734376414045
Energy: 1.4866015481517858
Energy: 1.6015470337729314
Energy: 1.5928872442733681
Energy: 1.7031950688837811
Energy: 1.7018634890705036
Energy: 1.4792316214009629
Energy: 1.7084030659001732
Energy: 1.6747657050532279
Energy: 1.6792191734156026
Energy: 1.6253993336323274
Energy: 1.6017854099260844
Energy: 1.7073295678917475
Energy: 1.7061675878367555
Energy: 1.7154287429075332
Energy: 1.6216448734692903
Energy: 1.5870601528981672
Energy: 1.6172537483222433
Energy: 1.4717973018768726
Energy: 1.6793854384581834
Energy: 1.7161963498662403
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Energy: 1.6976841942642287
Energy: 1.4699895400157945
Energy: 1.7219471572571288
Energy: 1.6821631440893048
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Energy: 1.7116703976404373
Energy: 1.4682731492321281
Energy: 1.6958383499202092
Energy: 1.6246872701438495
Energy: 1.6242619913654104
Energy: 1.6507561669005857
Energy: 1.533074096130945
Energy: 1.7042697297046951
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Energy: 1.5716396498312672
Energy: 1.5711937162838976
Energy: 1.5718046867084774
Energy: 1.5585304877896813
Energy: 1.6414848005742653
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Energy: 1.5544310997717063
Energy: 1.5720367723908555
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Energy: 1.5902466866090665
Energy: 1.5648030003827065
Energy: 1.6064714806557103
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Energy: 1.593865558041674
Energy: 1.587855249975453
Energy: 1.5465599393726546
Energy: 1.6089456000885811
Energy: 1.5684476868421677
Energy: 1.5690667356363213
Energy: 1.7301966567790055
Energy: 1.5727639729437182
Energy: 1.5366591781565146
Energy: 1.5380766568742066
Energy: 1.702326177505839
Energy: 1.7094854519497045
Energy: 1.5728585115284819
Energy: 1.5245445679731844
Energy: 1.5200258559765174
Energy: 1.708506851954316
Energy: 1.5586510219271252
Energy: 1.5460155105530833
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Energy: 1.520961409725608
Energy: 1.64466464983381
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Energy: 1.5249297217081894
Energy: 1.5263302352560517
Energy: 1.5244685641813702
Energy: 1.6431188969914956
Energy: 1.5203323642973947
Energy: 1.519460540475069
Energy: 1.5388676809071795
Energy: 1.5595188862932787
Energy: 1.6752659131703764
Energy: 1.5345662349080722
Energy: 1.5259880061523299
Energy: 1.5381609823447628
Energy: 1.6637482671368462
Energy: 1.6872369676970898
Energy: 1.551828206021343
Energy: 1.5186031681146706
Energy: 1.5391342176709497
Energy: 1.6623674368145136
Energy: 1.615743187040798
Energy: 1.5656271975723361
Energy: 1.5219999648662421
Energy: 1.5353982283040122
Energy: 1.6600369421265164
Energy: 1.5472611233405296
Energy: 1.5236390243225812
Energy: 1.5199220874977906
Energy: 1.4717694348677968
Energy: 1.6655614684034596
Energy: 1.6557758141998686
Energy: 1.528778168701115
Energy: 1.5223144819874275
Energy: 1.5482464109984888
Energy: 1.4358277463833478
Energy: 1.6541535112466235
Energy: 1.5599931163621754
Energy: 1.6072097450986491
Energy: 1.6265046692653968
Energy: 1.7186275830735733
Energy: 1.644981706630816
Energy: 1.5310309906325201
Energy: 1.6110464010570928
Energy: 1.6981584764717845
Energy: 1.7078969284652652
Energy: 1.6437331556362758
Energy: 1.5454312814457936
Energy: 1.6341543526045927
Energy: 1.6832278583328493
Energy: 1.662285284988817
Energy: 1.6570040636727683
Energy: 1.5627094174449396
Energy: 1.6390606526501112
Energy: 1.6837259389746333
Energy: 1.6615938413862825
Energy: 1.6488654018462752
Energy: 1.6627005680744849
Energy: 1.6502929789938443
Energy: 1.677232970666325
Energy: 1.6822382386918506
Energy: 1.69424358590367
Energy: 1.6606458560126618
Energy: 1.6350470074146173
Energy: 1.6753971067337492
Energy: 1.6867272992859033
Energy: 1.639676468524427
Energy: 1.69591688132504
Energy: 1.702578483469167
Energy: 1.7029805718664257
Energy: 1.6947407466360904
Energy: 1.5505321388016533
Energy: 1.6959180036263495
Energy: 1.7026286378297133
Energy: 1.5679319714047395
Energy: 1.7016437642120346
Energy: 1.4892732034345082
Energy: 1.7083822668357846
Energy: 1.6884283731134286
Energy: 1.6901906631816395
Energy: 1.7027973074804115
Energy: 1.5887857549563875
Energy: 1.6922549005126741
Energy: 1.6783482335690996
Energy: 1.6905030871750542
Energy: 1.7016687193031204
Energy: 1.5985688258309603
Energy: 1.7154334638727062
Energy: 1.5712996512474313
Energy: 1.471067671087703
Energy: 1.684417627415265
Energy: 1.6959796549726818
Energy: 1.7137449332751569
Energy: 1.6295240509056539
Energy: 1.5804782615916182
Energy: 1.6865900724822938
Energy: 1.6947832808641365
Energy: 1.5732381491002976
Energy: 1.6558157004305927
Energy: 1.5431881232978049
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Energy: 1.6664403253634943
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Energy: 1.6619649562033239
Energy: 1.559151944508806
Energy: 1.5329056624472195
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Energy: 1.5692287640257494
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Energy: 1.5180870398148765
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Energy: 1.710022291398576
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Energy: 1.691941609420804
Energy: 1.561311144130052
Energy: 1.6742523192122813
Energy: 1.6984046451707384
Energy: 1.5647412550293618
Energy: 1.6962173551077622
Energy: 1.692062834076929
Energy: 1.7140583017031745
Energy: 1.5020745377061808
Energy: 1.568266722072499
Energy: 1.675591252240183
Energy: 1.625641946086228
Energy: 1.6855957725611426
Energy: 1.6005053730365955
Energy: 1.5876297649282332
Energy: 1.6834868355625887
Energy: 1.679548487494881
Energy: 1.5052068349853998
Energy: 1.4861715910280664
Energy: 1.5831680578176015
Energy: 1.6867613342568766
Energy: 1.6795937105673289
Energy: 1.6006430660721371
Energy: 1.53090662437174
Energy: 1.5027479904900383
Energy: 1.5101415379833176
Energy: 1.6984492180004496
Energy: 1.5837982534447945
Energy: 1.466994477267198
Energy: 1.5641834147745817
Energy: 1.5814385583079689
Energy: 1.6869658715436355
Energy: 1.5802311906586375
Energy: 1.5020382556075897
Energy: 1.610162285695923
Energy: 1.6519187784436908
Energy: 1.510716476585896
Energy: 1.5075249577211112
Energy: 1.4756624573593966
Energy: 1.5018498935243367
Energy: 1.674534895106836
Energy: 1.5548943034254739
Energy: 1.5747371346713663
Energy: 1.5256627987134193
Energy: 1.5588088126393431
Energy: 1.6603771370336622
Energy: 1.4942568425166198
Energy: 1.474169531403769
Energy: 1.493084405245651
Energy: 1.5589451377304493
Energy: 1.660065549054423
Energy: 1.4863135358983677
Energy: 1.47528184211246
Energy: 1.4966713057229322
Energy: 1.709184113555496
Energy: 1.7050055999874412
Energy: 1.4911357083121957
Energy: 1.488915218158501
Energy: 1.476194780071535
Energy: 1.6738340628300303
Energy: 1.66674815775156
Energy: 1.4858005913285415
Energy: 1.4762859655781941
Energy: 1.474174176759972
Energy: 1.663200123620706
Energy: 1.5010813328527155
Energy: 1.4858532484898805
Energy: 1.4696498510730784
Energy: 1.4968964756968535
Energy: 1.5702014315138857
Energy: 1.4696939850655957
Energy: 1.4704478145963114
Energy: 1.4707935614174976
Energy: 1.4694659665997967

minimum gb energy = 1.4329139906541892 eV
minimum distance =  2.26573420076984 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 1.022559985601782
Energy: 0.8766828729127975
Energy: 1.4267200277844778
Energy: 0.9919688620452498
Energy: 0.9916662533178151
Energy: 1.3208307442219456
Energy: 1.2664812253095608
Energy: 0.8767861429071117
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Energy: 0.8960540494660959
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Energy: 0.8843675839697598
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Energy: 0.9229963695173187
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Energy: 1.1924718955092637
Energy: 0.8977039827872227
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Energy: 0.9021554017647896
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Energy: 0.9793386592297262
Energy: 0.8834688582145445
Energy: 0.9361308716460913
Energy: 0.8809829180550255
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Energy: 1.1301380773281713
Energy: 0.9153809482392509
Energy: 0.9079595175288173
Energy: 0.9258561628067671
Energy: 0.9061428306950848
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Energy: 0.8908317043335362
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Energy: 1.2449979482482818
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Energy: 1.1959519248989963
Energy: 0.8790558629418295
Energy: 0.9548261641160484
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Energy: 1.2106330530304823
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Energy: 0.9063251424256658
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Energy: 0.9111142812664811
Energy: 1.1416161236123263
Energy: 0.9181487728191039
Energy: 0.8771064646167299
Energy: 0.8788304656711924
Energy: 0.9107312655447439
Energy: 0.8763948852209505
Energy: 0.8943966236343432
Energy: 0.9427243948396719
Energy: 0.9299957601868469
Energy: 1.2363962624211429
Energy: 0.9138387903992956
Energy: 0.9041315346563442
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Energy: 1.240897320729613
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Energy: 0.9017557590207774
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Energy: 1.0985514708115804
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Energy: 1.3749582714630064
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Energy: 0.8856724426071156
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Energy: 1.2402758012486488
Energy: 0.8963124846449103
Energy: 1.2498730089317989
Energy: 1.207362623900031
Energy: 1.266710499782052
Energy: 0.8854045809210154
Energy: 0.9098760343880897
Energy: 1.203189885602882
Energy: 1.2837616321384822
Energy: 0.897744505644701
Energy: 1.174567932870319
Energy: 1.2274743974990043
Energy: 1.179733584190122
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Energy: 0.8971083581892038
Energy: 1.122993594921725
Energy: 1.1053251186822397
Energy: 1.0993271047582955
Energy: 0.9023665931667798
Energy: 1.3698494605772498
Energy: 1.2481886729402036
Energy: 1.0279095126614748
Energy: 1.3563061558296028
Energy: 1.343473958598791
Energy: 1.2484012597201923
Energy: 0.9008202535979964
Energy: 0.8847645779389199
Energy: 1.26267315333554
Energy: 1.338057634376013
Energy: 0.8980444346184873
Energy: 1.0493626979499742
Energy: 1.1867059682772163
Energy: 1.213534782784883
Energy: 1.2692353260944238
Energy: 1.313363171033106
Energy: 1.0163161938300564
Energy: 1.202896971039573
Energy: 1.1900136967028339
Energy: 1.2915898139906474
Energy: 1.053181994166119
Energy: 1.0506089694343161
Energy: 1.2290060319605516
Energy: 1.3074936482767587
Energy: 0.9078689016178536
Energy: 1.0149973452045586
Energy: 1.0289935540239858
Energy: 1.2638433485239484
Energy: 1.1880081276449088
Energy: 1.3130929886967575
Energy: 0.9461849987260547
Energy: 1.2316922299233561
Energy: 0.887467362444273
Energy: 1.2434060174173
Energy: 0.9018897340783361
Energy: 0.8857812070869595
Energy: 0.8868066944451749
Energy: 1.2520594526213609
Energy: 1.2573540871544846
Energy: 1.264435088730788
Energy: 1.0412522622606342
Energy: 1.2695375507945166
Energy: 0.897102946943102
Energy: 1.2490378143899499
Energy: 1.4893491716039269
Energy: 0.9950197165271173
Energy: 1.3085488543710537
Energy: 1.4656220942790565
Energy: 0.8974652377134655
Energy: 1.028707295886291

minimum gb energy = 0.8763948852209505 eV
minimum distance =  2.2212499403422 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.4820006613402532
Energy: 1.4669772464789612
Energy: 1.468557085438805
Energy: 1.4547147709521278
Energy: 1.437501959170609
Energy: 1.4368985230857614
Energy: 1.45445003924029
Energy: 1.4553546677710951
Energy: 1.4755775916157343
Energy: 1.4640872999245593
Energy: 1.461020193275905
Energy: 1.4526914565175288
Energy: 1.457797918924339
Energy: 1.45438501749375
Energy: 1.42666714046027
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Energy: 1.436407514876046
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Energy: 1.4730632774662697
Energy: 1.4751209269649344
Energy: 1.4490123585774528
Energy: 1.4722372152542476
Energy: 1.4743130646474
Energy: 1.4491925314452199
Energy: 1.4695180351736752
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Energy: 1.4597978868182966
Energy: 1.4646791907155314
Energy: 1.4572145176726585
Energy: 1.449066435761324
Energy: 1.483941646112393
Energy: 1.4822965554588061
Energy: 1.461033103525049
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Energy: 1.4807967598634206
Energy: 1.4847586760604858
Energy: 1.4735692621879886
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Energy: 1.4699554983906635
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Energy: 1.4940032744375222
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Energy: 1.4859914756537027
Energy: 1.4715472115715174
Energy: 1.4767097780440679
Energy: 1.475284981982605
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Energy: 1.484590445883851
Energy: 1.457712192126395
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Energy: 1.4592414289296423
Energy: 1.4603309922442949
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Energy: 1.4665976618409924
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Energy: 1.457229041385548
Energy: 1.45937101802019
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Energy: 1.473937930727879
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Energy: 1.4808116845587431
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Energy: 1.4887931297649997
Energy: 1.4854811210445158
Energy: 1.457039112580658
Energy: 1.453705590136799
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Energy: 1.4858153673563201
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Energy: 1.4567865992049258
Energy: 1.4732352876066876
Energy: 1.4426866275036407
Energy: 1.4380554022538428
Energy: 1.4483297405442
Energy: 1.490700938985225
Energy: 1.487369639638826
Energy: 1.4487414637268143
Energy: 1.4880224439224337
Energy: 1.5006886200309115
Energy: 1.4884116998214978
Energy: 1.4837219978348917
Energy: 1.4740699100546253
Energy: 1.476068039130615
Energy: 1.4783860474599395
Energy: 1.4679224132461541
Energy: 1.4719169630637818
Energy: 1.468307057402311
Energy: 1.4848367832630198
Energy: 1.4806080508339117
Energy: 1.470296561113765
Energy: 1.4736658571364478
Energy: 1.4681159992251616
Energy: 1.4524139282807584
Energy: 1.4483131240433116
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Energy: 1.4540543276422273
Energy: 1.4476029281814928
Energy: 1.4785419123257098
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Energy: 1.489988796296886
Energy: 1.4762033894291369
Energy: 1.510339441291348
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Energy: 1.4577680899614978
Energy: 1.4782128859581223
Energy: 1.466126278153154
Energy: 1.4820729733876457
Energy: 1.469941439257715
Energy: 1.4567676199574713
Energy: 1.4412481859221105
Energy: 1.4498926622390782
Energy: 1.4695920287087927
Energy: 1.4656682326428092
Energy: 1.4549949477998627
Energy: 1.4589441413632425
Energy: 1.4539438167574907
Energy: 1.443998945313568
Energy: 1.465614125019296
Energy: 1.4643775723864112
Energy: 1.4667857847635837
Energy: 1.462276144915507
Energy: 1.4532767488036433
Energy: 1.47337594560825
Energy: 1.4667752676415924
Energy: 1.4549495833996575
Energy: 1.4578196518390658
Energy: 1.4532256232932967
Energy: 1.451595537555141
Energy: 1.451566898115929
Energy: 1.4570823330761073
Energy: 1.4588719906791932
Energy: 1.4540322019371552
Energy: 1.450762608719822
Energy: 1.453420025245665
Energy: 1.4779570529779782
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Energy: 1.4364706631086746
Energy: 1.4536632346803189
Energy: 1.457041930226467
Energy: 1.4741956241122685
Energy: 1.4623392827205086

minimum gb energy = 1.42666714046027 eV
minimum distance =  2.22839735362297 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.9563429700290556
Energy: 2.0075751567788456
Energy: 2.003499872129311
Energy: 1.9857286019978269
Energy: 1.9587116046493724
Energy: 1.9560324758264491
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Energy: 1.9991222300840832
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Energy: 1.9996547745976125
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Energy: 1.9753455099558026
Energy: 1.9920582744075348
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Energy: 1.9902340025015914
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Energy: 1.9743132354754074
Energy: 2.016975262878119
Energy: 2.0229572118102874
Energy: 1.9589937044981554
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Energy: 2.0222767520156335
Energy: 2.055570381128069
Energy: 1.9805004342425054
Energy: 1.9605996824228746
Energy: 1.9713622335741654
Energy: 2.0226323956981447
Energy: 2.0008910218227336
Energy: 1.9839465873655386
Energy: 2.0226735189194933
Energy: 1.9635291311481198
Energy: 1.976623410933424
Energy: 1.988448160832635
Energy: 1.9959800583740208
Energy: 2.014187199076607
Energy: 1.9603961116708246
Energy: 1.9744062052527114
Energy: 1.9927082170825847
Energy: 1.9979221453688047
Energy: 2.0079188240028003
Energy: 2.003372927453876
Energy: 1.9753985527494944
Energy: 1.975105306000622
Energy: 1.9925496338538053
Energy: 2.0021786011596183
Energy: 1.9936486152136212
Energy: 1.976181918654961
Energy: 1.9792113372199653
Energy: 1.9917531182321384

minimum gb energy = 1.9560324758264491 eV
minimum distance =  2.25492006249076 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 2.217629008279884
Energy: 2.224078632392748
Energy: 2.3210823134455842
Energy: 2.2406195674618963
Energy: 2.2685786340534273
Energy: 2.2117248800992493
Energy: 2.250554851661596
Energy: 2.2719238621044764
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Energy: 2.265438991286119
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Energy: 2.238563479130712
Energy: 2.2362600845852048
Energy: 2.2458408198312982
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Energy: 2.240804017456266
Energy: 2.2924107389014763
Energy: 2.260402900608241
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Energy: 2.2415474593295
Energy: 2.292773306084993
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Energy: 2.304248718308207
Energy: 2.2549302456063796
Energy: 2.3483505097234794
Energy: 2.2085498680508606
Energy: 2.237876851178884
Energy: 2.3067537371798283
Energy: 2.2538387596154688
Energy: 2.25954028387428
Energy: 2.2945929887370644
Energy: 2.291340407578958
Energy: 2.2068876594087756
Energy: 2.2030474692191753
Energy: 2.239975938591228
Energy: 2.2341876756783465
Energy: 2.2923145280614565
Energy: 2.206162502828156
Energy: 2.2212918944024147
Energy: 2.237523679322866
Energy: 2.2337785623491193
Energy: 2.2374053948111032
Energy: 2.337915497151665
Energy: 2.2374290113682025
Energy: 2.2502452247287485
Energy: 2.2340760930030834
Energy: 2.237767110657942
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minimum gb energy = 2.1977797435487765 eV
minimum distance =  2.22655222678303 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 2.303059249492791
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Energy: 2.2658789984837884
Energy: 2.201587659354923
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Energy: 2.261561207022352
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Energy: 2.2040830627274692
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Energy: 2.3073627076139687
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Energy: 2.2056879005278676
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Energy: 2.1928986478281325
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Energy: 2.204380695619299
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Energy: 2.202134168544041
Energy: 2.2043750248121374
Energy: 2.2572694470883414
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Energy: 2.306941075607087
Energy: 2.2577823691902914
Energy: 2.1990657236630136
Energy: 2.204005036493069
Energy: 2.2530404769663326
Energy: 2.274888399689897
Energy: 2.2644769729190166
Energy: 2.200176464853565
Energy: 2.20381681177389
Energy: 2.203887102520797
Energy: 2.3097784059465623
Energy: 2.318239565686303
Energy: 2.3093521149528495
Energy: 2.315998724434626
Energy: 2.1994284864368656
Energy: 2.3086909687885435
Energy: 2.317358783361174
Energy: 2.285619917182056
Energy: 2.3153157875285637
Energy: 2.205573691943661
Energy: 2.308819965690153
Energy: 2.2640162491785945
Energy: 2.2023999491408053
Energy: 2.316120295002606
Energy: 2.203757626409908
Energy: 2.2034949579459946
Energy: 2.3410103356562115
Energy: 2.203266719121534
Energy: 2.3167550449848426
Energy: 2.1875094195194658
Energy: 2.255958573422334
Energy: 2.2029356107546145
Energy: 2.264153889607868
Energy: 2.3160629646089226
Energy: 2.186907458035356
Energy: 2.207753152698986
Energy: 2.2038418241266506
Energy: 2.264597080869092
Energy: 2.393462554255851

minimum gb energy = 2.1855836208711925 eV
minimum distance =  2.23711661447231 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

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Energy: 2.1866893911768437
Energy: 2.3439424573960275
Energy: 2.212063246127032
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Energy: 2.2089146194220475
Energy: 2.3568335337685884
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Energy: 2.2125921073704786
Energy: 2.2095213076154354
Energy: 2.2086069017023537
Energy: 2.1895120501314387
Energy: 2.2017028982725866
Energy: 2.2104880135479683
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Energy: 2.208885640545818
Energy: 2.345433509348504
Energy: 2.208727135582809
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Energy: 2.2100173675433568
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Energy: 2.209894956739324
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Energy: 2.2082110257110688
Energy: 2.2109454675789144
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Energy: 2.2084601608208216
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Energy: 2.2111026207695232
Energy: 2.2062539024390215
Energy: 2.1883953894711787
Energy: 2.2090002753419506
Energy: 2.3626210509011005
Energy: 2.212084775516236
Energy: 2.2078750883544096
Energy: 2.188987776931458
Energy: 2.2084824217182306
Energy: 2.189505471483656
Energy: 2.2072681526913174
Energy: 2.191641147606979
Energy: 2.3538653710458424
Energy: 2.2074133795680937
Energy: 2.2072765153355394
Energy: 2.206477284298412
Energy: 2.194324199764382
Energy: 2.209161313714884
Energy: 2.213237644596993
Energy: 2.211780743736976
Energy: 2.3635753856776778
Energy: 2.345110312910297
Energy: 2.212830584766238
Energy: 2.212535522346777
Energy: 2.2120397760435337
Energy: 2.3673119345240794
Energy: 2.209493272863219
Energy: 2.210853523357875
Energy: 2.19904514520289
Energy: 2.207206121013063
Energy: 2.215696226349432
Energy: 2.3461708955829534
Energy: 2.3528780890675587
Energy: 2.1954643881054148
Energy: 2.2072076901851467
Energy: 2.1943142165580722
Energy: 2.3451104367767224
Energy: 2.3562336763460614

minimum gb energy = 2.1866893911768437 eV
minimum distance =  2.24211913119612 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.1258561076432416
Energy: 2.315660152641623
Energy: 2.221841800275666
Energy: 2.3039332271049537
Energy: 2.284377386477801
Energy: 2.1324531174981263
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Energy: 2.3470893908512442
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Energy: 2.133712768593341
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Energy: 2.1453201527085843
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Energy: 2.1056036426432683
Energy: 2.125691626581849
Energy: 2.1500719522337426
Energy: 2.150450029575164
Energy: 2.249333545489509
Energy: 2.106756948310796
Energy: 2.1237625807452476
Energy: 2.1499874955950675
Energy: 2.201810960602721
Energy: 2.246300535024918
Energy: 2.1365174918838745
Energy: 2.2332812426086113
Energy: 2.3042274768827316
Energy: 2.2450294614073076
Energy: 2.0907131810027555
Energy: 2.1363494178865405
Energy: 2.2054649928498224
Energy: 2.2860127945577022
Energy: 2.226053979954011
Energy: 2.1375129644354214
Energy: 2.208955886927916
Energy: 2.2065307529875637
Energy: 2.1746764315322835
Energy: 2.200126635815732
Energy: 2.395945627384488
Energy: 2.2131035404450077
Energy: 2.167572734247621
Energy: 2.1736382672297876
Energy: 2.2280881405994943
Energy: 2.2505939891397513
Energy: 2.104889560137591
Energy: 2.178997995219677
Energy: 2.1286130218931767
Energy: 2.2100459875062066
Energy: 2.2200486313453154
Energy: 2.1075746412023504
Energy: 2.1784684637434237
Energy: 2.128945041012978
Energy: 2.2113510061277295
Energy: 2.2176005309636118
Energy: 2.108037787409997
Energy: 2.353822287887576
Energy: 2.2361031545677057
Energy: 2.357578622342913
Energy: 2.101695220550283
Energy: 2.1084908623341665
Energy: 2.394188851694321
Energy: 2.294538617597001
Energy: 2.315267535582917
Energy: 2.0986118383586048
Energy: 2.120595675989138
Energy: 2.275635821063787
Energy: 2.119941751264038
Energy: 2.129434158443113
Energy: 2.2569004101926917
Energy: 2.1926397103203707
Energy: 2.246713248064889
Energy: 2.1198758179583264
Energy: 2.1289791569780965
Energy: 2.220101386287529
Energy: 2.484523229400187
Energy: 2.1276754381060705
Energy: 2.1295517264484904
Energy: 2.3499265954275943
Energy: 2.114676472934257
Energy: 2.106135050477938
Energy: 2.128635855051944
Energy: 2.129068917289887
Energy: 2.4098324350012
Energy: 2.1009055428667867
Energy: 2.1284171467501785
Energy: 2.1258866939367724
Energy: 2.128880065514951
Energy: 2.1559346315557684
Energy: 2.3442524373225417
Energy: 2.1287750653729915
Energy: 2.126571086813223
Energy: 2.129008972018806
Energy: 2.167823866930673
Energy: 2.388901132792592
Energy: 2.127392635798675
Energy: 2.1283550934223734
Energy: 2.1292843332070612
Energy: 2.122017093377277
Energy: 2.259288049577822
Energy: 2.1271612019710333
Energy: 2.1278217993682236
Energy: 2.129558092798351
Energy: 2.1216605731611105
Energy: 2.264262382078987
Energy: 2.2440236577039805
Energy: 2.1480191195523566
Energy: 2.2590201657468696
Energy: 2.1721156836485136
Energy: 2.147155378266483
Energy: 2.22778659697938
Energy: 2.2410421260881
Energy: 2.2569042438291507
Energy: 2.1216112407612293
Energy: 2.2480770770802834
Energy: 2.253271269271972
Energy: 2.099720243751471
Energy: 2.189762400891486
Energy: 2.1174711168236677
Energy: 2.119812338185762
Energy: 2.2447634091343596
Energy: 2.1002334803091833
Energy: 2.174943593890021
Energy: 2.102225892621697
Energy: 2.106363612793299
Energy: 2.3656946065497166
Energy: 2.1831980537975895
Energy: 2.163551047383494
Energy: 2.12143814066189
Energy: 2.121587473016008
Energy: 2.2509589127824983
Energy: 2.1524299204122053
Energy: 2.1466600519700494
Energy: 2.105234716856786
Energy: 2.1415056938752013
Energy: 2.105520987074801
Energy: 2.3082470476022854
Energy: 2.1189539298325655
Energy: 2.1224352131548243
Energy: 2.168952379181839
Energy: 2.10640112975692
Energy: 2.3053642888037573
Energy: 2.105808253441901
Energy: 2.106516968431206
Energy: 2.1860516768499676
Energy: 2.3559633086919733
Energy: 2.174608388524148
Energy: 2.1320125736428435
Energy: 2.2349670907824577
Energy: 2.2087423904816137
Energy: 2.2888376236051444
Energy: 2.1070579513258307
Energy: 2.132845325088766
Energy: 2.22036474499324
Energy: 2.1806776865740063
Energy: 2.1283630791142216
Energy: 2.2218889388154204
Energy: 2.255119004292319
Energy: 2.1799664331796924
Energy: 2.157491610931242
Energy: 2.1288188327035136
Energy: 2.1826789292321527
Energy: 2.1329113165251785
Energy: 2.1383126544794933
Energy: 2.1269521042018087
Energy: 2.166175262936027
Energy: 2.1229345806861826
Energy: 2.121495488787369
Energy: 2.1890002449909987
Energy: 2.180537178150193
Energy: 2.1665104814500795
Energy: 2.107903142403238
Energy: 2.106562527622143
Energy: 2.1340408519554277
Energy: 2.221699259013229
Energy: 2.4801113977480047
Energy: 2.3290473884885903
Energy: 2.1220020899637055
Energy: 2.370066753007803
Energy: 2.1651073673565073
Energy: 2.531961651049016
Energy: 2.315627885020851
Energy: 2.1517383661599174
Energy: 2.3590962773760755
Energy: 2.1682124659084754
Energy: 2.1088197096187096
Energy: 2.3526121531441153
Energy: 2.439144425311601
Energy: 2.217936205715713
Energy: 2.1652264464979027
Energy: 2.1091981751888764
Energy: 2.341585315244529
Energy: 2.4613559771306375
Energy: 2.231257483807067
Energy: 2.1209387391357803
Energy: 2.3655818877090975
Energy: 2.4446226631788126
Energy: 2.415918190436124
Energy: 2.1854775176089984
Energy: 2.126692437291017
Energy: 2.372412308880163
Energy: 2.411288650041013
Energy: 2.4137365862625244
Energy: 2.140660247252572
Energy: 2.1278619758638992
Energy: 2.126053468147473
Energy: 2.2005740987826834
Energy: 2.188685777696451
Energy: 2.1243125270567775
Energy: 2.1247425252494727
Energy: 2.1247411133849394
Energy: 2.109283356733133
Energy: 2.127633615523875
Energy: 2.125132328980082
Energy: 2.124627035606216
Energy: 2.129036358992676
Energy: 2.1221345439674093
Energy: 2.2528291299087204
Energy: 2.126610868841936
Energy: 2.1286128990707573
Energy: 2.220273548437004
Energy: 2.1716128320480195
Energy: 2.213840991573818
Energy: 2.1260139767984523
Energy: 2.125930256935113
Energy: 2.2327822219290265
Energy: 2.121827823264541
Energy: 2.121550188291394
Energy: 2.223503355859467
Energy: 2.2072999448066204
Energy: 2.2092707301528782
Energy: 2.12207452468222
Energy: 2.1356188956527395
Energy: 2.231944836355925
Energy: 2.315908918543611
Energy: 2.1352386938935726
Energy: 2.136478940207348
Energy: 2.217382823606746
Energy: 2.0978288425477865
Energy: 2.1345794796664115
Energy: 2.117642791720844
Energy: 2.109731350815977
Energy: 2.221714178593326
Energy: 2.099064781792808
Energy: 2.134374453236761
Energy: 2.1342217605574674
Energy: 2.138929809409025
Energy: 2.1353183954418826
Energy: 2.1244286751861488
Energy: 2.1065288149752317
Energy: 2.105271999938954
Energy: 2.184319071961767
Energy: 2.152656489697782
Energy: 2.125635537594433
Energy: 2.1343519353080054
Energy: 2.135506326757577
Energy: 2.1084848545707398
Energy: 2.190123629928265
Energy: 2.320999304242209
Energy: 2.3098306855455975
Energy: 2.1067645168524893
Energy: 2.2272189170725185
Energy: 2.1929613348374857
Energy: 2.285806629463262
Energy: 2.304282124980614
Energy: 2.1398145608049033
Energy: 2.313039967026538
Energy: 2.188750364099815
Energy: 2.1760175682388407
Energy: 2.0913181906091363
Energy: 2.136036775533356
Energy: 2.3332318794328817
Energy: 2.21514652543227
Energy: 2.2519025868624114
Energy: 2.100246047451302

minimum gb energy = 2.0907131810027555 eV
minimum distance =  2.19571885522679 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.136448140578791
Energy: 1.8920019185133505
Energy: 1.9695660491188043
Energy: 2.1330367031874347
Energy: 1.8926873400538513
Energy: 2.1035379951317448
Energy: 2.023048302781174
Energy: 1.9687551836479156
Energy: 2.1327701084985886
Energy: 2.107020345859269
Energy: 1.8835961217547845
Energy: 2.214808637689245
Energy: 1.8873209644751994
Energy: 2.325969764329574
Energy: 1.8952700116931465
Energy: 1.8908824508454436
Energy: 2.216579512693326
Energy: 1.8895609545142815
Energy: 2.2143108949252475
Energy: 1.895254527969925
Energy: 2.1127423277996353
Energy: 1.8947294782160715
Energy: 2.0010038669871832
Energy: 1.9673957425716302
Energy: 1.893640878760578
Energy: 2.1130983391577893
Energy: 1.8946110414650188
Energy: 2.002215727490377
Energy: 1.9665567716676373
Energy: 1.8922310945872325
Energy: 1.9686109737354147
Energy: 1.9792815719226868
Energy: 2.2046848541848227
Energy: 2.110079889691012
Energy: 1.8898100090413652
Energy: 1.9694152206464144
Energy: 1.9650776108003858
Energy: 2.2041646388847767
Energy: 2.109853954756937
Energy: 1.9971073467289218
Energy: 2.091373970992932
Energy: 2.0214871946083703
Energy: 1.9132205697822044
Energy: 1.9644387203907747
Energy: 2.1091738087047305
Energy: 2.0907593826381654
Energy: 2.0218845871723405
Energy: 1.9137436380334993
Energy: 1.9166278915035135
Energy: 2.107395644579447
Energy: 1.88967166705947
Energy: 1.9793871265735425
Energy: 2.000813682086288
Energy: 1.920404375380404
Energy: 2.102687786661137
Energy: 2.0236661445956603
Energy: 1.9006506907828802
Energy: 2.1053743135186633
Energy: 1.9217486447874785
Energy: 2.104188646288982
Energy: 2.116182154807779
Energy: 2.109284256520587
Energy: 2.1140640632392795
Energy: 1.8940294210981112
Energy: 1.9965703759713098
Energy: 2.114762695294866
Energy: 2.1104277975322496
Energy: 2.11271009978204
Energy: 1.9690530461766442
Energy: 1.997796532751192
Energy: 2.132185907941683
Energy: 1.8902173488463303
Energy: 1.8992218920764812
Energy: 1.9685844953923757
Energy: 2.218794126402284
Energy: 2.1395025388755737
Energy: 1.8888641744054901
Energy: 1.9000875305415028
Energy: 1.9688892612247166
Energy: 2.2177436380836095
Energy: 1.9680795954949046
Energy: 2.205394881956127
Energy: 2.02424266908112
Energy: 1.8904947094606006
Energy: 1.967199306696065
Energy: 1.9670513456063456
Energy: 2.206947284906406
Energy: 2.0230586669627764
Energy: 2.252108491122063
Energy: 1.9647281444604894
Energy: 2.028452867104681
Energy: 2.1136323505792762
Energy: 1.8904046468171158
Energy: 2.3433707106702384
Energy: 2.0254786596412924
Energy: 1.915978244540905
Energy: 1.9132667426755847
Energy: 1.8917856234042671
Energy: 2.338475470314747
Energy: 2.0253385960278756
Energy: 1.8903730910564884
Energy: 1.8913338005845721
Energy: 2.024287622233053
Energy: 2.1035585071902108
Energy: 1.8925780751039039
Energy: 1.8901650503157217
Energy: 1.890996333677919
Energy: 2.024815463604414
Energy: 2.105280985079142
Energy: 1.9762888960400775
Energy: 1.892533306522702
Energy: 1.8912324439831507
Energy: 1.8886817287243969
Energy: 2.2477650306770696
Energy: 1.8920942241325656
Energy: 1.8925834626243656
Energy: 1.8911570553913293
Energy: 1.8887673805860596
Energy: 2.215989038420016
Energy: 1.8918875452783528
Energy: 1.8905702514997005
Energy: 1.89566520440003
Energy: 1.9972149009571534
Energy: 2.2193614158585655
Energy: 2.0253611195418277
Energy: 1.8900952238110762
Energy: 1.8999589420512053
Energy: 1.999266867471647
Energy: 2.2156394624205102
Energy: 1.893242278150566
Energy: 1.8921223963212852
Energy: 2.0265411085512124
Energy: 2.3870010707161
Energy: 1.8905418419391313
Energy: 1.8984462999626532
Energy: 2.279765237194719
Energy: 2.026141315771306
Energy: 2.217497048413242
Energy: 1.890316095685195
Energy: 2.0166568908784592

minimum gb energy = 1.8835961217547845 eV
minimum distance =  2.25206047747538 Angstroms
sigma value = 33