Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.56183634698391
cohesive_energy=3.9401847031687383
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7667682396108198e-19, 2.49494149799748e-19, 3.0509288335281598e-19, 3.5019255342328197e-19, 3.89101412979972e-19, 4.22463537029754e-19, 4.5138122309682e-19, 4.76609096375784e-19, 4.986918969222059e-19, 5.1883766591812195e-19, 5.369454662355899e-19, 5.52925575983106e-19, 5.66984675946456e-19, 5.79292596848844e-19, 5.89990330234062e-19, 5.99201243702928e-19, 6.07029478736652e-19, 6.1375381406955e-19, 6.1931336698953e-19, 6.23736976676004e-19, 6.27088730194332e-19, 6.2942310155006995e-19, 6.30791360395506e-19, 6.31236765499758e-19, 6.307561125095579e-19, 6.29193990291408e-19, 6.26353331119326e-19, 6.2305444942992e-19, 6.1825593041109e-19, 6.114707123661e-19, 6.02303057666352e-19, 5.90277119851548e-19, 5.7480490009701e-19, 5.55159010210902e-19, 5.30583222821976e-19, 4.99898335927608e-19, 4.6161112090491e-19, 4.1390631162756e-19, 3.5443671932674794e-19, 2.819029787523e-19, 1.9088813070466199e-19, 7.606317548148659e-20, -6.86944447063938e-20, -2.53850468067594e-19, -4.9312593529569e-19, -8.062921867072319e-19, -1.2232169991132479e-18, -1.78868601596394e-18, -2.5728072824098798e-18, -3.70253407057596e-18, -5.3946889443414e-18, -8.068144962899159e-18, -1.2613423942959118e-17, -2.12539945736538e-17]
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: 0.015652594123743525
Energy: 0.016302040506573797
Energy: 1.4992081910783217
Energy: 0.016302040507219877
Energy: 0.016302040507219877
Energy: 1.7008751263754889
Energy: 0.016302040507830063
Energy: 1.70087512638116
Energy: 1.4992081910631747
Energy: 0.016302040506573797
Energy: 0.015652594123743525
Energy: 0.016302040506573797
Energy: 0.016302040507219877
Energy: 1.7008751263691717
Energy: 0.016302040507830063
Energy: 1.7008751263635005

minimum gb energy = 0.015652594123743525 eV
minimum distance =  2.43948684252547 Angstroms
sigma value = 1


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

Energy: 2.6461403080527335
Energy: 1.485594182094
Energy: 1.5686226427100824
Energy: 1.4855941820932164
Energy: 1.6413584722844397
Energy: 1.6354269940338104
Energy: 1.5635226124363424
Energy: 1.6354269940353776
Energy: 1.5610955634064618
Energy: 1.5610385496085561
Energy: 1.572659401208528
Energy: 1.5610385496101231
Energy: 1.5613270901220344
Energy: 1.5822699287281172
Energy: 1.5637094207157871
Energy: 1.5822699287296844
Energy: 1.6455610989952902
Energy: 1.5788593762979914
Energy: 1.5643997915894012
Energy: 1.578859376298775
Energy: 1.559892838127705
Energy: 1.745524496432597
Energy: 1.5713409287600741
Energy: 1.745524496432597
Energy: 1.560893780335621
Energy: 1.7430517600154547
Energy: 1.6488798008371723
Energy: 1.7430517600154547
Energy: 1.6536414017961976
Energy: 1.8169251581255892
Energy: 1.5724570428272793
Energy: 1.816925158124022
Energy: 1.573556044451209
Energy: 1.8139699754701133
Energy: 1.5630336918433447
Energy: 1.8139699754716805
Energy: 1.6543080617214054
Energy: 1.8119390253107261
Energy: 1.6549646129939988
Energy: 1.8119390253107261
Energy: 1.6409851580216246
Energy: 1.813237291068808
Energy: 1.5751893604748783
Energy: 1.8132372910695915
Energy: 1.6558449471338534
Energy: 1.811262094634897
Energy: 1.5729324581959272
Energy: 1.8112620946356803
Energy: 1.560751900874297
Energy: 1.7554867141043533
Energy: 1.650214558304247
Energy: 1.7554867141043533
Energy: 1.560021873354813
Energy: 1.7553287720221484
Energy: 1.646465052748481
Energy: 1.7553287720213648
Energy: 1.6509329300051137
Energy: 1.5673565426268463
Energy: 1.5667045507358242
Energy: 1.5673565426268463
Energy: 1.4793128083114366
Energy: 1.5860197641159735
Energy: 1.5633385105836588
Energy: 1.5860197641144063
Energy: 1.5610416522857085
Energy: 1.5594165116015621
Energy: 1.478848681456005
Energy: 1.5594165116023457
Energy: 1.5633806693785839
Energy: 1.5689257927145306
Energy: 1.6424254276456542
Energy: 1.5689257927129636
Energy: 1.572479549816988
Energy: 1.56585407076924
Energy: 1.5657374719587955
Energy: 1.5658540707700237
Energy: 1.565748672074561
Energy: 1.569205885600615
Energy: 1.5607217365266612
Energy: 1.5692058855998314
Energy: 1.5647574417679624
Energy: 1.5631581977334486
Energy: 1.644846436330286
Energy: 1.563158197732665
Energy: 1.5637695054795853
Energy: 1.5684870935301045
Energy: 1.5650928383047695
Energy: 1.5684870935324553
Energy: 1.6487959953317397
Energy: 1.7416766891431115
Energy: 1.5601277276666514
Energy: 1.7416766891423279
Energy: 1.5719267644128634
Energy: 1.7370640722646242
Energy: 1.5616512381272039
Energy: 1.7370640722638406
Energy: 1.5629397551594757
Energy: 1.8138884924264116
Energy: 1.5736009321611415
Energy: 1.8138884924264116
Energy: 1.5667290228293445
Energy: 1.8108409268982586
Energy: 1.656588934643051
Energy: 1.810840926899042
Energy: 1.5763903740047942
Energy: 1.8129257659023894
Energy: 1.6401561360427725
Energy: 1.8129257659039564
Energy: 1.5731224971568003
Energy: 1.8112935850362535
Energy: 1.6483287295436666
Energy: 1.8112935850354699
Energy: 1.6503865374140254
Energy: 1.7556423306405409
Energy: 1.5601954178476458
Energy: 1.7556423306374065
Energy: 1.6515510450140638
Energy: 1.7412327662113538
Energy: 1.5613916010681217
Energy: 1.7412327662113538
Energy: 1.5782185598990872
Energy: 1.5675895652228495
Energy: 1.6512259947341728
Energy: 1.567589565222066
Energy: 1.5634160283022203
Energy: 1.5666704717726
Energy: 1.4792321942620563
Energy: 1.5666704717498772
Energy: 1.478542410005587
Energy: 1.5592887684064245
Energy: 1.5602414945915093
Energy: 1.5592887684064245

minimum gb energy = 1.478542410005587 eV
minimum distance =  2.25795182049958 Angstroms
sigma value = 1


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

Energy: 1.8793151633850518
Energy: 1.584577910416186
Energy: 1.6799261512743233
Energy: 1.5845779104179727
Energy: 1.7631016294019277
Energy: 1.7470559415940443
Energy: 1.6760467231650742
Energy: 1.7470559415895777
Energy: 1.669636304909589
Energy: 1.669529253281684
Energy: 1.6849425816710741
Energy: 1.6695292532807906
Energy: 1.6691612747458777
Energy: 1.6740711789976934
Energy: 1.6761719345695962
Energy: 1.6740711789959066
Energy: 1.683502643627155
Energy: 1.6783609008019948
Energy: 1.676022248180016
Energy: 1.6783609008011016
Energy: 1.6728008179993172
Energy: 1.9051589904575035
Energy: 1.683205944720685
Energy: 1.9051589904575035
Energy: 1.6719482752179218
Energy: 1.8793850640765764
Energy: 1.6829781135404778
Energy: 1.8793850640783631
Energy: 1.6719354748125355
Energy: 1.877151298384551
Energy: 1.6822291885632699
Energy: 1.8771512983863379
Energy: 1.6827094673991514
Energy: 1.9410910674062773
Energy: 1.5763183989864178
Energy: 1.9410910674053838
Energy: 1.6845459508203855
Energy: 1.9400734821517094
Energy: 1.7746346173895957
Energy: 1.9400734821517094
Energy: 1.7702843607950003
Energy: 1.8959613599457472
Energy: 1.6710336115874471
Energy: 1.8959613599484277
Energy: 1.7672017599402734
Energy: 1.8777389998291565
Energy: 1.6701529304180138
Energy: 1.8777389998246894
Energy: 1.6768952797396788
Energy: 1.696329122821864
Energy: 1.7709211418040693
Energy: 1.696329122820971
Energy: 1.6766295319312186
Energy: 1.6724474381858117
Energy: 1.5766487899189074
Energy: 1.6724474381813448
Energy: 1.5765617231051077
Energy: 1.6682909537095936
Energy: 1.670310531334641
Energy: 1.6682909537140604
Energy: 1.7648961615588503
Energy: 1.6770006311218608
Energy: 1.6759682811079943
Energy: 1.6770006311245407
Energy: 1.6771065500569253
Energy: 1.668256809353231
Energy: 1.6846279856027124
Energy: 1.6682568093541243
Energy: 1.6684578796957774
Energy: 1.67328403531126
Energy: 1.6768216502483124
Energy: 1.6732840353237675
Energy: 1.6833824633347263
Energy: 1.6737024511830163
Energy: 1.677261447084288
Energy: 1.6737024511830163
Energy: 1.674452662234985
Energy: 1.6728662575710338
Energy: 1.6761574231990215
Energy: 1.6728662575656732
Energy: 1.670798799117024
Energy: 1.8787644329122397
Energy: 1.6833505434176104
Energy: 1.878764432913133
Energy: 1.6720731793084769
Energy: 1.8785963193534254
Energy: 1.682680835533852
Energy: 1.8785963193516388
Energy: 1.6854169422564842
Energy: 1.9412293194216763
Energy: 1.5780672511625162
Energy: 1.9412293194225696
Energy: 1.6839602807863927
Energy: 1.9396813134931414
Energy: 1.684171108477059
Energy: 1.9396813134895676
Energy: 1.7704056543487043
Energy: 1.8957311630337306
Energy: 1.6712650242996545
Energy: 1.8957311630337306
Energy: 1.7707043748369906
Energy: 1.8783501358631491
Energy: 1.670288503571097
Energy: 1.878350135867616
Energy: 1.6940671355889283
Energy: 1.6787949013717856
Energy: 1.7712897497441604
Energy: 1.6787949013762526
Energy: 1.6762032529777686
Energy: 1.6790417265771842
Energy: 1.5762643564483754
Energy: 1.6790417265745041
Energy: 1.5761461612768797
Energy: 1.667914868430685
Energy: 1.6679729139102222
Energy: 1.6679148684297915

minimum gb energy = 1.5761461612768797 eV
minimum distance =  2.25888622637138 Angstroms
sigma value = 25


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

Energy: 2.001573660218029
Energy: 1.7022660531603073
Energy: 1.808651753411115
Energy: 1.702266053159269
Energy: 1.799396472489373
Energy: 1.8747089540143702
Energy: 1.8068523046422575
Energy: 1.8747089540143702
Energy: 1.7969868145244638
Energy: 1.7976936731214939
Energy: 1.719843278189287
Energy: 1.7976936731214939
Energy: 1.7958295037775356
Energy: 1.9048578375469214
Energy: 1.7194001941358852
Energy: 1.9048578375448446
Energy: 1.7187045617448784
Energy: 1.8350070158353198
Energy: 1.8082613910709577
Energy: 1.8350070158363583
Energy: 1.6942098897456896
Energy: 2.0652305403140923
Energy: 1.7187911447280553
Energy: 2.0652305403151305
Energy: 1.8006946880794321
Energy: 2.0775291614984313
Energy: 1.7995488595020008
Energy: 2.07752916149947
Energy: 1.8014253861016292
Energy: 2.0322361731064644
Energy: 1.7195411614169172
Energy: 2.0322361731054257
Energy: 1.8011919653811495
Energy: 2.074948938243089
Energy: 1.6918753525926389
Energy: 2.07494893824205
Energy: 1.6936134381420669
Energy: 2.0789697774365035
Energy: 1.7190161270873532
Energy: 2.0789697774365035
Energy: 1.6897090580927492
Energy: 1.8092867257587695
Energy: 1.8100337787404164
Energy: 1.8092867257546152
Energy: 1.689980969729914
Energy: 1.809787708891866
Energy: 1.7194531611100181
Energy: 1.8097877088908272
Energy: 1.7989558213487058
Energy: 1.7955031089084856
Energy: 1.68998657550691
Energy: 1.7955031089105624
Energy: 1.806308158497835
Energy: 1.694927881050033
Energy: 1.7976186024976137
Energy: 1.694927881048994
Energy: 1.720039705461476
Energy: 1.7954138714431196
Energy: 1.8066576597905635
Energy: 1.7954138714451966
Energy: 1.8096799499508258
Energy: 1.6953329308222618
Energy: 1.7956521065441677
Energy: 1.6953329308222618
Energy: 1.8098522068986675
Energy: 1.800976494670593
Energy: 1.719778274487705
Energy: 1.8009764946622844
Energy: 1.8100723910953187
Energy: 1.800967776367251
Energy: 1.6939741358222986
Energy: 1.8009677763662124
Energy: 1.8002314517316793
Energy: 2.063240242538272
Energy: 1.8007318888216663
Energy: 2.063240242536195
Energy: 1.7211878646793497
Energy: 2.074746310695157
Energy: 1.799907040860774
Energy: 2.074746310697234
Energy: 1.6896305045200908
Energy: 2.0751120360968294
Energy: 1.8009432381630182
Energy: 2.0751120360968294
Energy: 1.6895710027974014
Energy: 2.075967323159448
Energy: 1.801490455892354
Energy: 2.0759673231604863
Energy: 1.809173243232703
Energy: 1.8355482456756458
Energy: 1.6898157386954542
Energy: 1.8355482456746073
Energy: 1.8143972925926213
Energy: 1.8087904024365444
Energy: 1.6898384480602358
Energy: 1.8087904024365444
Energy: 1.6897780274260419
Energy: 1.794867083212772
Energy: 1.795550502361513
Energy: 1.7948670832138105

minimum gb energy = 1.6895710027974014 eV
minimum distance =  2.26284894860136 Angstroms
sigma value = 9


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

Energy: 2.6738719569114955
Energy: 1.8349833917265963
Energy: 1.9586977579883504
Energy: 1.8349833917253573
Energy: 2.0682769583647866
Energy: 2.0187011229243774
Energy: 1.9579421747748458
Energy: 2.0187011229231384
Energy: 1.9392307949332097
Energy: 1.9411446543075601
Energy: 1.9586902041487861
Energy: 1.9411446543063209
Energy: 1.9394218051179684
Energy: 2.0206415944470923
Energy: 1.9646694058773788
Energy: 2.020641594445854
Energy: 1.959300123341219
Energy: 2.0037597055825027
Energy: 1.9631361156119098
Energy: 2.0037597055800247
Energy: 1.9460351619558152
Energy: 1.9463349433638493
Energy: 1.9651419137248394
Energy: 1.9463349433626105
Energy: 2.0700160546046256
Energy: 2.2534959883218892
Energy: 1.9643937640721334
Energy: 2.2534959883206502
Energy: 1.9651250696317868
Energy: 2.225399160955209
Energy: 1.9670409286754833
Energy: 2.225399160955209
Energy: 1.9645155324782066
Energy: 2.0028868305443557
Energy: 1.8159671493222596
Energy: 2.002886830541878
Energy: 1.9648058571037224
Energy: 1.9661183140443592
Energy: 1.8158148312368574
Energy: 1.9661183140431202
Energy: 1.8152659369349937
Energy: 1.9399031071575663
Energy: 1.9397154971585508
Energy: 1.9399031071575663
Energy: 2.049522239018147
Energy: 1.9461183798342099
Energy: 1.9576535471686074
Energy: 1.9461183798329706
Energy: 1.9582399512826882
Energy: 1.940013821155017
Energy: 1.9589883103017185
Energy: 1.9400138211562563
Energy: 1.9393708110768377
Energy: 1.946398067385698
Energy: 1.940709780406709
Energy: 1.946398067386937
Energy: 1.9590962987505962
Energy: 1.94504029568742
Energy: 1.9648870726663752
Energy: 1.94504029568742
Energy: 1.9464302462085938
Energy: 2.0710498409267917
Energy: 1.9639308247691578
Energy: 2.0710498409280302
Energy: 2.0704811711304694
Energy: 2.2575494900511113
Energy: 1.9642571929416817
Energy: 2.2575494900523507
Energy: 2.070215199087008
Energy: 2.2581677380502647
Energy: 1.9650678831371802
Energy: 2.2581677380515037
Energy: 1.9646933363175594
Energy: 1.9664437832075765
Energy: 1.8155909343334238
Energy: 1.9664437832137711
Energy: 1.9648463666540428
Energy: 1.9662837521367205
Energy: 1.8157591122588712
Energy: 1.9662837521367205
Energy: 1.8148847785391897
Energy: 1.9397635848766477
Energy: 1.9386704929244025
Energy: 1.9397635848754087

minimum gb energy = 1.8148847785391897 eV
minimum distance =  2.25904672417502 Angstroms
sigma value = 25


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

Energy: 2.4053477614278695
Energy: 1.9815617408422654
Energy: 2.1407305063923396
Energy: 1.9815617408422654
Energy: 2.1155041157105665
Energy: 2.111394166498074
Energy: 2.1320307963718728
Energy: 2.111394166498074
Energy: 2.112253392076073
Energy: 2.112141777731271
Energy: 2.13159511900766
Energy: 2.1121417777328033
Energy: 2.110515725952621
Energy: 2.112342365793639
Energy: 2.0145157918373187
Energy: 2.112342365793639
Energy: 2.007127321553905
Energy: 2.2217588944525324
Energy: 2.018046690787318
Energy: 2.2217588944525324
Energy: 1.968022350560386
Energy: 2.2477222953826677
Energy: 2.011866052362933
Energy: 2.2477222953841998
Energy: 1.9592671187614623
Energy: 2.223324344714423
Energy: 2.0142989055792966
Energy: 2.2233243447128905
Energy: 1.9596265670867195
Energy: 2.1140764226905198
Energy: 2.0140776798737146
Energy: 2.1140764226905198
Energy: 2.111041619533292
Energy: 2.1110032097342697
Energy: 2.2507518110367997
Energy: 2.1110032097342697
Energy: 2.1325733759627616
Energy: 2.1105347144169264
Energy: 2.2460603196394024
Energy: 2.110534714418459
Energy: 2.1312892621133677
Energy: 2.1114680093443026
Energy: 2.132114179051374
Energy: 2.1114680093443026
Energy: 2.1093382665110405
Energy: 2.1119266965421577
Energy: 2.1120304791023585
Energy: 2.1119266965421577
Energy: 2.012832465035884
Energy: 2.2486876461057004
Energy: 2.0071873339197284
Energy: 2.2486876461057004
Energy: 2.0139491180551508
Energy: 2.2238256254296305
Energy: 1.9695749913294684
Energy: 2.223825625428099
Energy: 2.013655369999342
Energy: 2.2260525118473353
Energy: 1.9602081041078896
Energy: 2.226052511848867
Energy: 2.0137467707577414
Energy: 2.226824191187798
Energy: 1.9602964695249558
Energy: 2.2268241911893303
Energy: 2.2477890407654275
Energy: 2.110344754676603
Energy: 2.1092905641769555
Energy: 2.110344754678135

minimum gb energy = 1.9592671187614623 eV
minimum distance =  2.25462575790825 Angstroms
sigma value = 17


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

Energy: 3.166199908726292
Energy: 2.190497540427534
Energy: 2.3161632568335646
Energy: 2.1904975404257985
Energy: 2.0178973431139564
Energy: 2.055361627730226
Energy: 2.208073705050854
Energy: 2.0553616277310933
Energy: 2.097567607856995
Energy: 2.0974747286937125
Energy: 2.301071457894811
Energy: 2.0974747286937125
Energy: 2.097756648895443
Energy: 2.2699482842079615
Energy: 2.0953756847114664
Energy: 2.2699482842079615
Energy: 2.09756722736263
Energy: 2.2194963840254736
Energy: 2.020271793786086
Energy: 2.2194963840029125
Energy: 2.095843340363366
Energy: 2.1398250008125226
Energy: 2.097052358562879
Energy: 2.1398250008125226
Energy: 2.1668989381799255
Energy: 2.094849574901365
Energy: 2.0968469379314576
Energy: 2.094849574900497
Energy: 2.3779441744708216
Energy: 2.0944397039835323
Energy: 2.0591849815285728
Energy: 2.0944397039843996
Energy: 2.301408171886905
Energy: 2.275896848955598
Energy: 2.3008386772937865
Energy: 2.27589684895473
Energy: 2.2756796403997748
Energy: 2.2753597084125676
Energy: 2.207657130629007
Energy: 2.275359708410832
Energy: 2.0938846390235657
Energy: 2.0238372555545303
Energy: 2.052427672359727
Energy: 2.023837255555398
Energy: 2.2766625615167477
Energy: 2.0550532124594523
Energy: 2.0563594328527337
Energy: 2.055053212458584
Energy: 2.1670210945618122
Energy: 2.0552008487549007
Energy: 2.0559266137783743
Energy: 2.055200848754033
Energy: 2.1682543926017277
Energy: 2.0554377775122012
Energy: 2.0544144167245904
Energy: 2.0554377775373265
Energy: 2.274877896330887
Energy: 2.2742109937655215
Energy: 2.381053732173845
Energy: 2.2742109937655215
Energy: 2.297503977103365
Energy: 2.274252251863544
Energy: 2.3816197780127033
Energy: 2.274252251864412
Energy: 2.2774176742207586
Energy: 2.094933263251001
Energy: 2.0974001447798694
Energy: 2.094933263251001
Energy: 2.2773518934791963
Energy: 2.09497546447394
Energy: 2.0933522757194805
Energy: 2.0949754644730727
Energy: 2.0960739748910666
Energy: 2.2191766424021004
Energy: 2.0977816113133807
Energy: 2.2191766424012327
Energy: 2.0216114661948907
Energy: 2.1419973394373333
Energy: 2.098855318177655
Energy: 2.1419973394338627
Energy: 2.0957697606238668
Energy: 2.096626656875226
Energy: 2.377665844790341
Energy: 2.096626656876093
Energy: 2.097414140038277
Energy: 2.1174332605040638
Energy: 2.1673357353266964
Energy: 2.117433260504931
Energy: 2.2048797054460905
Energy: 2.2755880952900003
Energy: 2.2059127463150014
Energy: 2.2755880952882652
Energy: 2.302888518501283
Energy: 2.275863800395009
Energy: 2.2761035798212945
Energy: 2.275863800394141
Energy: 2.0553696722400217
Energy: 2.055364224486274
Energy: 2.27651709482632
Energy: 2.055364224486274
Energy: 2.0561326138539417
Energy: 2.0560081327025324
Energy: 2.094026800088402
Energy: 2.0560081329037296
Energy: 2.051705429549216
Energy: 2.0560741106209695
Energy: 2.169976678774007
Energy: 2.0560741106218376
Energy: 2.059184313572018
Energy: 2.0554011297506998
Energy: 2.167742623683799
Energy: 2.055401129749832
Energy: 2.055295555202776
Energy: 2.054663711564176
Energy: 2.1670287403966846
Energy: 2.054663711565044
Energy: 2.384701593510131
Energy: 2.2762278171314363
Energy: 2.275205407588003
Energy: 2.2762278171305685

minimum gb energy = 2.0178973431139564 eV
minimum distance =  2.26025586958899 Angstroms
sigma value = 53


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

Energy: 2.9153460974921686
Energy: 2.0068277846557803
Energy: 2.2612115688099452
Energy: 2.006827784657778
Energy: 2.405854170150287
Energy: 2.1204238356974687
Energy: 2.2073177571974143
Energy: 2.1204238356954708
Energy: 2.2069244742251337
Energy: 2.206788653350487
Energy: 2.2244401231727955
Energy: 2.2067886533524845
Energy: 2.21224047194142
Energy: 2.122691993884451
Energy: 2.2046873107447347
Energy: 2.122691993884451
Energy: 2.2329097289466113
Energy: 2.1213442511392455
Energy: 1.9923834798108624
Energy: 2.121344251141244
Energy: 2.203862355849477
Energy: 2.125217955870534
Energy: 1.9944618911058924
Energy: 2.1252179558725315
Energy: 2.4004551459592407
Energy: 2.2062318945297505
Energy: 2.206941616470911
Energy: 2.2062318945297505
Energy: 2.400539194994491
Energy: 2.2044558576312427
Energy: 2.2018110342097725
Energy: 2.2044558576312427
Energy: 2.211008829999225
Energy: 2.209123616248824
Energy: 2.224435512789782
Energy: 2.209123616248824
Energy: 2.2037160170231336
Energy: 2.205696596759846
Energy: 2.2100204077637735
Energy: 2.205696596759846
Energy: 2.2328915674849625
Energy: 2.1306564939724675
Energy: 1.9938127827865038
Energy: 2.1306564939724675
Energy: 2.2101453138477485
Energy: 2.120903253454736
Energy: 1.9885089122765789
Energy: 2.120903253452738
Energy: 2.400461903253869
Energy: 2.2043908159477654
Energy: 2.202135433939358
Energy: 2.204390815945768

minimum gb energy = 1.9885089122765789 eV
minimum distance =  2.2500069740802 Angstroms
sigma value = 9


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

Energy: 3.0601019809227323
Energy: 2.3073707014517115
Energy: 2.446749290699633
Energy: 2.307370701453191
Energy: 2.1325469183560375
Energy: 2.1004138407909503
Energy: 2.3760680058218155
Energy: 2.1004138407976045
Energy: 2.097121444422308
Energy: 2.1007890474708875
Energy: 2.4044377768810814
Energy: 2.100789047464233
Energy: 2.1050457982719357
Energy: 2.102589872815879
Energy: 2.4743124321698917
Energy: 2.10258987281514
Energy: 2.1012967444910657
Energy: 2.099559751976808
Energy: 2.474634037701269
Energy: 2.099559751977548
Energy: 2.1006343281577315
Energy: 2.1001435884746793
Energy: 2.4697462176505613
Energy: 2.1001435884739403
Energy: 2.4260827460459944
Energy: 2.3509067505490635
Energy: 2.380823821023981
Energy: 2.3509067505490635
Energy: 2.3445863137795917
Energy: 2.3489441010887187
Energy: 2.348765291893071
Energy: 2.3489441010894576
Energy: 2.172370155754443
Energy: 2.3300127412762457
Energy: 2.183816700147584
Energy: 2.330012741274767
Energy: 2.1532101543154134
Energy: 2.204253523151185
Energy: 2.3567129829259543
Energy: 2.204253523148967
Energy: 2.1666096918130346
Energy: 2.167331828828865
Energy: 2.259213451421192
Energy: 2.167331828825168
Energy: 2.2397407028973135
Energy: 2.1707192727330575
Energy: 2.473556836184707
Energy: 2.1707192727315787
Energy: 2.343256320151235
Energy: 2.190556522063069
Energy: 2.1929562138280367
Energy: 2.190556522060851
Energy: 2.3645289142338415
Energy: 2.192232454036862
Energy: 2.197577716423017
Energy: 2.1922324540398197
Energy: 2.3097028044841523
Energy: 2.192841442711297
Energy: 2.1945273334556505
Energy: 2.1928414427127754
Energy: 2.280702145095674
Energy: 2.3188539001084285
Energy: 2.1944897801523595
Energy: 2.318853900111386
Energy: 2.282642119914147
Energy: 2.3379577991266367
Energy: 2.195413380437907
Energy: 2.33795779912294
Energy: 2.2774232108536547
Energy: 2.2234580956516274
Energy: 2.470916776089731
Energy: 2.2234580956501486
Energy: 2.2884579024721683
Energy: 2.4275779870653946
Energy: 2.139383588315149
Energy: 2.427577987061698
Energy: 2.405685012682973
Energy: 2.1379878198158604
Energy: 2.1405587630464056
Energy: 2.1379878198165994
Energy: 2.4384596331758837
Energy: 2.1392118714718986
Energy: 2.1340871349236226
Energy: 2.1392118714689414
Energy: 2.471367665443348
Energy: 2.1358763761758985
Energy: 2.1363043348012494
Energy: 2.1358763761758985
Energy: 2.476108673368609
Energy: 2.138085479250049
Energy: 2.1436262562056747
Energy: 2.138085479250049
Energy: 2.4514140544471843
Energy: 2.3640507342449073
Energy: 2.344434458238174
Energy: 2.3640507342419497
Energy: 2.363693106556508
Energy: 2.3627498405636844
Energy: 2.345053533081532
Energy: 2.362749840561466
Energy: 2.1833243352953597
Energy: 2.2960279248036546
Energy: 2.15618086572504
Energy: 2.2960279248080235
Energy: 2.3726415969721155
Energy: 2.310844380128896
Energy: 2.1913400466809287
Energy: 2.310844380125938
Energy: 2.297744983205176
Energy: 2.1540119266895137
Energy: 2.154198293591571
Energy: 2.1540119266872955
Energy: 2.4734988870373367
Energy: 2.1583944097722685
Energy: 2.1851168069580065
Energy: 2.1583944097700503
Energy: 2.1553234720664944
Energy: 2.153949453639949
Energy: 2.3438828876398254
Energy: 2.1539494536421673
Energy: 2.161646258480814
Energy: 2.1566398874464103
Energy: 2.4065460881498604
Energy: 2.1566398874464103
Energy: 2.1565631781828802
Energy: 2.160732474564739
Energy: 2.350467361690247
Energy: 2.1607324745654783
Energy: 2.1866523590523963
Energy: 2.3814625494106183
Energy: 2.2808766314762985
Energy: 2.3814625494069213
Energy: 2.1570767757233384
Energy: 2.2732892405169816
Energy: 2.280600819318853
Energy: 2.2732892405147638
Energy: 2.4776471955147312
Energy: 2.352196944292589
Energy: 2.3492883028385347
Energy: 2.352196944294068

minimum gb energy = 2.097121444422308 eV
minimum distance =  2.2228799946361 Angstroms
sigma value = 73


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

Energy: 2.6675792713336497
Energy: 2.1009311266923
Energy: 2.257326991158674
Energy: 2.1009311266923
Energy: 2.2765763058479833
Energy: 2.100994315582085
Energy: 2.2804994169407657
Energy: 2.1009943155832578
Energy: 2.091076438956755
Energy: 2.0935990037600343
Energy: 2.2473257391829677
Energy: 2.0935990037600343
Energy: 2.0938692196444433
Energy: 2.0958468816947566
Energy: 2.4278655065986086
Energy: 2.09584688169593
Energy: 2.099587768866716
Energy: 2.100770556240418
Energy: 2.4242186473561014
Energy: 2.100770556239272
Energy: 2.1013257170632564
Energy: 2.10117483364451
Energy: 2.4241514913230775
Energy: 2.1011748336468563
Energy: 2.2721228875733854
Energy: 2.256212991899299
Energy: 2.28680342226753
Energy: 2.256212991898152
Energy: 2.2735107104440777
Energy: 2.25145270095752
Energy: 2.250484515725914
Energy: 2.25145270095752
Energy: 2.253239542800293
Energy: 2.252261956671667
Energy: 2.256990333967035
Energy: 2.252261956669321
Energy: 2.1179668670760967
Energy: 2.252913513644036
Energy: 2.254850893664577
Energy: 2.252913459104823
Energy: 2.2483347471150013
Energy: 2.2517230846561014
Energy: 2.4243316778435
Energy: 2.2517230846561014
Energy: 2.286987023850638
Energy: 2.25254855589733
Energy: 2.428387880580031
Energy: 2.252548555898503
Energy: 2.2470403733067204
Energy: 2.100704088568238
Energy: 2.1015574214420023
Energy: 2.100704088568238
Energy: 2.2483062120043416
Energy: 2.0997641637620545
Energy: 2.0960809719409026
Energy: 2.0997641637608813
Energy: 2.426961049367648
Energy: 2.0937356316577076
Energy: 2.0919041668060516
Energy: 2.0937356316577076
Energy: 2.4244677139182507
Energy: 2.095401257816158
Energy: 2.0921621476266363
Energy: 2.095401257816158
Energy: 2.423983070552458
Energy: 2.100517954298208
Energy: 2.101922767278503
Energy: 2.100517954299381
Energy: 2.287624836233598
Energy: 2.2533008077850676
Energy: 2.4288618957412766
Energy: 2.2533008077850676
Energy: 2.25177375878615
Energy: 2.254229623566645
Energy: 2.2751572879439905
Energy: 2.2542296235654717
Energy: 2.2514657705509205
Energy: 2.246826804448089
Energy: 2.254782645505035
Energy: 2.246826804446916
Energy: 2.2511698663259496
Energy: 2.2525249753437464
Energy: 2.115081877461594
Energy: 2.2525249753449197
Energy: 2.428629141157589
Energy: 2.2517034317724756
Energy: 2.252621279840272
Energy: 2.2517034317724756

minimum gb energy = 2.091076438956755 eV
minimum distance =  2.23345895804183 Angstroms
sigma value = 7


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

Energy: 2.502872469724444
Energy: 2.1974805443877785
Energy: 2.2576243448271445
Energy: 2.1974805443861194
Energy: 2.172837308649525
Energy: 2.2538501308050707
Energy: 2.2852100247083693
Energy: 2.2538501308009233
Energy: 2.1142093155469945
Energy: 2.1132012896031105
Energy: 2.3113387098101326
Energy: 2.113201289600622
Energy: 2.1260009668659574
Energy: 2.1211181280668256
Energy: 2.5054752148949055
Energy: 2.1211181280668256
Energy: 2.1123364817482684
Energy: 2.11003815929657
Energy: 2.386931245841262
Energy: 2.1100381592949113
Energy: 2.1982427353783685
Energy: 2.110567189853835
Energy: 2.3892524071187657
Energy: 2.1105671898513463
Energy: 2.3108708211654996
Energy: 2.1137661685673392
Energy: 2.140937339432092
Energy: 2.1137661685648506
Energy: 2.2705610357438633
Energy: 2.1086905999069825
Energy: 2.108683223184914
Energy: 2.108690599908641
Energy: 2.4420163902549428
Energy: 2.1388858558309023
Energy: 2.138176351361472
Energy: 2.138885855831732
Energy: 2.3808339080151275
Energy: 2.424886067489831
Energy: 2.112220380329428
Energy: 2.4248860674923196
Energy: 2.439165753837336
Energy: 2.3069203470620554
Energy: 2.423835030337798
Energy: 2.306920347064543
Energy: 2.3087052656877116
Energy: 2.312522536809433
Energy: 2.3116402522789086
Energy: 2.312522536810263
Energy: 2.3142142886605326
Energy: 2.3112704165574454
Energy: 2.203189938989804
Energy: 2.311270416558275
Energy: 2.3094309504081356
Energy: 2.2936507150692864
Energy: 2.171966687785219
Energy: 2.2936507150701155
Energy: 2.3117992334793613
Energy: 2.106110603494869
Energy: 2.1776195632951167
Energy: 2.106110603495698
Energy: 2.3568165143767725
Energy: 2.109639882220289
Energy: 2.235233252518658
Energy: 2.1096398822186293
Energy: 2.474109845108466
Energy: 2.1025384602106376
Energy: 2.2528739728428566
Energy: 2.1025384602122963
Energy: 2.1645643087306756
Energy: 2.3766036158854518
Energy: 2.311977380760133
Energy: 2.3766036158862818
Energy: 2.1766424873932393
Energy: 2.1781115237488047
Energy: 2.326881876904666
Energy: 2.1781115237454864
Energy: 2.162229206684683
Energy: 2.1622403568719584
Energy: 2.414405055492016
Energy: 2.16224035686947
Energy: 2.291776079614342
Energy: 2.165168234655948
Energy: 2.326084998807389
Energy: 2.165168234655948
Energy: 2.3711876761640087
Energy: 2.1151479006515683
Energy: 2.2404599195502275
Energy: 2.115147900649909
Energy: 2.372989452832785
Energy: 2.114126344723624
Energy: 2.1163377348655077
Energy: 2.1141263447261123
Energy: 2.4178371945625314
Energy: 2.1221312698116357
Energy: 2.1203973587978404
Energy: 2.1221312698099766
Energy: 2.380650726816365
Energy: 2.116431308120486
Energy: 2.1176911838457584
Energy: 2.116431308118827
Energy: 2.4507923413851307
Energy: 2.5102467111059728
Energy: 2.117210552791037
Energy: 2.5102467111059728
Energy: 2.2565275384813175
Energy: 2.257005309222215
Energy: 3.417245294779878
Energy: 2.2570053092280213
Energy: 2.257475414431504
Energy: 2.2573097585563633
Energy: 2.2525301087060416
Energy: 2.2573097585563633
Energy: 2.2607120819240927
Energy: 2.2461597009376226
Energy: 2.2593740695885063
Energy: 2.2461597009392817
Energy: 2.2556002492576317
Energy: 2.253310746194333
Energy: 2.1720094829737575
Energy: 2.2533107461959925
Energy: 2.4150322137174927
Energy: 2.252836056003292
Energy: 2.258277943820694
Energy: 2.2528360560024625

minimum gb energy = 2.1025384602106376 eV
minimum distance =  2.2203569462182 Angstroms
sigma value = 29


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

Energy: 2.036979005393327
Energy: 2.0373760054510823
Energy: 2.049945148845114
Energy: 2.037376005451339
Energy: 2.021052347847524
Energy: 2.168179498308896
Energy: 2.0415779568043844
Energy: 2.1681794983097307
Energy: 2.0422172819728557
Energy: 2.1812811839395527
Energy: 2.029166352539633
Energy: 2.181281183940099
Energy: 2.0252222629403174
Energy: 2.0420614643910726
Energy: 2.0403686933581273
Energy: 2.0420614643910726
Energy: 2.040126334355295
Energy: 2.0438013412172054
Energy: 2.027076191515389
Energy: 2.043801341217495
Energy: 2.0399005865263944
Energy: 2.173768447843566
Energy: 2.0274450041105094
Energy: 2.173768447843566
Energy: 2.0281707055235314
Energy: 2.18094629598929
Energy: 2.0406274374332694
Energy: 2.180946295987043
Energy: 2.041265049535338
Energy: 2.0444893445879737
Energy: 2.021525503538218
Energy: 2.044489344588263
Energy: 2.0205585442960023
Energy: 2.0424256734889346
Energy: 2.041296759141226
Energy: 2.0424256734892237

minimum gb energy = 2.0205585442960023 eV
minimum distance =  2.22725197347646 Angstroms
sigma value = 5


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

Energy: 2.6667693014852603
Energy: 1.8814652975668569
Energy: 2.2553623455268332
Energy: 1.8814652975668569
Energy: 1.9702950252591473
Energy: 1.9283971547846477
Energy: 2.2950555557326586
Energy: 1.9283971547838643
Energy: 2.29551660464033
Energy: 2.072076427660477
Energy: 2.301960458538033
Energy: 2.072076427659693
Energy: 1.9688388854114667
Energy: 1.925238804618889
Energy: 2.287944749375595
Energy: 1.9252388046094862
Energy: 2.286977398783357
Energy: 1.9255745828971749
Energy: 2.297093230153326
Energy: 1.9255745828971749
Energy: 1.9285812474573771
Energy: 1.9257935743357504
Energy: 2.2962662927745767
Energy: 1.9257935743357504
Energy: 1.9266911292352646
Energy: 1.9256404449612026
Energy: 2.288707258736564
Energy: 1.9256404449604192
Energy: 1.9298772215290318
Energy: 1.928372389503739
Energy: 2.597030837140457
Energy: 1.9283723895029556
Energy: 1.9740799593646547
Energy: 1.9842561998496142
Energy: 2.608718107105568
Energy: 1.9842561998503978
Energy: 2.3031301006804625
Energy: 1.8811394647816042
Energy: 1.8831035618652623
Energy: 1.8811394647800372
Energy: 1.9737434783168255
Energy: 1.8813743651342887
Energy: 1.882652107072762
Energy: 1.8813743651342887
Energy: 2.594621827024615
Energy: 1.8810727712076076
Energy: 1.8828702238935835
Energy: 1.8810727712076076
Energy: 2.594826086327427
Energy: 1.8818758150824586
Energy: 1.884486648640004
Energy: 1.8818758150824586
Energy: 1.9713556518887454
Energy: 1.9803316782266078
Energy: 2.2988649942247714
Energy: 1.9803316782289584
Energy: 1.928779497134042
Energy: 1.9266279458246722
Energy: 2.297559986881718
Energy: 1.9266279458246722
Energy: 1.9287393951071985
Energy: 1.9276280000478465
Energy: 2.286167484061368
Energy: 1.9276280000494135
Energy: 1.9275066441523658
Energy: 1.9255687454865835
Energy: 1.9678162286508718
Energy: 1.9255687454858
Energy: 2.295323483239575
Energy: 1.9278271920677499
Energy: 1.9700952740026147
Energy: 1.927827192066183
Energy: 2.304912086432638
Energy: 2.071737461645568
Energy: 2.2929106659371166
Energy: 2.0717374616463515
Energy: 2.2897104587360215
Energy: 1.925269767409505
Energy: 1.9660966801684008
Energy: 1.9252697674110721
Energy: 2.296713641326489
Energy: 1.9262592885263892
Energy: 2.2896910631828638
Energy: 1.9262592885263892
Energy: 2.2979568183411923
Energy: 1.9255507819002604
Energy: 1.9277274760144607
Energy: 1.9255507818986934
Energy: 2.2876269671154428
Energy: 1.9261985880003292
Energy: 1.9275856370880111
Energy: 1.9261985880011128
Energy: 2.597027579559011
Energy: 1.9285992961140688
Energy: 1.929241489213562
Energy: 1.9285992961156355
Energy: 2.5960367190041795
Energy: 1.9803816649330241
Energy: 1.9734871485721122
Energy: 1.9803816649338077
Energy: 1.8837756809737922
Energy: 1.8814410060156974
Energy: 2.303261720315313
Energy: 1.881441006016481
Energy: 1.8828861432822928
Energy: 1.8809734467438028
Energy: 1.9742643320692377
Energy: 1.8809734467461536
Energy: 1.8825877102822541
Energy: 1.8809174220975453
Energy: 1.9768483113975752
Energy: 1.8809174220967617
Energy: 1.884362805914969
Energy: 1.8810298736743252
Energy: 2.5946577411787413
Energy: 1.8810298736751088
Energy: 2.2994870954403575
Energy: 1.97957228941166
Energy: 1.9706817621420052
Energy: 1.9795722894124437
Energy: 2.2998607174057066
Energy: 1.9273479342474116
Energy: 1.9294859595124096
Energy: 1.9273479342481952
Energy: 2.2852152589409944
Energy: 1.9273259723888079
Energy: 1.9287630069861685
Energy: 1.9273259723888079
Energy: 1.9707219595570715
Energy: 1.9253126879706182
Energy: 1.92738395197289
Energy: 1.9253126879714018

minimum gb energy = 1.8809174220967617 eV
minimum distance =  2.21305187868104 Angstroms
sigma value = 1


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

Energy: 2.8605952775023615
Energy: 1.7690121309362041
Energy: 2.1697538815027024
Energy: 1.7690121309362041
Energy: 1.8745728716362497
Energy: 1.8241712247393882
Energy: 2.334100721796112
Energy: 1.8241712247404716
Energy: 2.3369366581974593
Energy: 2.0094762776899207
Energy: 2.343250554211737
Energy: 2.0094762776899207
Energy: 1.8690628520951083
Energy: 2.010944108835039
Energy: 2.321743166916425
Energy: 2.0109441088372058
Energy: 1.8220292688847517
Energy: 1.8200657308697488
Energy: 2.3345527695695982
Energy: 1.8200657308697488
Energy: 1.8191571522735739
Energy: 1.820928671469402
Energy: 2.3317828646112257
Energy: 1.8209286714672348
Energy: 1.8176178200487185
Energy: 1.818995945679456
Energy: 2.3235267208127643
Energy: 1.8189959456816227
Energy: 1.8241247472334035
Energy: 1.8255584322828047
Energy: 2.764013425070194
Energy: 1.8255584322817213
Energy: 2.3286846542136748
Energy: 1.9044834101497292
Energy: 2.7644391645111126
Energy: 1.904483410151896
Energy: 2.3344698699373647
Energy: 1.8254293609291539
Energy: 1.8244065548116257
Energy: 1.8254293609280705
Energy: 2.3254518265923836
Energy: 1.8183995932679677
Energy: 1.8167444668853567
Energy: 1.8183995932679677
Energy: 2.7631193042512496
Energy: 1.821917711242055
Energy: 1.8210180068871211
Energy: 1.821917711242055
Energy: 2.763190403336028
Energy: 1.8198130759607485
Energy: 1.821470265514223
Energy: 1.819813075961832
Energy: 1.8253891095489907
Energy: 2.011604381690694
Energy: 2.341126102655372
Energy: 2.011604381690694
Energy: 1.8732411281348762
Energy: 2.009301469620312
Energy: 2.337270331501695
Energy: 2.009301469620312
Energy: 1.8776729929030271
Energy: 1.8231052000726835
Energy: 2.3230073519795447
Energy: 1.8231052000716002
Energy: 1.8208119013733657
Energy: 1.820806497398017
Energy: 2.3414745205909995
Energy: 1.82080649739585
Energy: 1.8225950594592568
Energy: 1.8247002888022326
Energy: 2.3251799308953363
Energy: 1.8247002888043502
Energy: 1.8176363942518532
Energy: 1.818875685712561
Energy: 2.7644604578829397
Energy: 1.818875685712561
Energy: 1.8224695223835412
Energy: 1.8268819614078957
Energy: 2.7645246340030836
Energy: 1.8268819614078957
Energy: 2.3352256806618708
Energy: 1.9050594182638105
Energy: 2.3215845418915735
Energy: 1.9050594182670606
Energy: 2.3386594586979137
Energy: 1.8238276414626227
Energy: 1.8236913462903004
Energy: 1.8238276414615393
Energy: 1.824329157069658
Energy: 1.8208478026440218
Energy: 1.8211989278530103
Energy: 1.8208478026418549
Energy: 2.7630681019735226
Energy: 1.8199510685356326
Energy: 1.8184299641991473
Energy: 1.8199510685334654

minimum gb energy = 1.7690121309362041 eV
minimum distance =  2.2160427197359 Angstroms
sigma value = 17


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

Energy: 2.0837968265381113
Energy: 1.7627754952439432
Energy: 2.1564658037575084
Energy: 1.7627754952499697
Energy: 1.7972138990781088
Energy: 1.785763779970358
Energy: 2.112596811516164
Energy: 1.785763779969019
Energy: 2.276642437285128
Energy: 1.780980676833527
Energy: 2.113007155097507
Energy: 1.7809806768275003
Energy: 2.2733295682881667
Energy: 1.873046077378836
Energy: 2.09870313382721
Energy: 1.8730460773754882
Energy: 2.0666406204637697
Energy: 1.7477173760444662
Energy: 2.075354409498811
Energy: 1.7477173760458053
Energy: 1.7479645076099588
Energy: 1.7476814842957589
Energy: 2.282670409902082
Energy: 1.7476814842950892
Energy: 1.7471483206670846
Energy: 1.7469173416891033
Energy: 1.8153790755902912
Energy: 1.7469173416891033
Energy: 1.748573726584125
Energy: 1.7473032910526856
Energy: 2.0833079010210525
Energy: 1.7473032910479982
Energy: 2.3875953274314887
Energy: 1.7475324467576192
Energy: 1.9628393132790032
Energy: 1.7475324467576192
Energy: 2.2359069663394937
Energy: 2.0792692839830584
Energy: 1.9629402470287576
Energy: 2.0792692839877462
Energy: 2.3835324281311436
Energy: 2.043536553966524
Energy: 1.9770948458237003
Energy: 2.043536553964515
Energy: 2.2747245758269994
Energy: 1.7924969035069824
Energy: 1.96008466613493
Energy: 1.7924969035109999
Energy: 2.2936037559863434
Energy: 1.7913454139143168
Energy: 1.7920617588012016
Energy: 1.7913454139163256
Energy: 1.9021917644913178
Energy: 1.7922798083902887
Energy: 1.794233315489476
Energy: 1.7922798083896192
Energy: 2.292760078811097
Energy: 1.797950097066305
Energy: 1.8007259955158381
Energy: 1.797950097069653
Energy: 2.0660524012968775
Energy: 1.7947093921407615
Energy: 1.9612138305664324
Energy: 1.794709392138083
Energy: 1.9030934843678744
Energy: 1.7456771419448074
Energy: 2.0708155824373646
Energy: 1.7456771419434682
Energy: 1.9158454086582368
Energy: 1.7419686921619304
Energy: 2.384071271871385
Energy: 1.7419686921632693
Energy: 1.9038607382857962
Energy: 1.742530893739939
Energy: 2.100958419835378
Energy: 1.7425308937359212
Energy: 1.9203747289163902
Energy: 1.7431286509815203
Energy: 1.9805195931889998
Energy: 1.7431286509815203
Energy: 2.233277861608554
Energy: 1.7418091006151755
Energy: 2.2449950392018274
Energy: 1.7418091006145058
Energy: 2.236258495531815
Energy: 2.1239153624785074
Energy: 2.2822746007215424
Energy: 2.123915362480516
Energy: 2.2204739437343246
Energy: 2.0297919644636004
Energy: 2.296353468684715
Energy: 2.0297919644609212
Energy: 2.081608341805238
Energy: 1.7604252340491886
Energy: 2.241852348846498
Energy: 1.7604252340498583
Energy: 2.27510250719417
Energy: 1.759346602766047
Energy: 1.7593139249672272
Energy: 1.759346602764038
Energy: 2.2394220862471657
Energy: 1.7594039320746468
Energy: 1.7596349486413216
Energy: 1.7594039320692898
Energy: 2.069975283346068
Energy: 1.7594497052526814
Energy: 1.7611600998959398
Energy: 1.759449705253351
Energy: 1.9805040711210622
Energy: 1.7594038740071358
Energy: 2.1380813664297778
Energy: 1.7594038740151714
Energy: 2.1057533035370573
Energy: 2.0846976369711037
Energy: 2.234662576732884
Energy: 2.0846976369731123
Energy: 1.9720517349099098
Energy: 1.7815337494496921
Energy: 2.2423311220243645
Energy: 1.7815337494543795
Energy: 2.094517123814228
Energy: 1.7793617763248906
Energy: 2.2829730033225295
Energy: 1.7793617763175247
Energy: 1.7799820782133327
Energy: 1.7790808854465645
Energy: 2.2859530918131927
Energy: 1.7790808854499125
Energy: 1.7802544932585247
Energy: 1.7793892166775527
Energy: 1.7827673507442972
Energy: 1.7793892166775527
Energy: 1.788529508326522
Energy: 1.7878132006756213
Energy: 2.2725697538806697
Energy: 1.7878132006776302
Energy: 1.9464823503672513
Energy: 1.8340621240703598
Energy: 1.952858180004151
Energy: 1.834062124068351
Energy: 2.075469144959058
Energy: 1.7816652880402541
Energy: 1.7831682997373888
Energy: 1.7816652880389148
Energy: 2.227247874881516
Energy: 1.778080318483406
Energy: 1.7782321622990105
Energy: 1.7780803184847456
Energy: 2.248464790761272
Energy: 1.7803605068520134
Energy: 1.7823534586137673
Energy: 1.7803605068513437

minimum gb energy = 1.7418091006145058 eV
minimum distance =  2.20598003510268 Angstroms
sigma value = 89


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

Energy: 3.775640378555293
Energy: 1.6115660278328936
Energy: 2.010997999720257
Energy: 1.6115660278328936
Energy: 1.6187282457517143
Energy: 1.767423213472333
Energy: 1.6286448158184104
Energy: 1.767423213472333
Energy: 1.6178566923757072
Energy: 1.766240234381251
Energy: 1.6251497342625196
Energy: 1.766240234381251
Energy: 1.6128059217241058
Energy: 1.7615704533179104
Energy: 1.6189648429102816
Energy: 1.7615704533196626
Energy: 1.6179839648361654
Energy: 1.619165795533684
Energy: 1.6149700416765638
Energy: 1.619165795533684
Energy: 1.617583033496844
Energy: 1.6183728547577985
Energy: 1.6139038170606252
Energy: 1.6183728547577985
Energy: 1.6162502911015306
Energy: 1.616334893314316
Energy: 1.621155117808049
Energy: 1.616334893314316
Energy: 1.6177127593429812
Energy: 1.6180331863473567
Energy: 1.6120473256531846
Energy: 1.6180331863473567
Energy: 1.6246579065704274
Energy: 1.6164499645072261
Energy: 1.6252663759874062
Energy: 1.6164499645072261
Energy: 1.622104602880411
Energy: 1.760796395063682
Energy: 1.6240602109176927
Energy: 1.760796395063682
Energy: 1.6210816312452518
Energy: 1.759333642909475
Energy: 1.6094423326639795
Energy: 1.7593336429112274
Energy: 1.6144104161951895
Energy: 1.6165552734251478
Energy: 1.6216822604647123
Energy: 1.616555273428652
Energy: 1.6149611078054493
Energy: 1.6189682683431696
Energy: 1.6176845995911633
Energy: 1.6189682683431696
Energy: 1.619889103449048
Energy: 1.6152679939522248
Energy: 1.6151625103153946
Energy: 1.6152679939504726
Energy: 1.6222852965166592
Energy: 1.6190425445377268
Energy: 1.6180229912619404
Energy: 1.6190425445377268

minimum gb energy = 1.6094423326639795 eV
minimum distance =  2.2358750074832 Angstroms
sigma value = 13


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

Energy: 3.282079133676121
Energy: 1.470661191697426
Energy: 1.9144149712207967
Energy: 1.4706611916944885
Energy: 1.4946974010881195
Energy: 1.4843204880478105
Energy: 1.8480013177167012
Energy: 1.4843204880522167
Energy: 1.494851695653727
Energy: 1.4829163333500188
Energy: 1.8499290071613899
Energy: 1.4829163333456126
Energy: 2.1837275134190124
Energy: 1.4811679849303796
Energy: 1.8462351593703186
Energy: 1.4811679849303796
Energy: 1.8506156233542745
Energy: 1.481466408015793
Energy: 1.8507720091565232
Energy: 1.4814664080165276
Energy: 1.8478649966717984
Energy: 1.4866956084878558
Energy: 1.8452633485668983
Energy: 1.4866956084849186
Energy: 1.8489894819767916
Energy: 1.4835326710798926
Energy: 1.8431201611571078
Energy: 1.48353267108283
Energy: 1.848065610097678
Energy: 1.4838672903590941
Energy: 1.844604937543108
Energy: 1.4838672903620316
Energy: 1.4819947764385721
Energy: 1.4806625855209914
Energy: 1.851617605408063
Energy: 1.48066258552246
Energy: 1.4819831519676254
Energy: 1.4815236907612657
Energy: 1.8494387907596381
Energy: 1.4815236907612657
Energy: 1.4838597033520435
Energy: 1.481726556693491
Energy: 1.493700179721341
Energy: 1.481726556689085
Energy: 1.8453259102720514
Energy: 1.5673743364890516
Energy: 1.8491343061325234
Energy: 1.5673743364875827
Energy: 1.853799366357112
Energy: 1.5639771927474797
Energy: 1.8430643288445159
Energy: 1.5639771927416048
Energy: 1.8466464060184868
Energy: 1.56468759034628
Energy: 2.1846705295013247
Energy: 1.5646875903492174
Energy: 1.8467017718300844
Energy: 1.4819563860634297
Energy: 1.8474838756875227
Energy: 1.4819563860656326
Energy: 1.8467678843802826
Energy: 1.4872450941612014
Energy: 1.4880091219505127
Energy: 1.4872450941589985
Energy: 1.842699650063061
Energy: 1.4835539504070947
Energy: 1.4867987895496009
Energy: 1.4835539504107664
Energy: 1.5062086293947676
Energy: 1.483831016952716
Energy: 1.4879448713332553
Energy: 1.4838310169556534
Energy: 2.1837074883256435
Energy: 1.4808613899423593
Energy: 1.841787691217695
Energy: 1.4808613899460312
Energy: 1.850570758951589
Energy: 1.4817563559218483
Energy: 1.8521268081872013
Energy: 1.481756355924786
Energy: 2.381193506366303
Energy: 1.4817409417589171
Energy: 1.8420553850066725
Energy: 1.4817409417603857
Energy: 1.849001534118591
Energy: 1.483354470305363
Energy: 1.8439573879845403
Energy: 1.4833544703009567
Energy: 1.8426603931793668
Energy: 1.4816613225336934
Energy: 1.8522961493290768
Energy: 1.4816613225403028
Energy: 1.494564435245995
Energy: 1.4817030114424758
Energy: 1.8467867315865292
Energy: 1.4817030114461476
Energy: 1.8434213825620611
Energy: 1.481850066127493
Energy: 1.8466469818867937
Energy: 1.4818500661304304
Energy: 1.482200375413204
Energy: 1.4819632458974987
Energy: 1.8468424875990095
Energy: 1.4819632458974987
Energy: 1.481201060623654
Energy: 1.4813920615427516
Energy: 1.8475206496479442
Energy: 1.4813920615508298
Energy: 1.482604818480125
Energy: 1.4807941076730833
Energy: 1.5063686476064837
Energy: 1.4807941076694118
Energy: 1.841876276499427
Energy: 1.4829083418984603
Energy: 2.184575897741866
Energy: 1.4829083419028666
Energy: 1.8516777900317152
Energy: 1.5645852849707467
Energy: 1.8414857661655912
Energy: 1.5645852849729498
Energy: 2.170097648694701
Energy: 1.5657822197281415
Energy: 2.1861054727102576
Energy: 1.5657822197185949
Energy: 1.8549351096231652
Energy: 1.485551146637119
Energy: 1.8412264491862023
Energy: 1.4855511466393219
Energy: 1.8465186069487125
Energy: 1.4812722410705248
Energy: 1.4837213875561617
Energy: 1.4812722410734622
Energy: 2.1714945892111785
Energy: 1.481397358224531
Energy: 1.4829825051854213
Energy: 1.4813973582201247
Energy: 2.184932384965039
Energy: 1.4822434750832123
Energy: 1.4841476922628207
Energy: 1.4822434750773377

minimum gb energy = 1.4706611916944885 eV
minimum distance =  2.23454397446011 Angstroms
sigma value = 37


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

Energy: 2.8665103393323768
Energy: 1.3379711315251903
Energy: 1.7762899893771944
Energy: 1.3379711315251903
Energy: 1.338697285507636
Energy: 1.333339446864569
Energy: 1.339017874347485
Energy: 1.3333394468633055
Energy: 1.3417626741936486
Energy: 1.3346315377066666
Energy: 1.3409764299605362
Energy: 1.3346315377066666
Energy: 1.3367031272106764
Energy: 1.4915471843735557
Energy: 1.3510393487067447
Energy: 1.4915471843748194
Energy: 1.3490373859699216
Energy: 1.4910217165979012
Energy: 1.9288666150518878
Energy: 1.4910217165991648
Energy: 1.667392616621166
Energy: 1.3362479014735094
Energy: 1.3339113507342006
Energy: 1.3362479014735094
Energy: 1.3389068135324766
Energy: 1.3336657566553811
Energy: 1.3486103148149264
Energy: 1.3336657566553811
Energy: 1.3463948034303712
Energy: 1.3376246475989344
Energy: 1.344256123193985
Energy: 1.3376246476001978
Energy: 1.3353615131615029
Energy: 1.334846238224366
Energy: 1.3357503182353454
Energy: 1.334846238224366
Energy: 1.3332227097566878
Energy: 1.3337470687443758
Energy: 1.6665774125678867
Energy: 1.3337470687443758
Energy: 1.7762899893696138
Energy: 1.3379711315264537
Energy: 2.8665103393323768
Energy: 1.3379711315264537
Energy: 1.3390178743386405
Energy: 1.3333394468633055
Energy: 1.338697285502582
Energy: 1.333339446864569
Energy: 1.3409764299617999
Energy: 1.3346315377054037
Energy: 1.3417626741911217
Energy: 1.3346315377054037
Energy: 1.3510393487080081
Energy: 1.4915471843748194
Energy: 1.3367031272182572
Energy: 1.4915471843748194
Energy: 1.9288666150493614
Energy: 1.4910217165979012
Energy: 1.3490373859711853
Energy: 1.4910217165979012
Energy: 1.3339113507342006
Energy: 1.336247901474773
Energy: 1.339232266462666
Energy: 1.336247901474773
Energy: 1.3486103146987471
Energy: 1.3336657566553811
Energy: 1.3389068135324766
Energy: 1.3336657566553811
Energy: 1.344256123874666
Energy: 1.3376246475989344
Energy: 1.3463948034316344
Energy: 1.3376246475989344
Energy: 1.3357503182340817
Energy: 1.334846238224366
Energy: 1.3353615131615029
Energy: 1.334846238224366
Energy: 1.3408472434959666
Energy: 1.3337470687443758
Energy: 1.3332227097579508
Energy: 1.3337470687443758

minimum gb energy = 1.3332227097566878 eV
minimum distance =  2.23912423212311 Angstroms
sigma value = 25


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

Energy: 2.255282666695615
Energy: 1.1552768588506204
Energy: 1.6271624432854832
Energy: 1.1552768588496338
Energy: 2.1350360811838294
Energy: 1.1525123016742067
Energy: 1.6459819462374443
Energy: 1.1525123016751933
Energy: 2.1328762324373494
Energy: 1.1550919153131975
Energy: 1.6501729715909972
Energy: 1.1550919153131975
Energy: 2.134238137669709
Energy: 1.15576677863543
Energy: 1.648043148518895
Energy: 1.15576677863543
Energy: 2.145176767969881
Energy: 1.2846962007647942
Energy: 2.1459820276939796
Energy: 1.2846962007647942
Energy: 2.137359754697399
Energy: 1.2825850337422862
Energy: 2.1459155605171674
Energy: 1.2825850337403126
Energy: 2.14211732642371
Energy: 1.2848684843882778
Energy: 2.1454360466974802
Energy: 1.2848684843882778
Energy: 1.6479917710232674
Energy: 1.1546965545144023
Energy: 2.144563372891267
Energy: 1.1546965545144023
Energy: 1.651911924508457
Energy: 1.154898111859704
Energy: 2.149525766151917
Energy: 1.154898111859704
Energy: 1.646150783072622
Energy: 1.1529328744061538
Energy: 2.1494324557080913
Energy: 1.1529328744061538
Energy: 1.1611414822883366
Energy: 1.1563840164840309
Energy: 2.9392477625739812
Energy: 1.1563840164810713
Energy: 1.1536215553455467
Energy: 1.1535106213584398
Energy: 2.149913405049492
Energy: 1.1535106213594264
Energy: 1.1560503250864513
Energy: 1.155757877256573
Energy: 2.133875773718487
Energy: 1.1557578772575596
Energy: 1.1571514958776543
Energy: 1.1556130498622246
Energy: 2.133724285885936
Energy: 1.155613049861238
Energy: 1.652441174715189
Energy: 1.1533930240579533
Energy: 2.1459115228999117
Energy: 1.1533930240579533
Energy: 1.6455926584396905
Energy: 1.153071581423939
Energy: 2.132633621686952
Energy: 1.1530715814219659
Energy: 2.1453475828898076
Energy: 1.1557308972760698
Energy: 2.132775685149207
Energy: 1.1557308972751281
Energy: 1.6535678307623047
Energy: 1.280549008747648
Energy: 2.1441603755999217
Energy: 1.2805490087466616
Energy: 2.1499877948714294
Energy: 1.2837432119850751
Energy: 2.140404299999196
Energy: 1.2837432119840886
Energy: 2.1484963319376336
Energy: 1.2837089938486808
Energy: 2.1371498950690504
Energy: 1.2837089938437478
Energy: 2.143501220345238
Energy: 1.1572312781816403
Energy: 1.6522519571429195
Energy: 1.1572312781816403
Energy: 2.1478360556912124
Energy: 1.152376290054252
Energy: 1.155292208998741
Energy: 1.1523762900562255
Energy: 2.1472953684048024
Energy: 1.1555372347429524
Energy: 1.6443999123965944
Energy: 1.155537234743939
Energy: 2.144868021288305
Energy: 1.1556494760921512
Energy: 1.157010662270331
Energy: 1.1556494760892362
Energy: 2.1460476805622317
Energy: 1.1534692887663693
Energy: 1.1547977095124042
Energy: 1.1534692887663693
Energy: 2.1336224502791605
Energy: 1.1536115341450424
Energy: 1.1548034629734134
Energy: 1.1536115341440558

minimum gb energy = 1.152376290054252 eV
minimum distance =  2.24279198911755 Angstroms
sigma value = 41


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

Energy: 2.697643527612627
Energy: 1.027617478046105
Energy: 1.5136484945295845
Energy: 1.027617478046105
Energy: 2.6102953043475607
Energy: 1.0259765128395162
Energy: 1.4407191829524566
Energy: 1.0259765128395162
Energy: 2.608983439440206
Energy: 1.0239145563988534
Energy: 1.4412284949884078
Energy: 1.0239145563980447
Energy: 2.6077956669532685
Energy: 1.0280661377110112
Energy: 1.8685128869276697
Energy: 1.028066137712629
Energy: 2.61794660989151
Energy: 1.0232182002267882
Energy: 2.2412277988020737
Energy: 1.0232182002275971
Energy: 2.615520884783435
Energy: 1.0256800895343852
Energy: 2.235501501952292
Energy: 1.0256800895343852
Energy: 2.6213945082035717
Energy: 1.1352471459835272
Energy: 2.617760468240538
Energy: 1.1352471459835272
Energy: 2.2436450559624226
Energy: 1.1312586262317004
Energy: 2.2446963689860615
Energy: 1.131258626237362
Energy: 1.8567838613365613
Energy: 1.0250639992807116
Energy: 2.6237871102332435
Energy: 1.025063999283138
Energy: 1.854601864897456
Energy: 1.0239023549781168
Energy: 2.6220166173675703
Energy: 1.023902354982161
Energy: 1.4456646740053554
Energy: 1.0258537017260858
Energy: 2.6135458628013875
Energy: 1.025853701724468
Energy: 1.4443078919459063
Energy: 1.0239621271988932
Energy: 2.6212404363765116
Energy: 1.0239621271997021
Energy: 1.440402526299201
Energy: 1.0239664770128412
Energy: 2.6208759179239287
Energy: 1.0239664770136498
Energy: 1.0308706297468269
Energy: 1.0255451221909302
Energy: 2.6136303013633664
Energy: 1.0255451221885037
Energy: 1.0279796565705728
Energy: 1.026721013566966
Energy: 2.6186034916566037
Energy: 1.026721013566966
Energy: 1.0284396632498514
Energy: 1.0255075875558874
Energy: 2.6079347494005236
Energy: 1.0255075875566961
Energy: 1.4432961534661641
Energy: 1.024900680344508
Energy: 2.6078331304915228
Energy: 1.024900680343699
Energy: 1.4455431260393303
Energy: 1.0247662310918266
Energy: 2.6168426286493762
Energy: 1.0247662310918266
Energy: 1.443530128658951
Energy: 1.0257443116741223
Energy: 2.6186673846370874
Energy: 1.0257443116781664
Energy: 2.23394574058735
Energy: 1.0253561289441213
Energy: 2.6151746518044794
Energy: 1.025356128941695
Energy: 2.2327261249684196
Energy: 1.025325377686998
Energy: 2.6173714109947426
Energy: 1.0253253776886158
Energy: 2.235130363995962
Energy: 1.1305328531024417
Energy: 2.6249419755910477
Energy: 1.1305328530975889
Energy: 2.6248700886926235
Energy: 1.1313833178879418
Energy: 2.6119369138216024
Energy: 1.1313833178879418
Energy: 2.2443547613186388
Energy: 1.1316153130683573
Energy: 2.2342282961134665
Energy: 1.131615313057842
Energy: 2.618861133681962
Energy: 1.024229090748403
Energy: 1.8657089019576198
Energy: 1.0242290907435498
Energy: 2.620250842852326
Energy: 1.0247889153327903
Energy: 2.232493265546285
Energy: 1.0247889153312093
Energy: 2.630330312206538
Energy: 1.024942233570386
Energy: 1.442287898587697
Energy: 1.0249422335711948
Energy: 2.616930224608906
Energy: 1.026222188100976
Energy: 1.445981275627139
Energy: 1.026222188102594
Energy: 2.6143741968807697
Energy: 1.0245535695483028
Energy: 1.4424560791225567
Energy: 1.0245535695483028
Energy: 2.614609137173721
Energy: 1.0268525978992775
Energy: 1.0285797160168104
Energy: 1.0268525978968879
Energy: 2.618001541773412
Energy: 1.025617091790057
Energy: 1.0273077888505873
Energy: 1.0256170917908658
Energy: 2.6076115071240005
Energy: 1.027878301844843
Energy: 1.0297436302489136
Energy: 1.027878301844034

minimum gb energy = 1.0232182002267882 eV
minimum distance =  2.24831879314562 Angstroms
sigma value = 15


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

Energy: 2.963683573147383
Energy: 0.9314552766618875
Energy: 1.4317509858817563
Energy: 0.9314552766612023
Energy: 2.938765921226601
Energy: 0.9284633280106446
Energy: 1.2851255380682567
Energy: 0.9284633280120149
Energy: 2.9568339779993664
Energy: 0.9283784083859372
Energy: 1.2858307352210965
Energy: 0.9283784083866224
Energy: 2.9559569516633157
Energy: 0.9281691538225778
Energy: 1.9816088575151145
Energy: 0.9281691538239482
Energy: 2.9455958447118706
Energy: 0.9262166586392756
Energy: 1.9763090799914786
Energy: 0.9262166586392756
Energy: 2.9463549431850393
Energy: 0.9281464725729074
Energy: 1.9697378921690123
Energy: 0.9281464726037414
Energy: 2.302374303877927
Energy: 0.9278312480397128
Energy: 2.620022790660199
Energy: 0.9278312480362869
Energy: 2.6252759594943296
Energy: 1.0257536306621666
Energy: 1.980502148769598
Energy: 1.025753630660111
Energy: 2.3009128054954537
Energy: 1.0191175053589563
Energy: 2.618320206454956
Energy: 1.0191175053575858
Energy: 2.2984550598375773
Energy: 1.0186000347212265
Energy: 2.9480776476746198
Energy: 1.018600034712319
Energy: 1.9788691891722747
Energy: 0.928025970103375
Energy: 2.639948930419893
Energy: 0.9280259700293735
Energy: 1.6468511731879067
Energy: 0.9262956025232884
Energy: 2.9504526315225283
Energy: 0.9262956025260289
Energy: 1.9711654997871497
Energy: 0.9262946461306076
Energy: 2.9541256761494363
Energy: 0.9262946461011442
Energy: 1.2898851494073773
Energy: 0.9280420412591357
Energy: 2.63151626312634
Energy: 0.9280420412577651
Energy: 1.2924546401345376
Energy: 0.9274870193448931
Energy: 2.9461441227784735
Energy: 0.9274870193483189
Energy: 1.2924926456573151
Energy: 0.9298788750030864
Energy: 2.956369972393275
Energy: 0.9298788750024012
Energy: 0.9328134432863403
Energy: 0.9279072121905534
Energy: 2.9394421836597537
Energy: 0.9279072121919238
Energy: 0.9292670343725764
Energy: 0.9271051871496779
Energy: 2.9463851334234405
Energy: 0.9271051871524186
Energy: 0.9311375868068761
Energy: 0.9284929889337381
Energy: 2.947819381320875
Energy: 0.9284929889303122
Energy: 1.2916485244473146
Energy: 0.9275649629720835
Energy: 2.93791127554811
Energy: 0.9275649629741389
Energy: 1.2904205294581192
Energy: 0.9273361368421659
Energy: 2.943224515298734
Energy: 0.9273361368441592
Energy: 1.2886237953229365
Energy: 0.9277963072797649
Energy: 2.954915733291365
Energy: 0.9277963072667461
Energy: 1.9698413450166015
Energy: 0.9272690203634409
Energy: 2.941583020240764
Energy: 0.9272690203565889
Energy: 1.9777803754142114
Energy: 0.9265846014305883
Energy: 2.9492885819705497
Energy: 0.9265846014278475
Energy: 1.9809625532772515
Energy: 0.9309465359030733
Energy: 2.3100906487905655
Energy: 0.9309465359085548
Energy: 2.6240018232645586
Energy: 1.0184585544917628
Energy: 2.9504456339774934
Energy: 1.018458554489707
Energy: 1.9747152527601148
Energy: 1.0193709195304688
Energy: 2.620142856693535
Energy: 1.019370919524302
Energy: 2.627321047501712
Energy: 1.0260081047181462
Energy: 2.313568762143839
Energy: 1.0260081046845715
Energy: 2.625764726591011
Energy: 0.9281906319187537
Energy: 2.621400545814995
Energy: 0.9281906319146426
Energy: 2.622776502752523
Energy: 0.9288756273728338
Energy: 1.9712295510344935
Energy: 0.9288756273831118
Energy: 2.946176208765009
Energy: 0.9261955570209485
Energy: 1.6468998126455865
Energy: 0.9261955570209485
Energy: 2.630326744716238
Energy: 0.9308507141105656
Energy: 1.9795979162861843
Energy: 0.9308507141050841
Energy: 2.955303286920861
Energy: 0.9281359621026606
Energy: 1.2860040361745362
Energy: 0.9281359621019754
Energy: 2.946941608147643
Energy: 0.9281265903420609
Energy: 1.2865490393045735
Energy: 0.9281265903454868
Energy: 2.9392638586564637
Energy: 0.928108708380367
Energy: 0.9364190597941378
Energy: 0.9281087083796818
Energy: 2.9474790568600007
Energy: 0.9282072778821835
Energy: 0.9304764559699649
Energy: 0.9282072778808131
Energy: 2.9531872222880127
Energy: 0.9290523899138146
Energy: 0.9317821035478465
Energy: 0.9290523899165554

minimum gb energy = 0.9261955570209485 eV
minimum distance =  2.24713200680135 Angstroms
sigma value = 85


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

Energy: 3.3475200088349335
Energy: 0.40797388795978684
Energy: 0.4757416364227202
Energy: 0.40797388823007363
Energy: 3.1688740007146934
Energy: 0.8268015387263076
Energy: 1.144376807545002
Energy: 0.8268015387274963
Energy: 3.1666344508503492
Energy: 0.8266061055108773
Energy: 1.1449314306752976
Energy: 0.8266061055114716
Energy: 2.739694406869964
Energy: 0.8293556441863763
Energy: 1.7503555354395064
Energy: 0.8293556441851877
Energy: 3.1701404187812137
Energy: 0.8257895419803827
Energy: 1.7539292475165642
Energy: 0.8257895419774113
Energy: 2.74710039175933
Energy: 0.8280850247252441
Energy: 1.7504262777960122
Energy: 0.8280850247252441
Energy: 2.742081410144423
Energy: 0.8273725426975171
Energy: 2.3275539865374384
Energy: 0.827372542696923
Energy: 2.8951331168498444
Energy: 0.8263509039822748
Energy: 1.8881670430862634
Energy: 0.8263509039828691
Energy: 2.7446099450350006
Energy: 0.8267081954334259
Energy: 2.3232728306573596
Energy: 0.8267081954078991
Energy: 2.7541210589548317
Energy: 0.9966012411435844
Energy: 2.8844682362913505
Energy: 0.996601241144773
Energy: 2.332439929093354
Energy: 0.8243373709029322
Energy: 2.461497943497822
Energy: 0.8243373708886698
Energy: 2.1776608155375317
Energy: 0.8233184087992778
Energy: 2.884703484651193
Energy: 0.8233184087992778
Energy: 2.325186903050402
Energy: 0.8240592638614093
Energy: 3.0254115843549076
Energy: 0.8240592638625979
Energy: 1.7516206426192433
Energy: 0.823890398396762
Energy: 2.4585658503929366
Energy: 0.8238903983961678
Energy: 1.6016547676938466
Energy: 0.8245169044568945
Energy: 3.034705880244667
Energy: 0.8245169044527346
Energy: 1.7544578322663955
Energy: 0.8228241103413645
Energy: 3.0194954687430546
Energy: 0.8228241103389875
Energy: 1.133978474477382
Energy: 0.8252797511900757
Energy: 3.0191981235712158
Energy: 0.8252797511912643
Energy: 1.1391159893094536
Energy: 0.8220747890967601
Energy: 3.1642572996223173
Energy: 0.8220747890979486
Energy: 1.136871996263636
Energy: 0.8233061540590566
Energy: 3.1622184562150784
Energy: 0.8233061540608394
Energy: 0.9838418699989406
Energy: 0.822347208370142
Energy: 3.1621352592326164
Energy: 0.8223472083713306
Energy: 0.9838897216601372
Energy: 0.8217800279849158
Energy: 3.1621317753346108
Energy: 0.8217800279855101
Energy: 0.9858150346350124
Energy: 0.824275520630858
Energy: 3.156531192897093
Energy: 0.8242755206291023
Energy: 1.302895615293979
Energy: 0.822399155076575
Energy: 3.1587304955812905
Energy: 0.8223991550741978
Energy: 1.3034971683782703
Energy: 0.8214859820813974
Energy: 3.1610668879715558
Energy: 0.821485982080803
Energy: 1.3008518245005505
Energy: 0.8288792831948393
Energy: 2.739612607723843
Energy: 0.828879283196622
Energy: 1.7378894128704898
Energy: 0.8221899327411785
Energy: 3.166220446885769
Energy: 0.8221899327417458
Energy: 1.7405761648673634
Energy: 0.8216907476773548
Energy: 3.169025576830195
Energy: 0.8216907476803263
Energy: 1.7398617600933841
Energy: 0.8256678166419514
Energy: 2.7424164472061565
Energy: 0.8256678166437342
Energy: 2.3251984767557223
Energy: 0.8232453172925606
Energy: 3.1610059333741414
Energy: 0.8232453172919663
Energy: 2.3275013394087942
Energy: 0.8216101352995937
Energy: 2.747775723784224
Energy: 0.8216101353750125
Energy: 2.6149109480324317
Energy: 0.9934372758604929
Energy: 2.1741889476203564
Energy: 0.9934372758569544
Energy: 2.461334675127982
Energy: 0.9952215202992305
Energy: 2.7548829646837234
Energy: 0.9952215225867816
Energy: 2.890958127525606
Energy: 1.147656411921837
Energy: 2.1806782957730313
Energy: 1.14765641191946
Energy: 3.1721828828407754
Energy: 0.8259130749541412
Energy: 2.1820385027747027
Energy: 0.8259130749588954
Energy: 2.458403512629123
Energy: 0.8290682791505175
Energy: 1.7502721265514873
Energy: 0.8290682791505175
Energy: 3.1675167547605736
Energy: 0.8261777669193547
Energy: 1.7524653331918978
Energy: 0.8261777669288632
Energy: 3.1643080897036895
Energy: 0.8281684362874977
Energy: 1.749636362273653
Energy: 0.8281684362821493
Energy: 3.0197118412620028
Energy: 0.8305295399557485
Energy: 1.1479248240296878
Energy: 0.8305295399563428
Energy: 3.1721988607916565
Energy: 0.8262305951457762
Energy: 1.1467686295397854
Energy: 0.826230595143399
Energy: 3.1621082318519114
Energy: 0.8283471480260599
Energy: 1.1487343783514037
Energy: 0.8283471480266542
Energy: 3.0171851061170845
Energy: 0.8290489621593398
Energy: 0.8287501352626291
Energy: 0.8290489621575571
Energy: 3.168843343814146
Energy: 0.8262415747128365
Energy: 0.8271039992319549
Energy: 0.8262415747128365
Energy: 3.163456021538739
Energy: 0.8286243754389266
Energy: 0.828924394540366
Energy: 0.8286243754395209

minimum gb energy = 0.40797388795978684 eV
minimum distance =  2.23979503293467 Angstroms
sigma value = 113


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

Energy: 0.017708888726367573
Energy: 0.019963656802847833
Energy: 2.8458367587428963
Energy: 0.019963656803304683
Energy: 0.018727766490192838
Energy: 0.19755803590629537
Energy: 2.271371459007755
Energy: 0.19755803590764054
Energy: 0.018634388492720894
Energy: 0.19502468794643962
Energy: 2.2769000311862255
Energy: 0.19502468794687108
Energy: 0.02019104832208354
Energy: 0.19820355167323472
Energy: 2.2771571773165213
Energy: 0.1982035516727779
Energy: 2.2785856081349176
Energy: 0.19677229283492706
Energy: 2.285963924454165
Energy: 0.19677229283492706
Energy: 0.018552440630841296
Energy: 0.1944854876019622
Energy: 2.2691844959298244
Energy: 0.19448548760241904

minimum gb energy = 0.017708888726367573 eV
minimum distance =  2.47896003205988 Angstroms
sigma value = 1