Model name: model_name=EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614728152751923
cohesive_energy=3.524844861148951
mass=63.546
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=[6.65502517171116e-20, 1.313270541180486e-19, 2.0094018690637798e-19, 2.71466400158424e-19, 3.3741679694376595e-19, 3.9195168521185796e-19, 4.2979189295366997e-19, 4.532749958782079e-19, 4.66800571022436e-19, 4.75833642884928e-19, 4.86529774093512e-19, 4.98799242756684e-19, 5.11180863784236e-19, 5.223240022737059e-19, 5.311551998803139e-19, 5.387431084189379e-19, 5.452287194333699e-19, 5.50663302575898e-19, 5.551157514417839e-19, 5.586725835692639e-19, 5.61367444667652e-19, 5.632371847995299e-19, 5.64337880147088e-19, 5.64698369889738e-19, 5.643090409676759e-19, 5.632451956826999e-19, 5.609861266287599e-19, 5.57506198979712e-19, 5.52577903653528e-19, 5.45922461915892e-19, 5.37203416673664e-19, 5.260058041786379e-19, 5.11824938791104e-19, 4.94064810803214e-19, 4.718970948951899e-19, 4.44373302499704e-19, 4.10258155431942e-19, 3.67976714060682e-19, 3.1566564696058198e-19, 2.50384960008252e-19, 1.68766877919024e-19, 6.62174796302298e-20, -6.3835523628462e-20, -2.3019753441985197e-19, -4.453394150100059e-19, -7.276493466273419e-19, -1.10449250618058e-18, -1.6175895732190799e-18, -2.33515642228866e-18, -3.3707713549735797e-18, -4.928711892108839e-18, -7.4034980080506e-18, -1.1641223161447919e-17, -1.9738175260226397e-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: 0.013595850807323265
Energy: 0.11665644906840303
Energy: 0.7023554178220164
Energy: 0.014036361405610636
Energy: 0.11665644906840303
Energy: 0.8206162160050113
Energy: 0.014036361406237947
Energy: 0.8206162160056039
Energy: 0.7023554178220164
Energy: 0.014036361405610636
Energy: 0.013595850807323265
Energy: 0.11665644906840303
Energy: 0.014036361405610636
Energy: 0.8206162160062311
Energy: 0.11665644906840303
Energy: 0.8206162160050113

minimum gb energy = 0.013595850807323265 eV
minimum distance =  2.46108350960115 Angstroms
sigma value = 1


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

Energy: 1.195252671042911
Energy: 0.7950762787836192
Energy: 0.7971759336567584
Energy: 0.74717607657778
Energy: 0.7714356346372377
Energy: 0.8195914819761865
Energy: 0.7716617865695676
Energy: 0.819591481977708
Energy: 0.7965015691631497
Energy: 0.7954594429615987
Energy: 0.7706055995946879
Energy: 0.7954594429608379
Energy: 0.7719129504707098
Energy: 0.7715019135693725
Energy: 0.7714573229224254
Energy: 0.7715019135693725
Energy: 0.8153029921548725
Energy: 0.7706840792233817
Energy: 0.7724736446579434
Energy: 0.7706840792226208
Energy: 0.7717753699985601
Energy: 0.8705669487161236
Energy: 0.7722696984424655
Energy: 0.8705669487168843
Energy: 0.8169346346674817
Energy: 0.8397259052281589
Energy: 0.814265883582956
Energy: 0.8397259052258765
Energy: 0.8168397744705005
Energy: 0.8611430922387568
Energy: 0.7893426501464064
Energy: 0.8611430922379961
Energy: 0.8273644201819806
Energy: 0.873935294687281
Energy: 0.8304733894056004
Energy: 0.873935294687281
Energy: 0.8320909256445805
Energy: 0.8636077966664952
Energy: 0.8288160878701452
Energy: 0.8636077966657345
Energy: 0.8258029215676393
Energy: 0.8734179527997249
Energy: 0.8284058022015093
Energy: 0.8734179527982033
Energy: 0.817452092582184
Energy: 0.8719715789223844
Energy: 0.7931657614410292
Energy: 0.8719715789223844
Energy: 0.8187373737120525
Energy: 0.8395015098404661
Energy: 0.7973157169496035
Energy: 0.8395015098412268
Energy: 0.772736453620164
Energy: 0.8406998615273055
Energy: 0.8142911309647864
Energy: 0.8406998615288273
Energy: 0.795991793791988
Energy: 0.7696879020812034
Energy: 0.7696898741485962
Energy: 0.7696879020812034
Energy: 0.7439573052143995
Energy: 0.7715008046363261
Energy: 0.7712265295107495
Energy: 0.7715008046370869
Energy: 0.7953305895276742
Energy: 0.7958488479426151
Energy: 0.7430511509471767
Energy: 0.7958488479441366
Energy: 0.7716437672570233
Energy: 0.771003085169014
Energy: 0.796252713584389
Energy: 0.7710030851674923
Energy: 0.7718973809811001
Energy: 0.7954208216528591
Energy: 0.7993485180490593
Energy: 0.7954208216551415
Energy: 0.7708908291893
Energy: 0.7715129322561053
Energy: 0.7716039778784579
Energy: 0.7715129322576268
Energy: 0.7748270053661368
Energy: 0.7727897125412068
Energy: 0.8151691314963261
Energy: 0.7727897125404459
Energy: 0.7721532985896132
Energy: 0.7712997414946932
Energy: 0.7716966741871575
Energy: 0.771299741495454
Energy: 0.8149013308445205
Energy: 0.8412061471373729
Energy: 0.816054740476444
Energy: 0.8412061471373729
Energy: 0.7897273688162362
Energy: 0.840501643903758
Energy: 0.8182336067629787
Energy: 0.840501643903758
Energy: 0.8302638271697496
Energy: 0.8747249174391483
Energy: 0.8271374267236434
Energy: 0.8747249174399091
Energy: 0.8327099810092425
Energy: 0.8712058875910008
Energy: 0.833736627889201
Energy: 0.8712058875910008
Energy: 0.8280444873479428
Energy: 0.8731641229535609
Energy: 0.8264247241038156
Energy: 0.8731641229558434
Energy: 0.7911377289201549
Energy: 0.872075994567294
Energy: 0.8303177539472092
Energy: 0.8720759945680548
Energy: 0.7976933352014067
Energy: 0.8393955137273462
Energy: 0.8449155425386244
Energy: 0.8393955137273462
Energy: 0.8140213440603355
Energy: 0.8425188123611891
Energy: 0.7725601790957217
Energy: 0.8425188123619499
Energy: 0.7692141006458105
Energy: 0.7695750938711428
Energy: 0.7963378554793809
Energy: 0.7695750938711428
Energy: 0.7711960133852389
Energy: 0.7708678918105798
Energy: 0.7439369074634217
Energy: 0.7708678918113405
Energy: 0.7428655920982127
Energy: 0.77183289676097
Energy: 0.7971078487815929
Energy: 0.7718328967586876

minimum gb energy = 0.7428655920982127 eV
minimum distance =  2.27498287713901 Angstroms
sigma value = 1


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

Energy: 1.3467170420787884
Energy: 0.841486474563966
Energy: 0.8428893538784142
Energy: 0.7862643806283409
Energy: 0.816043766720583
Energy: 0.865635454494688
Energy: 0.8163377738182205
Energy: 0.865635454494688
Energy: 0.8412354491738808
Energy: 0.8419216065387434
Energy: 0.8168862281229317
Energy: 0.841921606537876
Energy: 0.8167002470426624
Energy: 0.8148258752943581
Energy: 0.8160282960113495
Energy: 0.8148258752960931
Energy: 0.8155200465225267
Energy: 0.8153316792987745
Energy: 0.8148928287262542
Energy: 0.8153316792961721
Energy: 0.8177176815387227
Energy: 0.9257133705302569
Energy: 0.8172832859171568
Energy: 0.9257133705311245
Energy: 0.8698965179485862
Energy: 0.8957558416284058
Energy: 0.8655706092614002
Energy: 0.8957558416275384
Energy: 0.8666391801914337
Energy: 0.8979865647994927
Energy: 0.8388710660528602
Energy: 0.8979865647968904
Energy: 0.8664974566462237
Energy: 0.9274001496757475
Energy: 0.8755191233576289
Energy: 0.9274001496783498
Energy: 0.8368874506276325
Energy: 0.9271767039077408
Energy: 0.8687226233637755
Energy: 0.9271767039042711
Energy: 0.8487046263817583
Energy: 0.895757946661027
Energy: 0.872217006957402
Energy: 0.8957579466636293
Energy: 0.8652091695607187
Energy: 0.8973690654425736
Energy: 0.8183673927807381
Energy: 0.8973690654434411
Energy: 0.8149640949099792
Energy: 0.8146485839688362
Energy: 0.8463571026542892
Energy: 0.8146485839688362
Energy: 0.8156547302139774
Energy: 0.8162261641746325
Energy: 0.7815185203472073
Energy: 0.8162261641754999
Energy: 0.7814276689142312
Energy: 0.8408846246173468
Energy: 0.8416697907521182
Energy: 0.8408846246182142
Energy: 0.8479718280630122
Energy: 0.8153832777329431
Energy: 0.8161945888919618
Energy: 0.815383277734678
Energy: 0.8411380324887541
Energy: 0.8412976411658724
Energy: 0.8156365926528107
Energy: 0.8412976411667399
Energy: 0.8165120059380423
Energy: 0.814979960648865
Energy: 0.8160493007681446
Energy: 0.814979960648865
Energy: 0.8150209012527905
Energy: 0.8175507911814648
Energy: 0.8165202911889919
Energy: 0.8175507911805974
Energy: 0.8168766545086321
Energy: 0.8165165203756888
Energy: 0.8176503468823931
Energy: 0.8165165203748214
Energy: 0.8672448556883185
Energy: 0.8972411651943645
Energy: 0.8654211292679331
Energy: 0.8972411651926295
Energy: 0.8654149661604675
Energy: 0.8961697983098741
Energy: 0.8358854328442793
Energy: 0.8961697983081393
Energy: 0.8669214086795916
Energy: 0.9275256782382413
Energy: 0.8762177069407117
Energy: 0.9275256782373739
Energy: 0.8357130196195779
Energy: 0.9261256466235015
Energy: 0.8808605853188378
Energy: 0.9261256466243689
Energy: 0.8475873126772994
Energy: 0.8961438115156952
Energy: 0.9079743202705199
Energy: 0.8961438115165626
Energy: 0.8650235602495451
Energy: 0.8954940562179012
Energy: 0.818619658535184
Energy: 0.8954940562179012
Energy: 0.8142914851994202
Energy: 0.814895841774455
Energy: 0.8464891461648493
Energy: 0.814895841774455
Energy: 0.8163247653972623
Energy: 0.8160393795583228
Energy: 0.7814979096016933
Energy: 0.8160393795557206
Energy: 0.781634821741767
Energy: 0.8170620895736191
Energy: 0.8430186090094495
Energy: 0.8170620895701495

minimum gb energy = 0.7814276689142312 eV
minimum distance =  2.27416010557723 Angstroms
sigma value = 25


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

Energy: 1.2915153217845299
Energy: 0.8931171061479539
Energy: 0.8928923589903718
Energy: 0.8292394018954505
Energy: 0.8682070558613129
Energy: 0.9156850120652399
Energy: 0.8679485573774598
Energy: 0.9156850120652399
Energy: 0.8920251670796931
Energy: 0.8928572957803278
Energy: 0.8664191383087385
Energy: 0.8928572957803278
Energy: 0.8681363147074722
Energy: 0.8689127009488408
Energy: 0.867982932139942
Energy: 0.8689127009488408
Energy: 0.8670811825969401
Energy: 0.8671913623915234
Energy: 0.8670483852017976
Energy: 0.8671913623915234
Energy: 0.8674927415556442
Energy: 0.8696904768385708
Energy: 0.8669004639669297
Energy: 0.8696904768385708
Energy: 0.9191328659513878
Energy: 0.9653241589784164
Energy: 0.9169974091228226
Energy: 0.9653241589784164
Energy: 0.9183046348366534
Energy: 0.9641293908375217
Energy: 0.8381556850648685
Energy: 0.9641293908375217
Energy: 0.9191764830404145
Energy: 0.9636786415159703
Energy: 0.9086585838922986
Energy: 0.9636786415159703
Energy: 0.8675313681854074
Energy: 0.9640228891523306
Energy: 0.867634616222134
Energy: 0.9640228891513223
Energy: 0.8230939893414234
Energy: 0.8667046139158701
Energy: 0.867326149842116
Energy: 0.8667046139138532
Energy: 0.8235123875834981
Energy: 0.8671383603552573
Energy: 0.8675115272130849
Energy: 0.8671383603562657
Energy: 0.8938369576256561
Energy: 0.8929191056963203
Energy: 0.8232105659871468
Energy: 0.8929191056983371
Energy: 0.8680916350273135
Energy: 0.8685751229139035
Energy: 0.9090663638490731
Energy: 0.8685751229139035
Energy: 0.8663404646620085
Energy: 0.8940644363758075
Energy: 0.8939592038654499
Energy: 0.8940644363758075
Energy: 0.8670058816953585
Energy: 0.867425035862234
Energy: 0.8678189538143906
Energy: 0.867425035862234
Energy: 0.8699529495329905
Energy: 0.8690547430592818
Energy: 0.8670736883084863
Energy: 0.8690547430592818
Energy: 0.8699003559017567
Energy: 0.8671208573355551
Energy: 0.8676671933696365
Energy: 0.8671208573365635
Energy: 0.9170461047014161
Energy: 0.9656002696172863
Energy: 0.9213414552576804
Energy: 0.9656002696172863
Energy: 0.838797059113082
Energy: 0.9641661048700204
Energy: 0.9286001703565653
Energy: 0.9641661048700204
Energy: 0.908001197427801
Energy: 0.9635897156187554
Energy: 0.9195572776090866
Energy: 0.9635897156187554
Energy: 0.9086658627423734
Energy: 0.9636367287683456
Energy: 0.8690963458703242
Energy: 0.9636367287683456
Energy: 0.8668371171181929
Energy: 0.8670815341645549
Energy: 0.8236022858310923
Energy: 0.8670815341655632
Energy: 0.8667835528087404
Energy: 0.8673291797670266
Energy: 0.8234300175098793
Energy: 0.8673291797670266
Energy: 0.8233598920286342
Energy: 0.8677843861265525
Energy: 0.8958244918247709
Energy: 0.8677843861265525

minimum gb energy = 0.8230939893414234 eV
minimum distance =  2.2780218313864 Angstroms
sigma value = 9


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

Energy: 1.2071951329977837
Energy: 0.9511588200775306
Energy: 0.9514649580910443
Energy: 0.8766738840664561
Energy: 0.9303777448119205
Energy: 0.9653657375476543
Energy: 0.929822654881031
Energy: 0.9653657375440456
Energy: 0.9509126194634784
Energy: 0.9507397137217816
Energy: 0.9500279312914505
Energy: 0.9507397137205787
Energy: 0.923085308513599
Energy: 0.9665679659046268
Energy: 0.9301674516650053
Energy: 0.9665679659046268
Energy: 0.9256204603243102
Energy: 0.9305955066889207
Energy: 0.9272783678298734
Energy: 0.9305955066889207
Energy: 0.9255349003917459
Energy: 0.93001454533786
Energy: 0.9323050172689807
Energy: 0.9300145453354541
Energy: 0.981242060208854
Energy: 1.0477047287838863
Energy: 0.929957855323899
Energy: 1.0477047287814805
Energy: 0.9307269045633029
Energy: 1.0425562924696299
Energy: 0.9324209110138121
Energy: 1.0425562924660212
Energy: 0.9271701380546807
Energy: 0.9294763878838606
Energy: 0.8672806976107094
Energy: 0.9294763878814547
Energy: 0.9305723980668618
Energy: 0.9305080390837411
Energy: 0.8677664165523357
Energy: 0.9305080390849442
Energy: 0.8667198418801497
Energy: 0.9512806676791236
Energy: 0.9500332672182625
Energy: 0.9512806676803265
Energy: 0.973420286327694
Energy: 0.924247847832165
Energy: 0.9337805171625192
Energy: 0.924247847830962
Energy: 0.9531249356847116
Energy: 0.9504732807071068
Energy: 0.9665583380099659
Energy: 0.9504732807083098
Energy: 0.9510575243741528
Energy: 0.9295977402196756
Energy: 0.950073846994405
Energy: 0.9295977402208785
Energy: 0.9258944630284631
Energy: 0.9217740581123118
Energy: 0.9292728541395774
Energy: 0.9217740581147177
Energy: 0.9259075709327262
Energy: 0.9310211277885195
Energy: 0.9288875087337652
Energy: 0.9310211277885195
Energy: 0.9768978322201975
Energy: 1.0480165109571564
Energy: 0.9288974965482639
Energy: 1.0480165109571564
Energy: 0.9744091094529173
Energy: 1.0471363568561864
Energy: 0.9305587721977209
Energy: 1.0471363568573895
Energy: 0.9272462486397027
Energy: 0.9297261621961407
Energy: 0.8671563101426994
Energy: 0.9297261621889231
Energy: 0.929507882315086
Energy: 0.9300723097195802
Energy: 0.8676902758043232
Energy: 0.9300723097207833
Energy: 0.8665628598111543
Energy: 0.9224467704501871
Energy: 0.9534900896551548
Energy: 0.9224467704537959

minimum gb energy = 0.8665628598111543 eV
minimum distance =  2.30660589151764 Angstroms
sigma value = 25


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

Energy: 1.0839065215081953
Energy: 1.0184873578459777
Energy: 1.0195056973346581
Energy: 0.9242743264020661
Energy: 1.0370000303237843
Energy: 0.9870368682794314
Energy: 0.9449832361292643
Energy: 0.9870368682794314
Energy: 1.0175924041747488
Energy: 1.0185002418552098
Energy: 1.0165739614738056
Energy: 1.0185002418552098
Energy: 1.0180611139463849
Energy: 0.9877026593826763
Energy: 0.9403880668048274
Energy: 0.9877026593826763
Energy: 0.9384791919880199
Energy: 0.9420112660560452
Energy: 0.9444563314791644
Energy: 0.9420112660545575
Energy: 0.9170949284291584
Energy: 1.0439438251936963
Energy: 0.938892481506356
Energy: 1.0439438251936963
Energy: 0.9135955693576393
Energy: 0.9407898358810257
Energy: 0.9416618670676798
Energy: 0.9407898358810257
Energy: 0.9137843326842294
Energy: 0.9933836395235915
Energy: 0.9435277408454135
Energy: 0.9933836395250791
Energy: 1.0169129715581877
Energy: 1.0188613343991952
Energy: 1.1189445718382829
Energy: 1.0188613343991952
Energy: 1.0393978426762036
Energy: 0.9195185077635947
Energy: 1.0137823704470657
Energy: 0.9195185077635947
Energy: 1.0161447977640843
Energy: 1.0177940698242212
Energy: 1.0218886024387377
Energy: 1.0177940698242212
Energy: 1.0168483360296567
Energy: 0.990578904869886
Energy: 1.017685561337007
Energy: 0.990578904869886
Energy: 0.9395992055762298
Energy: 1.0457991864687073
Energy: 0.9380767479337633
Energy: 1.0457991864687073
Energy: 0.9435213047537856
Energy: 0.9418226638111934
Energy: 0.9195022995655471
Energy: 0.9418226638111934
Energy: 1.003876137193379
Energy: 1.0058814040210566
Energy: 0.9137797569254124
Energy: 1.0058814040225443
Energy: 0.9396998914091583
Energy: 0.9413212355676488
Energy: 0.9141842115273654
Energy: 0.9413212355735994
Energy: 1.111054155874954
Energy: 0.9182165827087667
Energy: 1.0210490894855555
Energy: 0.9182165827087667

minimum gb energy = 0.9135955693576393 eV
minimum distance =  2.33397459621263 Angstroms
sigma value = 17


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

Energy: 1.461347253516826
Energy: 1.1125391489718646
Energy: 1.1111998426975074
Energy: 1.0529884680872055
Energy: 0.9598413216050065
Energy: 0.9948303293885811
Energy: 1.0593731219835711
Energy: 0.9948303293877384
Energy: 0.9949494421208559
Energy: 0.9950671807701079
Energy: 1.111065359911243
Energy: 0.9950671807701079
Energy: 0.9953109580799631
Energy: 1.0511965843861077
Energy: 0.9916076956722724
Energy: 1.0511965843869504
Energy: 0.9944444274477113
Energy: 1.0440430561463387
Energy: 0.942193046918822
Energy: 1.044043056140441
Energy: 0.9938028044389512
Energy: 1.0465872856549767
Energy: 0.9940548886970063
Energy: 1.0465872856549767
Energy: 1.0419624487026409
Energy: 0.992722138277694
Energy: 0.9952368495984623
Energy: 0.9927221382802216
Energy: 1.170864907521148
Energy: 0.9945522760983977
Energy: 0.9617915718466609
Energy: 0.9945522760992402
Energy: 1.1165461671538206
Energy: 1.1111167812876628
Energy: 1.1124039282525886
Energy: 1.1111167812885052
Energy: 1.1184959762021975
Energy: 1.0550124777057526
Energy: 1.059477720325148
Energy: 1.055012477706595
Energy: 0.9921912713452039
Energy: 0.963413252194957
Energy: 0.9573077895077278
Energy: 0.963413252194957
Energy: 1.1268213433816758
Energy: 0.9605555467744942
Energy: 0.962743239679867
Energy: 0.9605555467711623
Energy: 1.0427237969410585
Energy: 0.9903536759777992
Energy: 0.9878838918649454
Energy: 0.9903536759777992
Energy: 1.0424331421916222
Energy: 0.9887000771757238
Energy: 0.9584895134065295
Energy: 0.9887000771748813
Energy: 1.115978047422762
Energy: 1.0449599555836115
Energy: 1.1717423923660446
Energy: 1.0449599555844542
Energy: 1.1221692743745473
Energy: 1.1118896828158438
Energy: 1.1721536150126084
Energy: 1.1118896828166864
Energy: 1.114633651722406
Energy: 0.9933028715218024
Energy: 0.9941792746416847
Energy: 0.9933028715234874
Energy: 1.1128623281599042
Energy: 0.9933450978110607
Energy: 0.9932548320648268
Energy: 0.9933450978119032
Energy: 0.9950755029865835
Energy: 1.0780534714459242
Energy: 0.994224005574346
Energy: 1.0780534714459242
Energy: 1.034236304753268
Energy: 1.048567749457075
Energy: 0.9947493454448713
Energy: 1.0485677494562327
Energy: 0.9969048628260676
Energy: 0.9947103440118011
Energy: 1.141675789908849
Energy: 0.9947103440134479
Energy: 0.9950269331377662
Energy: 0.9948910800561458
Energy: 1.0427577748265588
Energy: 0.9948910800553032
Energy: 1.0586835909710381
Energy: 1.054575606350872
Energy: 1.0608634885496897
Energy: 1.0545756063500293
Energy: 1.112873105389414
Energy: 1.1112918872151287
Energy: 1.1116773945482274
Energy: 1.1112918872168134
Energy: 0.9644637468664691
Energy: 0.9900520405058818
Energy: 1.1115830297222857
Energy: 0.9900520405058818
Energy: 0.9623404169360242
Energy: 0.9622967258139294
Energy: 0.9921856303409332
Energy: 0.962296725814772
Energy: 0.9572463823836288
Energy: 0.9614395720988912
Energy: 1.0429987860445642
Energy: 0.9614395720980485
Energy: 0.9632784602784561
Energy: 0.9612167519715759
Energy: 1.0427668082839565
Energy: 0.9612167519715759
Energy: 0.9610649866351207
Energy: 0.9603769182671078
Energy: 1.0436029717424742
Energy: 0.9603769182687929
Energy: 1.1725057924298297
Energy: 1.110715323278905
Energy: 1.1131087105314195
Energy: 1.110715323278905

minimum gb energy = 0.942193046918822 eV
minimum distance =  2.30229841683128 Angstroms
sigma value = 53


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

Energy: 1.335951358284395
Energy: 1.056654874524152
Energy: 1.057411569663376
Energy: 0.9177671903529218
Energy: 1.0506629281941833
Energy: 0.9688632580843346
Energy: 1.0513567662116259
Energy: 0.9688632580843346
Energy: 1.0551574601270588
Energy: 1.054398696467197
Energy: 1.052007308389577
Energy: 1.0543986964691365
Energy: 1.0535872782091837
Energy: 0.9696582188197654
Energy: 1.0501376803543843
Energy: 0.9696582188197654
Energy: 1.0633458930061315
Energy: 0.9684775757735089
Energy: 0.9093854619307595
Energy: 0.9684775757754486
Energy: 1.0509499999175058
Energy: 0.9722894823572718
Energy: 0.9197453971767404
Energy: 0.9722894823592113
Energy: 1.1826966588506194
Energy: 1.0516788925804688
Energy: 1.0511098765479985
Energy: 1.0516788925824083
Energy: 1.182927020522627
Energy: 0.9727592606958874
Energy: 1.049566385859834
Energy: 0.9727592606920081
Energy: 1.0542759737907603
Energy: 1.053119705124123
Energy: 1.0549279633854145
Energy: 1.053119705124123
Energy: 1.0500056360381522
Energy: 0.9715609169324273
Energy: 1.0525509506882536
Energy: 0.9715609169324273
Energy: 1.0642794533282498
Energy: 0.9745348096921177
Energy: 0.918982857122965
Energy: 0.9745348096940574
Energy: 1.0537589080495056
Energy: 0.9686794220947629
Energy: 0.905743936149244
Energy: 0.9686794220947629
Energy: 1.1829385977274893
Energy: 1.0524637488327828
Energy: 1.04898983749568
Energy: 1.0524637488327828

minimum gb energy = 0.905743936149244 eV
minimum distance =  2.31909732260473 Angstroms
sigma value = 9


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

Energy: 1.295027084947437
Energy: 1.165512766478558
Energy: 1.168910705361279
Energy: 1.0835798871324422
Energy: 0.9784751997199793
Energy: 0.9776883686366735
Energy: 1.1619172878002886
Energy: 0.9776883686366735
Energy: 0.9850440481078122
Energy: 0.980845261433406
Energy: 1.1474736600831967
Energy: 0.9808452614326882
Energy: 0.9824541102205875
Energy: 0.979730285281397
Energy: 1.2226360129725091
Energy: 0.9797302852821149
Energy: 0.9782677591465306
Energy: 0.977241446365798
Energy: 1.2220136286731802
Energy: 0.9772414463665159
Energy: 0.9765727015619027
Energy: 0.9775462229930267
Energy: 1.2299476358478436
Energy: 0.9775462229930267
Energy: 1.1659864757771123
Energy: 1.1489387487352383
Energy: 1.160860674159295
Energy: 1.1489387487345204
Energy: 1.1594926797952412
Energy: 1.1487665348468883
Energy: 1.1484831483253284
Energy: 1.148766534847606
Energy: 1.0263476195396664
Energy: 1.0934294160395452
Energy: 1.0480568092697573
Energy: 1.093429416040981
Energy: 0.9772480394022479
Energy: 1.0554265948290733
Energy: 1.1517103581144925
Energy: 1.0554265948290733
Energy: 1.0225008373553233
Energy: 1.024285974294658
Energy: 1.0737232750161798
Energy: 1.0242859742968116
Energy: 1.0342919871886276
Energy: 1.025581966086062
Energy: 1.222552421975865
Energy: 1.0255819660867798
Energy: 1.1596727499109192
Energy: 1.0244140842980323
Energy: 1.039051635856554
Energy: 1.0244140842980323
Energy: 1.1654473233701534
Energy: 1.0243562767138035
Energy: 1.0262712493284085
Energy: 1.0243562767138035
Energy: 1.1489443942009567
Energy: 1.040305531902561
Energy: 1.0322422709137573
Energy: 1.0403055319018428
Energy: 1.072341342451077
Energy: 1.0954334801957542
Energy: 1.0327469623726575
Energy: 1.0954334801986259
Energy: 1.1527416947044957
Energy: 1.0767152004203127
Energy: 1.0256473780433333
Energy: 1.076715200418877
Energy: 1.149903660710906
Energy: 1.1503833519177966
Energy: 1.2924932184241091
Energy: 1.1503833519177966
Energy: 1.1636216208100532
Energy: 0.9777467203804256
Energy: 1.0281021985576533
Energy: 0.9777467203789898
Energy: 1.210641770109871
Energy: 0.9833420532055415
Energy: 0.9854847982666461
Energy: 0.98334205320267
Energy: 1.1628435199697504
Energy: 0.9786561073912287
Energy: 0.9801907563681668
Energy: 0.9786561073919466
Energy: 1.2306271057362137
Energy: 0.9765999402198321
Energy: 0.9769107919778963
Energy: 0.9765999402212678
Energy: 1.2218019127134192
Energy: 0.9779878714851821
Energy: 0.9764054289262984
Energy: 0.9779878714844642
Energy: 1.1622301967149478
Energy: 1.1486822971276458
Energy: 1.1606992779227732
Energy: 1.148682297128364
Energy: 1.1484375408377965
Energy: 1.1486876730799822
Energy: 1.1624804919812357
Energy: 1.1486876730799822
Energy: 1.0345649742000074
Energy: 1.1646293561521295
Energy: 1.024513113721201
Energy: 1.1646293561499756
Energy: 1.1505827822995633
Energy: 1.0564151476908965
Energy: 0.9771799104912353
Energy: 1.0564151476916146
Energy: 1.0728753041758934
Energy: 1.0246649663889822
Energy: 1.0235428403765334
Energy: 1.0246649663889822
Energy: 1.2240375084232842
Energy: 1.0318123628425238
Energy: 1.0334428478837256
Energy: 1.0318123628425238
Energy: 1.0402484647001382
Energy: 1.024300195766649
Energy: 1.1594522440215091
Energy: 1.0243001957659315
Energy: 1.0286127954912345
Energy: 1.0252325087716736
Energy: 1.1476883998853715
Energy: 1.0252325087723917
Energy: 1.0290882852631151
Energy: 1.0315851592538414
Energy: 1.1496236456466657
Energy: 1.0315851592531236
Energy: 1.0337450610527483
Energy: 1.0986342726535778
Energy: 1.0728229310811652
Energy: 1.0986342726542957
Energy: 1.0248461135874947
Energy: 1.080219981985994
Energy: 1.078286439135969
Energy: 1.080219981986712
Energy: 1.2244058626534686
Energy: 1.1500427574582908
Energy: 1.1538912759231383
Energy: 1.1500427574568548

minimum gb energy = 0.9764054289262984 eV
minimum distance =  2.29191760847282 Angstroms
sigma value = 73


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

Energy: 1.3761124723461462
Energy: 1.126536697505744
Energy: 1.1263290300118136
Energy: 1.0355085512410729
Energy: 0.9958459487943484
Energy: 0.9907194244252773
Energy: 1.1008919079443187
Energy: 0.9907194244264163
Energy: 0.9956502413880219
Energy: 0.9951966303834732
Energy: 1.135599743871022
Energy: 0.9951966303846121
Energy: 0.9916479135446363
Energy: 0.9930678696375879
Energy: 1.205901940130389
Energy: 0.9930678696375879
Energy: 0.9928816900614998
Energy: 0.9938780497102397
Energy: 1.2054134703626969
Energy: 0.9938780497102397
Energy: 1.0539817000261804
Energy: 0.9937543981916059
Energy: 1.2089637518974687
Energy: 0.9937543981916059
Energy: 1.1028676668674553
Energy: 1.130964146119425
Energy: 1.1471547200754757
Energy: 1.130964146119425
Energy: 1.0477019508892833
Energy: 1.1307589671381948
Energy: 1.1309763407654252
Energy: 1.1307589671381948
Energy: 1.0340443608509524
Energy: 1.0997596876026061
Energy: 1.1332272482484345
Energy: 1.0997596876003282
Energy: 1.0429167036671252
Energy: 1.0281114730307013
Energy: 1.1305713633029053
Energy: 1.0281114730307013
Energy: 1.0355305113187545
Energy: 0.9733980159579803
Energy: 1.0266732323740646
Energy: 0.9733980159579803
Energy: 1.0305565592187158
Energy: 0.9764077901656031
Energy: 1.1907104136115654
Energy: 0.976407790164464
Energy: 1.1373199764704889
Energy: 1.044102489997239
Energy: 1.0249216489242812
Energy: 1.044102489998378
Energy: 1.1334917432659453
Energy: 1.030604494033529
Energy: 1.0271028390720451
Energy: 1.0306044940346681
Energy: 1.1490599761574172
Energy: 1.0283670081830476
Energy: 1.0262808035178217
Energy: 1.0283670081853256
Energy: 1.2054528504164341
Energy: 1.0262167727087894
Energy: 1.02595560142797
Energy: 1.0262167727099285
Energy: 1.2064201956838405
Energy: 1.0260716412315192
Energy: 1.027382934460242
Energy: 1.0260716412326583
Energy: 1.10505531866472
Energy: 1.1087971051222987
Energy: 1.1028838481838854
Energy: 1.1087971051211598
Energy: 1.0993454706564003
Energy: 1.0610591757954233
Energy: 1.100645171486143
Energy: 1.0610591757954233
Energy: 1.1148572648540052
Energy: 1.060249479794795
Energy: 1.0986963335553408
Energy: 1.060249479794795
Energy: 1.099630701727191
Energy: 1.0625518688361442
Energy: 1.0358591697034099
Energy: 1.0625518688361442
Energy: 1.2079686421331257
Energy: 1.095441561459458
Energy: 1.096073548487491
Energy: 1.095441561458319

minimum gb energy = 0.9733980159579803 eV
minimum distance =  2.28577605474174 Angstroms
sigma value = 7


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

Energy: 1.592020904983499
Energy: 1.1311692030448355
Energy: 1.1314207443521869
Energy: 1.0031203815350027
Energy: 0.9952335747736575
Energy: 1.0588758322984317
Energy: 1.0947240460900454
Energy: 1.0588758323024587
Energy: 0.9939575135303158
Energy: 0.995514596582584
Energy: 1.090126505669645
Energy: 0.9955145965793626
Energy: 0.9940444291882519
Energy: 0.9944248452283613
Energy: 1.1944394879480507
Energy: 0.994424845229972
Energy: 0.9935575739175903
Energy: 0.9938219571678513
Energy: 1.1677922173851192
Energy: 0.9938219571662404
Energy: 0.9946549280397138
Energy: 0.9942496526893013
Energy: 1.1661455717169245
Energy: 0.994249652688496
Energy: 1.0884959085160415
Energy: 0.9938966296776777
Energy: 0.9942654869609349
Energy: 0.9938966296728453
Energy: 1.0895102058969435
Energy: 0.9951311067045624
Energy: 0.9936765908037819
Energy: 0.9951311067134219
Energy: 1.1940878669669253
Energy: 0.9938563907028106
Energy: 0.9931330240852008
Energy: 0.9938563907092538
Energy: 1.1814074433181287
Energy: 0.9948130779179266
Energy: 0.9944022316188882
Energy: 0.9948130779179266
Energy: 1.094521061512208
Energy: 1.0883987612089736
Energy: 0.9959891211174128
Energy: 1.0883987612065575
Energy: 1.0936734751300943
Energy: 1.0871282472429324
Energy: 1.0904982462910822
Energy: 1.0871282472437376
Energy: 1.0864307280497296
Energy: 1.0554618052028044
Energy: 1.0922153198043523
Energy: 1.055461805206026
Energy: 1.0884577945512317
Energy: 1.0517781034067246
Energy: 1.0022309238810503
Energy: 1.051778103405114
Energy: 1.0911675987168474
Energy: 1.0539607116787604
Energy: 1.0022343264197418
Energy: 1.0539607116795657
Energy: 1.0024923904829492
Energy: 1.0872557241153067
Energy: 1.086869346573146
Energy: 1.0872557241104743
Energy: 1.0001392580931316
Energy: 1.0883540449254667
Energy: 1.0961457749175016
Energy: 1.0883540449254667
Energy: 0.9942408581529756
Energy: 0.999936601672139
Energy: 1.091268622516214
Energy: 0.9999366016705281
Energy: 0.9937707964315453
Energy: 0.99444767643863
Energy: 1.0937609206853578
Energy: 0.994447676434603
Energy: 0.9933440380524751
Energy: 0.9945917795606365
Energy: 1.002946333928127
Energy: 0.9945917795590256
Energy: 0.9938847084591724
Energy: 0.9937969742609838
Energy: 1.172679241784238
Energy: 0.9937969742593732
Energy: 1.0883851543721794
Energy: 0.994708231909403
Energy: 0.9945957502383074
Energy: 0.9947082319102085
Energy: 1.0882276242600424
Energy: 0.9936761852452634
Energy: 0.9935195767286018
Energy: 0.9936761852468742
Energy: 1.1935119903286815
Energy: 0.9941591846406378
Energy: 0.9936692170882946
Energy: 0.9941591846438594
Energy: 1.1783562048000782
Energy: 0.9955584112137683
Energy: 0.9943788426376718
Energy: 0.9955584112169897
Energy: 1.1672457281350956
Energy: 1.128209437212156
Energy: 0.9949962744313444
Energy: 1.1282094372145723
Energy: 1.1307691952551
Energy: 1.0917793671717477
Energy: 1.3855386085569072
Energy: 1.0917793671741638
Energy: 1.0868681755891818
Energy: 1.0959474921884558
Energy: 1.0863938829167163
Energy: 1.0959474921900667
Energy: 1.0913652123833517
Energy: 1.0521827772364416
Energy: 1.0878480230027252
Energy: 1.0521827772340255
Energy: 1.0885791581252957
Energy: 1.055490946022114
Energy: 1.0018999252946212
Energy: 1.0554909460301678
Energy: 1.0025337050344048
Energy: 1.089291146276563
Energy: 1.0864110178565656
Energy: 1.0892911462789792

minimum gb energy = 0.9931330240852008 eV
minimum distance =  2.2714209882287 Angstroms
sigma value = 29


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

Energy: 0.9332697983642431
Energy: 1.117620978184417
Energy: 1.061809790216528
Energy: 0.9351688890006423
Energy: 0.9528178478460124
Energy: 1.0219742780734051
Energy: 0.9568852894869841
Energy: 1.0219742780728438
Energy: 0.9503356565605796
Energy: 1.0046694925366702
Energy: 0.9361931065878543
Energy: 1.0046694925363897
Energy: 0.9420687114447668
Energy: 0.9502764568253975
Energy: 0.9529461907555632
Energy: 0.9502764568229349
Energy: 0.949636931671079
Energy: 0.95298903314632
Energy: 0.941824626517652
Energy: 0.9529890331466006
Energy: 0.9516848005971306
Energy: 1.012868744381608
Energy: 0.9402043709708461
Energy: 1.012868744381608
Energy: 0.9375809231305381
Energy: 1.0045383230419715
Energy: 0.950619610282276
Energy: 1.0045383230362361
Energy: 0.954874212600501
Energy: 0.9565020770747537
Energy: 0.9469872936613984
Energy: 0.9565020770742236
Energy: 0.9684624401192924
Energy: 0.9519125997730509
Energy: 0.9569896692704105
Energy: 0.9519125997738614

minimum gb energy = 0.9332697983642431 eV
minimum distance =  2.3001457000679 Angstroms
sigma value = 5


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

Energy: 1.26448048207368
Energy: 0.9234187386678496
Energy: 1.0677594261720635
Energy: 0.896696778360673
Energy: 1.0553287851796525
Energy: 0.9204134865693626
Energy: 1.0642266249850931
Energy: 0.9204134865686019
Energy: 1.0646463346167643
Energy: 0.9889742607301384
Energy: 1.0846623574337133
Energy: 0.9889742607308992
Energy: 0.9379740125085178
Energy: 0.9955096839700888
Energy: 1.055723349995627
Energy: 0.9955096839700888
Energy: 1.054521780516962
Energy: 0.9179941138418004
Energy: 1.0814713489504384
Energy: 0.9179941138410395
Energy: 0.9190621440437601
Energy: 0.918530371134365
Energy: 1.0823268301128672
Energy: 0.9185303711351258
Energy: 0.9176930935053637
Energy: 0.917192948562482
Energy: 1.0569594554294968
Energy: 0.9171929485617213
Energy: 0.9258864764223849
Energy: 0.9219454831281991
Energy: 1.18020168491051
Energy: 0.9219454831274382
Energy: 0.9408937040514764
Energy: 0.9494831831425251
Energy: 1.1791844911843987
Energy: 0.9494831831425251
Energy: 1.0987651031651025
Energy: 0.9008086568275357
Energy: 0.9058232125228786
Energy: 0.9008086568267748
Energy: 0.9401938083330801
Energy: 0.8991193037895268
Energy: 0.9018190741319253
Energy: 0.8991193037895268
Energy: 1.2266125066333682
Energy: 0.8980830007751824
Energy: 0.8983232041392776
Energy: 0.8980830007751824
Energy: 1.2274520064030092
Energy: 0.8988656535597225
Energy: 0.8989963546840927
Energy: 0.8988656535604833
Energy: 0.9186910507511208
Energy: 0.9463415213671841
Energy: 1.0889454224824242
Energy: 0.9463415213656624
Energy: 0.9205779721280694
Energy: 0.9179170725585392
Energy: 1.0813037696366066
Energy: 0.9179170725585392
Energy: 0.9212502305545924
Energy: 0.9205458333732354
Energy: 1.055157138949815
Energy: 0.9205458333739961
Energy: 0.9195434787905868
Energy: 0.9184859886900015
Energy: 0.9361409502509241
Energy: 0.9184859886907623
Energy: 1.0746641713410583
Energy: 0.9220842166641308
Energy: 0.9380183479704534
Energy: 0.9220842166648917
Energy: 1.087374929221105
Energy: 0.9905008358005746
Energy: 1.0648009402529417
Energy: 0.9905008357998139
Energy: 1.0557272565601632
Energy: 0.9923323180853376
Energy: 0.9355822581474244
Energy: 0.9923323180838162
Energy: 1.0825049123978387
Energy: 0.9211903117674479
Energy: 1.0551638331800828
Energy: 0.9211903117666872
Energy: 1.0856393221341585
Energy: 0.918113958514871
Energy: 0.9187365946683403
Energy: 0.9181139585141103
Energy: 1.0565805511035604
Energy: 0.9174997456124256
Energy: 0.9193076394136646
Energy: 0.9174997456131864
Energy: 1.2288961928480655
Energy: 0.9204797303973915
Energy: 0.9276069432667542
Energy: 0.9204797303966307
Energy: 1.2234156804007201
Energy: 0.9462936395574818
Energy: 0.93985650993021
Energy: 0.9462936395574818
Energy: 0.8984622706638736
Energy: 0.9028453916300331
Energy: 1.0990076625083458
Energy: 0.9028453916292722
Energy: 0.9047353207490536
Energy: 0.9003619989367552
Energy: 0.9416417980405416
Energy: 0.9003619989359944
Energy: 0.8998705429987343
Energy: 0.9022397854694797
Energy: 0.9722971343263931
Energy: 0.9022397854694797
Energy: 0.8983415344823553
Energy: 0.8998550573668522
Energy: 1.167807135149462
Energy: 0.8998550573683739
Energy: 1.0876498564293111
Energy: 0.9458136037623418
Energy: 0.9396650016692307
Energy: 0.9458136037615811
Energy: 1.0816083541565176
Energy: 0.9188719717092934
Energy: 0.9226353780703488
Energy: 0.9188719717100541
Energy: 1.0547899283274687
Energy: 0.9192379622824666
Energy: 0.9229175958129495
Energy: 0.9192379622824666
Energy: 0.9376107450167455
Energy: 0.9181332880741385
Energy: 0.9189336023164367
Energy: 0.9181332880748992

minimum gb energy = 0.896696778360673 eV
minimum distance =  2.28118855176054 Angstroms
sigma value = 1


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

Energy: 1.348192465771864
Energy: 0.8741326896483048
Energy: 1.032129042408392
Energy: 0.8491099102237604
Energy: 0.8752194494068721
Energy: 0.8756157021717218
Energy: 1.072930928156742
Energy: 0.8756157021738257
Energy: 1.0734698160306952
Energy: 0.963151314523597
Energy: 1.0763927703383938
Energy: 0.963151314526753
Energy: 0.893251655777924
Energy: 0.9635117937322791
Energy: 1.0629775860053703
Energy: 0.9635117937291233
Energy: 0.8749635439854345
Energy: 0.8719296792313865
Energy: 1.0699524065175852
Energy: 0.8719296792313865
Energy: 0.8716965638646373
Energy: 0.8728014705642926
Energy: 1.0712807354312424
Energy: 0.8728014705642926
Energy: 0.8702659189923801
Energy: 0.8713243562812126
Energy: 1.0638483357840698
Energy: 0.8713243562791089
Energy: 0.8785452540538448
Energy: 0.8780768980769691
Energy: 1.2286329123146036
Energy: 0.8780768980769691
Energy: 1.0664232776713585
Energy: 0.9184498038482648
Energy: 1.228064754546108
Energy: 0.9184498038493166
Energy: 1.1180436352007552
Energy: 0.8783365607592867
Energy: 0.8763851229565734
Energy: 0.8783365607592867
Energy: 1.0649556944182508
Energy: 0.8714871841520845
Energy: 0.8707714588668455
Energy: 0.8714871841541645
Energy: 1.2239779508820794
Energy: 0.8756494752795815
Energy: 0.8720953989339089
Energy: 0.8756494752774778
Energy: 1.223830065627284
Energy: 0.872459614306033
Energy: 0.8730243143899123
Energy: 0.8724596143081369
Energy: 1.0629386410567767
Energy: 0.9628216921963422
Energy: 1.0752342868504539
Energy: 0.9628216921984462
Energy: 0.8950601811451118
Energy: 0.9622496696168155
Energy: 1.0726778886612305
Energy: 0.9622496696178675
Energy: 0.899180832946107
Energy: 0.8738623218501415
Energy: 1.063312672490383
Energy: 0.8738623218469856
Energy: 0.8719920499652168
Energy: 0.8730009637616144
Energy: 1.0734980261865554
Energy: 0.8730009637616144
Energy: 0.8878702229442789
Energy: 0.8770328865353458
Energy: 1.062064566557707
Energy: 0.8770328865353458
Energy: 0.8705749008400385
Energy: 0.8716922522999838
Energy: 1.2340432554324448
Energy: 0.8716922523020878
Energy: 0.8734569892976112
Energy: 0.8793379399090597
Energy: 1.2281852685013197
Energy: 0.8793379399101116
Energy: 1.0704253474531185
Energy: 0.9153562522942422
Energy: 1.0623722412290877
Energy: 0.9153562522942422
Energy: 1.0724901773949513
Energy: 0.8738169220852388
Energy: 0.876243728181318
Energy: 0.8738169220800031
Energy: 1.0640191730407054
Energy: 0.8717040859516273
Energy: 0.8720607437165204
Energy: 0.8717040859505755
Energy: 1.224075015836978
Energy: 0.8724756638557621
Energy: 0.8717643926083645
Energy: 0.8724756638557621

minimum gb energy = 0.8491099102237604 eV
minimum distance =  2.28430526397009 Angstroms
sigma value = 17


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

Energy: 1.4378923291183765
Energy: 0.8643594871238226
Energy: 1.032823794865577
Energy: 0.8460506411946699
Energy: 0.8613124279968466
Energy: 0.8635586182893997
Energy: 0.9871105769174391
Energy: 0.8635586182900499
Energy: 1.091150656934691
Energy: 0.8671778740061397
Energy: 1.007894480567218
Energy: 0.8671778740041892
Energy: 1.1406505215971232
Energy: 0.906180727735186
Energy: 0.9803091476703565
Energy: 0.9061807277345358
Energy: 0.967866564424803
Energy: 0.8452311541121935
Energy: 1.1486575719963823
Energy: 0.8452311541108931
Energy: 0.8459266375041046
Energy: 0.8449494649177549
Energy: 1.1270430976115788
Energy: 0.8449494649184051
Energy: 0.845897372280742
Energy: 0.8447411303787616
Energy: 0.8751030756653766
Energy: 0.8447411303807122
Energy: 0.8532175626245011
Energy: 0.8474807378001098
Energy: 1.1342335800236654
Energy: 0.8474807377981592
Energy: 1.118236377779458
Energy: 0.8456209062636773
Energy: 1.0909878115823872
Energy: 0.845620906263027
Energy: 1.0104724725117133
Energy: 0.9096476681021162
Energy: 0.9825150737212327
Energy: 0.9096476681034166
Energy: 1.1144715732773924
Energy: 0.8599391868281301
Energy: 0.8712085926550874
Energy: 0.8599391868242291
Energy: 1.1232199624019534
Energy: 0.8750646818344502
Energy: 0.9825816621261085
Energy: 0.8750646818357506
Energy: 1.1336305542502902
Energy: 0.8590034203235686
Energy: 0.8600246329717063
Energy: 0.8590034203242187
Energy: 1.0053647055190718
Energy: 0.8593230774196783
Energy: 0.8612612602229229
Energy: 0.8593230774183779
Energy: 1.1359343785365088
Energy: 0.8622769269541443
Energy: 0.8675772551800912
Energy: 0.8622769269560948
Energy: 1.1580795580354768
Energy: 0.8605001454032405
Energy: 0.8643016557040654
Energy: 0.8605001454045408
Energy: 0.8601087440884336
Energy: 0.8664089824409266
Energy: 0.9987527083781382
Energy: 0.866408982442227
Energy: 0.8589978306760037
Energy: 0.8588443995398115
Energy: 1.1195147048555414
Energy: 0.8588443995391614
Energy: 0.8616452949799767
Energy: 0.8659976319177443
Energy: 0.9838673021280725
Energy: 0.865997631917094
Energy: 0.8614709926408964
Energy: 0.8593110611944468
Energy: 0.8506357388558419
Energy: 0.8593110611924962
Energy: 0.9878171483382023
Energy: 0.8619091272337238
Energy: 0.9681025750287481
Energy: 0.861909127234374
Energy: 1.008597619860842
Energy: 0.8630733049244561
Energy: 1.095095082274785
Energy: 0.8630733049212053
Energy: 0.9809243899343536
Energy: 0.9041919741812445
Energy: 1.137115356800717
Energy: 0.9041919741799442
Energy: 1.1517370859966802
Energy: 0.8468027662780868
Energy: 0.9675937533516414
Energy: 0.8468027662819878
Energy: 1.1248100782722439
Energy: 0.8449216600992954
Energy: 0.845151652783616
Energy: 0.8449216600999455
Energy: 0.9826245367375783
Energy: 0.8455903734686926
Energy: 0.8499296760930924
Energy: 0.8455903734673923
Energy: 0.8536276254476407
Energy: 0.8452005546282386
Energy: 0.8463386717032936
Energy: 0.8452005546288888
Energy: 0.9833175532987528
Energy: 0.8470026604788654
Energy: 1.1220560166993625
Energy: 0.8470026604788654
Energy: 0.9883432855873892
Energy: 0.9094412484868559
Energy: 1.0079804145286861
Energy: 0.9094412484875061
Energy: 0.8723507866156813
Energy: 0.8592616930946907
Energy: 1.1144813918648477
Energy: 0.8592616930927401
Energy: 0.9810716245273735
Energy: 0.8590448318786181
Energy: 1.1280504380007979
Energy: 0.8590448318792683
Energy: 0.8593943407036123
Energy: 0.8590829650487248
Energy: 1.1290694177752367
Energy: 0.8590829650480747
Energy: 0.8591883920045053
Energy: 0.8585367040254527
Energy: 1.007422630325866
Energy: 0.8585367040267531
Energy: 0.8666016122111666
Energy: 0.863906625335359
Energy: 1.1393401317664624
Energy: 0.8639066253327584
Energy: 1.0114971621663735
Energy: 0.8877989922578732
Energy: 1.1527786008711607
Energy: 0.8877989922578732
Energy: 1.2943378342783258
Energy: 0.864629545549586
Energy: 0.8600370108956984
Energy: 0.8646295455508863
Energy: 1.1164556564800105
Energy: 0.8588101334977638
Energy: 0.8595067568535685
Energy: 0.8588101334971137
Energy: 1.0915854190157206
Energy: 0.8647982461130398
Energy: 0.8615508310253778
Energy: 0.8647982461130398

minimum gb energy = 0.8447411303787616 eV
minimum distance =  2.27990050122341 Angstroms
sigma value = 89


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

Energy: 1.5244641528823564
Energy: 0.7833983206368025
Energy: 0.786351973117903
Energy: 0.8055414012634612
Energy: 0.786672335415988
Energy: 0.8566666450264746
Energy: 0.7923353561498706
Energy: 0.8566666450264746
Energy: 0.7892133854387883
Energy: 0.858931131059318
Energy: 0.7993328394790118
Energy: 0.858931131059318
Energy: 0.7786561566085108
Energy: 0.8587544274553407
Energy: 0.783022477670394
Energy: 0.8587544274553407
Energy: 0.7829177188793612
Energy: 0.7829633122196438
Energy: 0.7965872964609809
Energy: 0.7829633122196438
Energy: 0.78364052160733
Energy: 0.7816686954027574
Energy: 0.7948591013195415
Energy: 0.7816686954027574
Energy: 0.782549860757477
Energy: 0.7807402413670533
Energy: 0.7845769030385852
Energy: 0.7807402413670533
Energy: 0.7827662310302765
Energy: 0.7868085954866276
Energy: 0.7769419056601647
Energy: 0.7868085954883288
Energy: 0.7878723557835856
Energy: 0.7819904869721629
Energy: 0.7770986642558173
Energy: 0.7819904869721629
Energy: 0.8036574709339636
Energy: 0.8627045612837501
Energy: 0.7873701188294232
Energy: 0.8627045612837501
Energy: 0.7849262601134571
Energy: 0.8509758467522092
Energy: 0.776155906173817
Energy: 0.8509758467522092
Energy: 0.7935820011461941
Energy: 0.7814646529893404
Energy: 0.7857379859354812
Energy: 0.7814646529893404
Energy: 0.7971596452904293
Energy: 0.7840129343794432
Energy: 0.7826776449985116
Energy: 0.7840129343794432
Energy: 0.7835238993116662
Energy: 0.7803176453767037
Energy: 0.7806563978369085
Energy: 0.7803176453767037
Energy: 0.7772128936117194
Energy: 0.7836456041351278
Energy: 0.7865632171278693
Energy: 0.7836456041283233

minimum gb energy = 0.776155906173817 eV
minimum distance =  2.30781824844543 Angstroms
sigma value = 13


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

Energy: 1.3462525541713701
Energy: 0.738460819751267
Energy: 0.9431250809216914
Energy: 0.7314842118296578
Energy: 0.869372355160379
Energy: 0.7374730024839364
Energy: 0.8714558372903174
Energy: 0.7374730024803712
Energy: 0.7390675276944665
Energy: 0.7344744875550027
Energy: 0.8870583632213156
Energy: 0.7344744875557158
Energy: 1.03243920142489
Energy: 0.7369130964367977
Energy: 0.8729704279457513
Energy: 0.7369130964367977
Energy: 0.8779893480321569
Energy: 0.7371755231884445
Energy: 0.8878504649516025
Energy: 0.7371755231912965
Energy: 0.873419019656684
Energy: 0.7357091351798352
Energy: 0.8697277616605642
Energy: 0.7357091351819743
Energy: 0.8737288161876278
Energy: 0.7348644438294506
Energy: 0.8705604773581308
Energy: 0.7348644438265984
Energy: 0.8742343289259271
Energy: 0.7344008053188116
Energy: 0.8833502078935482
Energy: 0.7344008053123944
Energy: 0.7332182653242253
Energy: 0.7374264799240738
Energy: 0.8757892605124402
Energy: 0.7374264799247869
Energy: 0.7343955736801078
Energy: 0.7341753320411184
Energy: 0.8745301163567781
Energy: 0.7341753320453965
Energy: 0.7363144073272327
Energy: 0.7339999846540733
Energy: 1.3471552271479117
Energy: 0.7339999846533602
Energy: 0.8704249495849548
Energy: 0.7337679622173294
Energy: 0.8754821011551186
Energy: 0.7337679622194686
Energy: 0.8855555627050903
Energy: 0.7769966268236073
Energy: 0.8695636497135868
Energy: 0.7769966268250335
Energy: 0.8732550458279081
Energy: 0.7755956831905579
Energy: 1.0321570157197542
Energy: 0.7755956831919841
Energy: 0.883981051286201
Energy: 0.7385783145291932
Energy: 0.8742051152957475
Energy: 0.7385783145313323
Energy: 0.879895034077348
Energy: 0.7365858885701428
Energy: 0.739429679822415
Energy: 0.736585888574421
Energy: 1.0266760784144249
Energy: 0.7345612387634315
Energy: 0.736808741074069
Energy: 0.7345612387620054
Energy: 0.7393993111423545
Energy: 0.7345120510643117
Energy: 0.7364243653536808
Energy: 0.7345120510735812
Energy: 0.997615486017232
Energy: 0.7437236345280226
Energy: 0.8697925584413322
Energy: 0.7437236345287356
Energy: 0.8738058536881517
Energy: 0.7331849608681137
Energy: 0.8858567777853988
Energy: 0.7331849608688268
Energy: 1.0355468934116416
Energy: 0.7344730734628232
Energy: 0.8704548151415108
Energy: 0.7344730734649622
Energy: 0.8737018446080823
Energy: 0.7879309993086495
Energy: 0.8693081450557568
Energy: 0.7879309993072234
Energy: 0.8800958444878985
Energy: 0.7384106087278413
Energy: 0.8853774748274683
Energy: 0.7384106087292672
Energy: 0.7382134982596443
Energy: 0.733120986718633
Energy: 0.8736301810776855
Energy: 0.7331209867200591
Energy: 0.871782049184448
Energy: 0.7351660302584897
Energy: 0.8825578106267913
Energy: 0.7351660302584897
Energy: 0.7356591340259137
Energy: 0.7334493323090248
Energy: 0.8788862381200981
Energy: 0.7334493323125898
Energy: 0.7337243520224512
Energy: 0.7330687005981747
Energy: 1.0283748619417519
Energy: 0.7330687006045921
Energy: 0.7341300204989654
Energy: 0.7381872991259611
Energy: 0.7367339293904598
Energy: 0.7381872991259611
Energy: 0.8694209068501918
Energy: 0.7346476539673151
Energy: 1.021872080598677
Energy: 0.7346476539701673
Energy: 0.8857995868449623
Energy: 0.7756024382065762
Energy: 1.0267828612090986
Energy: 0.7756024382101413
Energy: 0.8734421031027786
Energy: 0.7764696846645217
Energy: 1.0358421893423289
Energy: 0.776469684666661
Energy: 0.8800073406093596
Energy: 0.7357071355582546
Energy: 0.8690851545177016
Energy: 0.7357071355625328
Energy: 0.8846208269695038
Energy: 0.7372551113246925
Energy: 0.7339598831560954
Energy: 0.7372551113246925
Energy: 1.0281173278250706
Energy: 0.7330810754735075
Energy: 0.7336807916903848
Energy: 0.7330810754720813
Energy: 0.9974414450529551
Energy: 0.735412334331499
Energy: 0.7384305319540736
Energy: 0.735412334327221

minimum gb energy = 0.7314842118296578 eV
minimum distance =  2.3033422356458 Angstroms
sigma value = 37


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

Energy: 1.3138781751121027
Energy: 0.68130729137753
Energy: 0.6823971450537989
Energy: 0.6724597765857039
Energy: 1.1270591565223504
Energy: 0.68042031114738
Energy: 0.9196948828792076
Energy: 0.68042031114738
Energy: 1.0226761925149657
Energy: 0.6788645570529335
Energy: 0.9151249139247687
Energy: 0.6788645570529335
Energy: 1.0247807243705636
Energy: 0.7644630016948817
Energy: 0.9135322036011506
Energy: 0.7644630016948817
Energy: 0.8907781384882937
Energy: 0.6657047530999033
Energy: 1.0261273474938863
Energy: 0.6657047530999033
Energy: 0.7855184131542341
Energy: 0.6649552898303507
Energy: 0.9013312955370489
Energy: 0.664955289832804
Energy: 0.7934373051618526
Energy: 0.665365969439576
Energy: 1.1228754324863468
Energy: 0.665365969439576
Energy: 0.7941985126530734
Energy: 0.6643947280965502
Energy: 1.0262262766828067
Energy: 0.664394728097777
Energy: 0.7843739176530443
Energy: 0.6662321006542012
Energy: 1.0259163747694318
Energy: 0.6662321006566548
Energy: 0.7841387905830816
Energy: 0.661271949702672
Energy: 1.121806685823427
Energy: 0.661271949702672
Energy: 0.8171407698759662
Energy: 0.8165540259744297
Energy: 1.1776436340844205
Energy: 0.8165540259744297
Energy: 1.0160307756674498
Energy: 0.6610134524471222
Energy: 1.121698952257728
Energy: 0.6610134524471222
Energy: 1.0149091779598156
Energy: 0.6607797812609196
Energy: 1.0167425553982103
Energy: 0.6607797812621464
Energy: 1.019617485089238
Energy: 0.742436668706727
Energy: 1.0251790996719512
Energy: 0.7424366687055002
Energy: 1.0261273474938863
Energy: 0.7413685917922861
Energy: 0.900338071827308
Energy: 0.7413685917935128
Energy: 1.1222940806128672
Energy: 0.74071251697783
Energy: 0.7858986116689831
Energy: 0.7407125169790567
Energy: 1.1239091975757023
Energy: 0.7401069434872646
Energy: 0.7935797224052694
Energy: 0.7401069434872646
Energy: 1.0262262766791266
Energy: 0.6878761491836731
Energy: 0.6867632179327241
Energy: 0.6878761491836731
Energy: 1.0259163747669784
Energy: 0.683364392237521
Energy: 0.6802284788392406
Energy: 0.6833643922350675
Energy: 1.0180078032529094
Energy: 0.68088238619589
Energy: 0.685663966997785
Energy: 0.6808823861971168

minimum gb energy = 0.6607797812609196 eV
minimum distance =  2.29181308224343 Angstroms
sigma value = 25


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

Energy: 1.5022637893655815
Energy: 0.5970615732053726
Energy: 0.8284627220752913
Energy: 0.5955845221151396
Energy: 1.2757433797838955
Energy: 0.5932011678248302
Energy: 0.7873782422490324
Energy: 0.5932011678238723
Energy: 1.1937505036762759
Energy: 0.5922454123632458
Energy: 0.7855081516631576
Energy: 0.5922454123642037
Energy: 1.0501485634032655
Energy: 0.5934498073346363
Energy: 0.9323866281842353
Energy: 0.5934498073355943
Energy: 1.127267795821779
Energy: 0.6559206562721722
Energy: 1.126608473153506
Energy: 0.655920656275046
Energy: 1.04359275858689
Energy: 0.6545541905032114
Energy: 1.1228264438724054
Energy: 0.6545541905032114
Energy: 1.046595392700842
Energy: 0.5894284101260855
Energy: 1.1162067205561026
Energy: 0.5894284101260855
Energy: 0.7749140856543083
Energy: 0.5845044571398695
Energy: 1.1884043237977748
Energy: 0.5845044571408274
Energy: 0.7684950974848572
Energy: 0.5885129485958036
Energy: 1.118946829392642
Energy: 0.5885129485967615
Energy: 0.7697577029892047
Energy: 0.5896319121324267
Energy: 1.2610730587384897
Energy: 0.5896319121333847
Energy: 0.6820318877762688
Energy: 0.5906229726086811
Energy: 1.2894343757760365
Energy: 0.5906229726077232
Energy: 0.6857853670988312
Energy: 0.5850930309741215
Energy: 1.261342843554019
Energy: 0.5850930309731636
Energy: 0.6854320971768079
Energy: 0.5862418598347544
Energy: 1.2606997342709538
Energy: 0.5862418598337965
Energy: 0.6933289186056038
Energy: 0.5838431553221987
Energy: 1.258869752277592
Energy: 0.5838431553212408
Energy: 0.8736074285120021
Energy: 0.583352315815096
Energy: 1.2662914493459072
Energy: 0.583352315815096
Energy: 0.8721715972923058
Energy: 0.5845336747994152
Energy: 1.1950240031235615
Energy: 0.5845336748013311
Energy: 0.9624200182065085
Energy: 0.5851791416439518
Energy: 1.1969842701380835
Energy: 0.5851791416429939
Energy: 0.8785017744243219
Energy: 0.6544738206706787
Energy: 0.972191935850011
Energy: 0.6544738206678049
Energy: 1.1042357544968686
Energy: 0.645538043622473
Energy: 1.045834772643845
Energy: 0.6455380436215151
Energy: 1.2750957622062604
Energy: 0.6521157113242352
Energy: 1.043947897139988
Energy: 0.6521157113338146
Energy: 1.2904279367045974
Energy: 0.5942625184463627
Energy: 0.7874527786263174
Energy: 0.5942625184492365
Energy: 1.2756674031756863
Energy: 0.5913286299991845
Energy: 0.6847146589355645
Energy: 0.5913286299982267
Energy: 1.1970510150554539
Energy: 0.5951648977274409
Energy: 0.7808890934675444
Energy: 0.5951648977274409
Energy: 1.187882816417722
Energy: 0.5944117980790741
Energy: 0.5995750737470824
Energy: 0.5944117980771583
Energy: 1.2724536407914815
Energy: 0.5922481363698405
Energy: 0.593276432180564
Energy: 0.5922481363707984
Energy: 1.1930787000519145
Energy: 0.5938117893525685
Energy: 0.5969835706174839
Energy: 0.5938117893525685

minimum gb energy = 0.583352315815096 eV
minimum distance =  2.30284092187706 Angstroms
sigma value = 41


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

Energy: 1.5288022443435385
Energy: 0.5317024444781944
Energy: 0.7751332764498976
Energy: 0.5344869388899685
Energy: 1.2298624910879672
Energy: 0.5289429165991115
Energy: 0.6857978944188003
Energy: 0.5289429165975766
Energy: 1.3547083257198618
Energy: 0.5276849212602248
Energy: 0.6919900082972559
Energy: 0.5276849212578688
Energy: 1.1168092044572848
Energy: 0.5304766473434446
Energy: 0.8582821179680398
Energy: 0.5304766473442298
Energy: 1.1123465539201256
Energy: 0.5259626529866909
Energy: 0.9802963330952508
Energy: 0.5259626529866909
Energy: 1.1072649658308924
Energy: 0.7321664857943417
Energy: 0.9773592938997655
Energy: 0.7321664857935564
Energy: 1.1109273791414223
Energy: 0.5809318552815655
Energy: 1.112868493522211
Energy: 0.5809318552807802
Energy: 0.9848417518348127
Energy: 0.5854189927725952
Energy: 0.9815647074882783
Energy: 0.5854189927741661
Energy: 0.8446405753291563
Energy: 0.5281268100160156
Energy: 1.230944465455812
Energy: 0.5281268100136596
Energy: 0.8447085727027853
Energy: 0.526271494077336
Energy: 1.1124673453013607
Energy: 0.5262714940757653
Energy: 0.6958560017248991
Energy: 0.5333182429474025
Energy: 1.2283766675320769
Energy: 0.5333182429552202
Energy: 0.6860706706649902
Energy: 0.5269651605758954
Energy: 1.354223580069904
Energy: 0.5269651605758954
Energy: 0.6877477475653156
Energy: 0.5313086785477001
Energy: 1.357191688733356
Energy: 0.5313086785461294
Energy: 0.5359001963629272
Energy: 0.5307140334456191
Energy: 1.2394974371360477
Energy: 0.5307140334464044
Energy: 0.5286188674129093
Energy: 0.5280853115032044
Energy: 1.353693026083385
Energy: 0.5280853115016337
Energy: 0.5316720163096386
Energy: 0.5287838492808244
Energy: 1.3551793132798255
Energy: 0.5287838492800391
Energy: 0.6925159351237958
Energy: 0.5313669118371684
Energy: 1.3594262715054084
Energy: 0.5313669118371684
Energy: 0.6859767033431309
Energy: 0.5261040733820507
Energy: 1.353679863444055
Energy: 0.5261040733812654
Energy: 0.6881456569093091
Energy: 0.5277260755070186
Energy: 1.1112504221263044
Energy: 0.5277260755062332
Energy: 0.9778432784466262
Energy: 0.5287627282361989
Energy: 1.1077884114965708
Energy: 0.5287627282369841
Energy: 0.9858516718085837
Energy: 0.5267524307704102
Energy: 1.228105041152499
Energy: 0.5267524307704102
Energy: 0.9783197820548032
Energy: 0.5802346134484507
Energy: 1.1145380591338714
Energy: 0.5802346134460947
Energy: 1.2306787555148915
Energy: 0.5781407661956263
Energy: 1.1055694472136157
Energy: 0.5781407661964115
Energy: 0.9805553227407323
Energy: 0.5812600692047953
Energy: 0.9774716164560289
Energy: 0.581260069206366
Energy: 1.2287240561226849
Energy: 0.5266579676555554
Energy: 0.8460582723382628
Energy: 0.5266579676531993
Energy: 1.2308421942714205
Energy: 0.5280931294530377
Energy: 0.9791272902186516
Energy: 0.5280931294537873
Energy: 1.2359234853693826
Energy: 0.5314205264123875
Energy: 0.6882685896648989
Energy: 0.5314205264116021
Energy: 1.3528020350837022
Energy: 0.5270191313175742
Energy: 0.6877179298762346
Energy: 0.5270191313199302
Energy: 1.2355509035673427
Energy: 0.53069969820989
Energy: 0.6917299189908713
Energy: 0.53069969820989
Energy: 1.2317139016617973
Energy: 0.5297531848184212
Energy: 0.5291648880414495
Energy: 0.5297531848199918
Energy: 1.3521157098738377
Energy: 0.5278490799575163
Energy: 0.5280239170754103
Energy: 0.527849079956731
Energy: 1.3635594584888218
Energy: 0.5301639678627833
Energy: 0.5374828190015764
Energy: 0.5301639678612126

minimum gb energy = 0.5259626529866909 eV
minimum distance =  2.31095264171398 Angstroms
sigma value = 15


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

Energy: 1.320753827226937
Energy: 0.48839774189864943
Energy: 0.7398981680058266
Energy: 0.4914948625908051
Energy: 1.3067918828779417
Energy: 0.48555813130552794
Energy: 0.6184788493089061
Energy: 0.48555813130486264
Energy: 1.4156006937149423
Energy: 0.4850735712679241
Energy: 0.6223393706840866
Energy: 0.48507357126725886
Energy: 1.2145400098846755
Energy: 0.4876696819719588
Energy: 0.8792867026463739
Energy: 0.4876696819712935
Energy: 1.206785845731599
Energy: 0.4822139847150541
Energy: 0.8723437764327073
Energy: 0.4822139847150541
Energy: 1.2055405336667713
Energy: 0.48273887221866546
Energy: 0.8709613845488042
Energy: 0.4827388722180001
Energy: 0.9869096749844377
Energy: 0.49190006469690106
Energy: 1.0954003472755065
Energy: 0.4919000646962358
Energy: 1.0990170343592123
Energy: 0.5306227035371217
Energy: 0.872567452377608
Energy: 0.5306227035444397
Energy: 0.9863021336451653
Energy: 0.5271547480016301
Energy: 1.0933015816950347
Energy: 0.5271547480036259
Energy: 0.9845506922428137
Energy: 0.5274150759291665
Energy: 1.209904328636187
Energy: 0.52741507589064
Energy: 0.8768572464687399
Energy: 0.4866108066106388
Energy: 1.105514424056923
Energy: 0.4866108066079776
Energy: 0.7519615583369467
Energy: 0.48188547033695045
Energy: 1.306618914074561
Energy: 0.4818854703349546
Energy: 0.8723716256523276
Energy: 0.4831654206235495
Energy: 1.3090710929008305
Energy: 0.4831654206248801
Energy: 0.6282956737835
Energy: 0.48793396456823523
Energy: 1.1015644723725604
Energy: 0.48793396456557403
Energy: 0.6187566084869695
Energy: 0.4828829025637114
Energy: 1.4129266474855962
Energy: 0.48288290256304606
Energy: 0.6250610696379649
Energy: 0.48728924887548053
Energy: 1.311581404259776
Energy: 0.48728924887548053
Energy: 0.49100325344824125
Energy: 0.48548264401108304
Energy: 1.315744036245108
Energy: 0.48548264400775654
Energy: 0.4837253789867764
Energy: 0.48314956126358044
Energy: 1.4124403810170212
Energy: 0.4831495612629152
Energy: 0.48865008794217574
Energy: 0.49095916699258535
Energy: 1.2085146240309779
Energy: 0.49095916699391595
Energy: 0.6262368389263883
Energy: 0.48876210781784357
Energy: 1.4172743167385335
Energy: 0.4887621078191741
Energy: 0.6164689264512929
Energy: 0.4827822109867577
Energy: 1.4127561091454464
Energy: 0.48278221098742297
Energy: 0.627847569848945
Energy: 0.4873406030069168
Energy: 1.2114097045091219
Energy: 0.4873406030029251
Energy: 0.8711499848498413
Energy: 0.48382753551721347
Energy: 1.2032426208951894
Energy: 0.48382753551787877
Energy: 0.8734482904010369
Energy: 0.4820459128178236
Energy: 1.3092129140219595
Energy: 0.48204591282048476
Energy: 0.8787858876918281
Energy: 0.48606494577407544
Energy: 0.9924294461539298
Energy: 0.48606494576941833
Energy: 1.0952970174653036
Energy: 0.5281688407025777
Energy: 1.2119569481661192
Energy: 0.5281688406939289
Energy: 0.8710899548829073
Energy: 0.5270097145032483
Energy: 1.094701585925076
Energy: 0.527009714502583
Energy: 1.099958446282833
Energy: 0.5310950600278121
Energy: 0.9919333941293501
Energy: 0.5310950600311386
Energy: 1.0985909117397075
Energy: 0.4906789430114306
Energy: 1.0960269581688695
Energy: 0.49067894301076526
Energy: 1.0955568831115643
Energy: 0.48295291280741637
Energy: 0.8716253322909794
Energy: 0.48295291280608577
Energy: 1.3128538781836199
Energy: 0.48184660828118053
Energy: 0.7520563417633543
Energy: 0.4818466082791847
Energy: 1.1004656235796522
Energy: 0.48720551236168763
Energy: 0.8771059958813205
Energy: 0.48720551236235293
Energy: 1.3099588635408859
Energy: 0.48499564901352854
Energy: 0.6251315773270453
Energy: 0.48499564901352854
Energy: 1.3055574360473805
Energy: 0.4845113654310485
Energy: 0.6221136242584636
Energy: 0.4845113654277221
Energy: 1.324224906085944
Energy: 0.4860471719323625
Energy: 0.49291728765880494
Energy: 0.4860471719343584
Energy: 1.41639453870539
Energy: 0.4867586487314907
Energy: 0.49400404176904883
Energy: 0.4867586487321561
Energy: 1.4131868552378017
Energy: 0.4876096263391423
Energy: 0.48568052952104057
Energy: 0.4876096263404729

minimum gb energy = 0.4818466082791847 eV
minimum distance =  2.30806391243922 Angstroms
sigma value = 85


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

Energy: 1.4123458409690186
Energy: 0.4340479440229973
Energy: 0.4341492258700325
Energy: 0.4436647593539659
Energy: 1.3511279081846492
Energy: 0.4332603439483599
Energy: 0.5526509637880935
Energy: 0.4332603439477829
Energy: 1.2611738661465426
Energy: 0.43282869198909313
Energy: 0.5563401308832351
Energy: 0.4328286919885161
Energy: 1.0663569033308906
Energy: 0.43649052148403583
Energy: 0.7749286726821829
Energy: 0.43649052148345885
Energy: 1.2632393581498085
Energy: 0.43098221015583515
Energy: 0.774845971949267
Energy: 0.4309822101564122
Energy: 1.0702052849980228
Energy: 0.43199347722020887
Energy: 0.7757295123958123
Energy: 0.4319934772196319
Energy: 1.074863482746307
Energy: 0.43310585815774405
Energy: 0.9780926445631337
Energy: 0.433105858154282
Energy: 1.1709043975095983
Energy: 0.4322567642603015
Energy: 0.771913258195122
Energy: 0.43225676426145554
Energy: 1.074399056351482
Energy: 0.4314026875798928
Energy: 0.9733800482551787
Energy: 0.4314026875787388
Energy: 1.0736597655729698
Energy: 0.5059028520823566
Energy: 1.1643688225748317
Energy: 0.5059028520708164
Energy: 0.9805401938326885
Energy: 0.5055522001732584
Energy: 0.9722895664531103
Energy: 0.5055522001796054
Energy: 0.8788926110992135
Energy: 0.43187210700234685
Energy: 1.1649782127128312
Energy: 0.43187210693717093
Energy: 0.9728883313691224
Energy: 0.43379181655122895
Energy: 1.1656057007420562
Energy: 0.433791816550652
Energy: 0.7825513829843914
Energy: 0.4338162998078992
Energy: 0.9774327468473898
Energy: 0.4338162998073221
Energy: 0.664723283801691
Energy: 0.4310755170620765
Energy: 1.3496311537078638
Energy: 0.4310755170603454
Energy: 0.7783919761890031
Energy: 0.4339337402431885
Energy: 1.1674773218705767
Energy: 0.4339337402431885
Energy: 0.5590569803508242
Energy: 0.4343626995167918
Energy: 1.163805615643054
Energy: 0.4343626995398461
Energy: 0.5501096689358946
Energy: 0.4313220930069926
Energy: 1.3518333213382654
Energy: 0.4313220930064156
Energy: 0.5519042003450109
Energy: 0.43463275725327777
Energy: 1.3492199155598112
Energy: 0.43463275725327777
Energy: 0.4367385505601402
Energy: 0.4360749585650903
Energy: 1.34924147159546
Energy: 0.4360749585656673
Energy: 0.4325192617232546
Energy: 0.4314147969333994
Energy: 1.4416859970167437
Energy: 0.4314147969333994
Energy: 0.4349093310174365
Energy: 0.4332909981098862
Energy: 1.2579291595630162
Energy: 0.4332909981110402
Energy: 0.5570863199921136
Energy: 0.43376377620480705
Energy: 1.446272230688347
Energy: 0.43376377620423
Energy: 0.5506183642606164
Energy: 0.43121457875234626
Energy: 1.3507225591030947
Energy: 0.4312145787535003
Energy: 0.5517511913497777
Energy: 0.4355903382294527
Energy: 1.066814780681506
Energy: 0.4355903382294527
Energy: 0.774918072017445
Energy: 0.4318005646849358
Energy: 1.35685460399782
Energy: 0.43180056468435873
Energy: 0.7745389459862028
Energy: 0.43138225986878576
Energy: 1.259704382591155
Energy: 0.4313822598699397
Energy: 0.885560658538657
Energy: 0.4345365190189336
Energy: 1.0685033350536355
Energy: 0.4345365190189336
Energy: 0.9768872244983056
Energy: 0.43238422636941437
Energy: 1.2651813992998033
Energy: 0.43238422636941437
Energy: 0.9742440969024538
Energy: 0.4319465294741959
Energy: 1.0704652912341766
Energy: 0.43194652945229567
Energy: 1.1668746189300276
Energy: 0.5061795367782657
Energy: 0.8776317008585276
Energy: 0.5061795367748299
Energy: 0.9721106459091113
Energy: 0.5059901884314415
Energy: 1.0753865712389028
Energy: 0.5059901884435586
Energy: 1.1660846609548245
Energy: 0.43180080956441214
Energy: 0.8745621143090577
Energy: 0.43180080956441214
Energy: 1.2652548466013107
Energy: 0.4324217976029467
Energy: 0.8754776067906783
Energy: 0.4324217976029467
Energy: 0.9699971249738959
Energy: 0.4336409532733288
Energy: 0.7746527176017484
Energy: 0.43364095327275176
Energy: 1.351422836576734
Energy: 0.4313166659980684
Energy: 0.7745093260886496
Energy: 0.4313166659969144
Energy: 1.3520920171021624
Energy: 0.43221200443676094
Energy: 0.7752903359927112
Energy: 0.432212004435607
Energy: 1.1637436555115774
Energy: 0.4324750630694777
Energy: 0.5517191010615344
Energy: 0.43247506307005473
Energy: 1.4451881655864578
Energy: 0.4310638370969145
Energy: 0.5508548018168453
Energy: 0.43106383709576046
Energy: 1.3546430759663275
Energy: 0.43388315518264725
Energy: 0.5571802826552353
Energy: 0.43388315518437826
Energy: 1.162351358370425
Energy: 0.43286062866173775
Energy: 0.4309581039014932
Energy: 0.4328606286605837
Energy: 1.442043075370311
Energy: 0.43158081920999947
Energy: 0.4316988005946399
Energy: 0.4315808192105765
Energy: 1.2660262324938407
Energy: 0.43689074695591107
Energy: 0.4345547216992143
Energy: 0.43689074695475705

minimum gb energy = 0.4309581039014932 eV
minimum distance =  2.30606059152266 Angstroms
sigma value = 113


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

Energy: 0.015381949284359148
Energy: 0.3795464088693722
Energy: 1.0892330006816842
Energy: 0.01673705564645101
Energy: 0.8083134091314718
Energy: 0.1014477720949556
Energy: 0.8114175975304262
Energy: 0.1014477720940931
Energy: 0.04557583524150547
Energy: 0.0990162917228915
Energy: 0.8067130225822458
Energy: 0.0990162917228915
Energy: 0.016988855856497353
Energy: 0.10191433182447562
Energy: 0.8169133029809453
Energy: 0.10191433182533813
Energy: 0.8090440130514793
Energy: 0.10126166988652456
Energy: 0.8085767528976041
Energy: 0.10126166988696814
Energy: 0.015987257945966844
Energy: 0.10299757221810554
Energy: 0.8094896913562075
Energy: 0.10299757221810554

minimum gb energy = 0.015381949284359148 eV
minimum distance =  2.52278333721383 Angstroms
sigma value = 1