Model name: model_name=MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_000
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=3.6150126680731782
cohesive_energy=3.5402784095890816
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.01369876778554695
Energy: 0.01456090951604795
Energy: 1.6520355545424756
Energy: 0.014560909515420736
Energy: 0.014560909515420736
Energy: 1.6950679127156607
Energy: 0.01456090951604795
Energy: 1.6950679127156607
Energy: 1.6520355545443224
Energy: 0.01456090951604795
Energy: 0.01369876778554695
Energy: 0.014560909515420736
Energy: 0.014560909515420736
Energy: 1.6950679127156607
Energy: 0.01456090951604795
Energy: 1.6950679127156607

minimum gb energy = 0.01369876778554695 eV
minimum distance =  2.44691215609227 Angstroms
sigma value = 1


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

Energy: 1.567179203104625
Energy: 1.3336216047105311
Energy: 1.2451093548290884
Energy: 1.3336216047105311
Energy: 1.2701084536229044
Energy: 1.3239993676731898
Energy: 1.2707714483465082
Energy: 1.3239993676731898
Energy: 1.1498886824964372
Energy: 1.3222480674757238
Energy: 1.3261794825873106
Energy: 1.322248067474963
Energy: 1.2778785647809212
Energy: 1.3482663536982944
Energy: 1.2540626386307325
Energy: 1.3482663536982944
Energy: 1.2793002565094296
Energy: 1.3382684909856544
Energy: 1.289564470386016
Energy: 1.3382684909864153
Energy: 1.1727814410085646
Energy: 1.5691480818316343
Energy: 1.2251242383923961
Energy: 1.5691480818316343
Energy: 1.3020200592539315
Energy: 1.3191319095437313
Energy: 1.1750894951336552
Energy: 1.319131909544492
Energy: 1.062665346304516
Energy: 1.340681941429131
Energy: 1.2082916391135992
Energy: 1.340681941429131
Energy: 1.253457934632078
Energy: 1.587411924126834
Energy: 1.2586353255650515
Energy: 1.5874119241283553
Energy: 1.2158305282512314
Energy: 1.321239790636379
Energy: 1.0508046657063217
Energy: 1.321239790636379
Energy: 1.266238403566584
Energy: 1.3196976053138996
Energy: 1.2535223880897612
Energy: 1.3196976053138996
Energy: 1.231436133604706
Energy: 1.3409545579505544
Energy: 1.23182890625674
Energy: 1.3409545579505544
Energy: 1.2693024887752158
Energy: 1.3178320619862784
Energy: 1.301897295199173
Energy: 1.3178320619862784
Energy: 1.2954499222500517
Energy: 1.3289656814933524
Energy: 1.2390212974273027
Energy: 1.3289656814933524
Energy: 1.2922884480481218
Energy: 1.3352484329977194
Energy: 1.2611831551327286
Energy: 1.33524843299848
Energy: 1.2618995526298853
Energy: 1.3352193793639386
Energy: 1.3123824961755262
Energy: 1.3352193793639386
Energy: 1.3264492886353156
Energy: 1.3223062145156463
Energy: 1.1535955756894245
Energy: 1.3223062145148858
Energy: 1.2707267626128176
Energy: 1.3067091693661514
Energy: 1.3006640642395386
Energy: 1.3067091693661514
Energy: 1.094515260989065
Energy: 1.3379197954637834
Energy: 1.269551117325625
Energy: 1.3379197954645439
Energy: 1.2795203678411913
Energy: 1.2643358785703713
Energy: 1.2551077035022002
Energy: 1.2643358785703713
Energy: 1.2136534227873
Energy: 1.3223082210564683
Energy: 1.1011304142443974
Energy: 1.3223082210557073
Energy: 1.2541241381694102
Energy: 1.557491449595885
Energy: 1.2833073957514918
Energy: 1.5574914495966456
Energy: 1.2901276135487452
Energy: 1.338416454007659
Energy: 1.1574913441113568
Energy: 1.338416454007659
Energy: 1.2376210195942488
Energy: 1.3226107891627608
Energy: 1.172790843634385
Energy: 1.3226107891627608
Energy: 1.1738298636319582
Energy: 1.56738834897623
Energy: 1.3020451408375862
Energy: 1.5673883489754694
Energy: 1.3076206698035526
Energy: 1.3408663204878462
Energy: 1.1610246228882213
Energy: 1.3408663204886067
Energy: 1.2605223157936127
Energy: 1.5551294036096712
Energy: 1.2534690711912495
Energy: 1.55512940360815
Energy: 1.1525857579313818
Energy: 1.3191951878770214
Energy: 1.3208534584279372
Energy: 1.3191951878770214
Energy: 1.2693204298209393
Energy: 1.302519483017457
Energy: 1.2542927484888846
Energy: 1.302519483017457
Energy: 1.3448939474191546
Energy: 1.334693671861584
Energy: 1.2175917198911432
Energy: 1.334693671861584
Energy: 1.271795851796404
Energy: 1.3282918007014182
Energy: 1.2693058435450972
Energy: 1.3282918007006577
Energy: 1.2406647229036745
Energy: 1.319329994719784
Energy: 1.2954047059127327
Energy: 1.3193299947190236
Energy: 1.2793148132424719
Energy: 1.348848830528736
Energy: 1.256813643525843
Energy: 1.348848830528736

minimum gb energy = 1.0508046657063217 eV
minimum distance =  2.28824451571599 Angstroms
sigma value = 1


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

Energy: 1.7030587929430907
Energy: 1.4501181622693535
Energy: 1.2723009314233553
Energy: 1.4501181622684862
Energy: 1.3433426846612313
Energy: 1.419601722994476
Energy: 1.3502810554366595
Energy: 1.4196017229936089
Energy: 1.2288337980285684
Energy: 1.453024030532679
Energy: 1.4017479474249814
Energy: 1.4530240305318118
Energy: 1.3219382045344594
Energy: 1.4360406923803921
Energy: 1.2479107754335221
Energy: 1.4360406923795246
Energy: 1.321901960890362
Energy: 1.4289026550768111
Energy: 1.3708190202450306
Energy: 1.4289026550759438
Energy: 1.3560069882191599
Energy: 1.4255160925745554
Energy: 1.3267658097297834
Energy: 1.4255160925736883
Energy: 1.3353762757695191
Energy: 1.3454889006570308
Energy: 1.293764178871314
Energy: 1.3454889006596327
Energy: 1.1127542466104134
Energy: 1.4531916187425111
Energy: 1.2962966260999746
Energy: 1.4531916187416438
Energy: 1.3295469429483164
Energy: 1.3658039076833868
Energy: 1.3566001789729754
Energy: 1.3658039076825197
Energy: 1.3541922490613971
Energy: 1.4531358327359885
Energy: 1.2273450374543542
Energy: 1.453135832737723
Energy: 1.3352629396246376
Energy: 1.4033649185194632
Energy: 1.356758563665204
Energy: 1.4033649185220651
Energy: 1.2235666607282039
Energy: 1.437882364766057
Energy: 1.3730559705875287
Energy: 1.4378823647669243
Energy: 1.4021660453852736
Energy: 1.42533411932035
Energy: 1.3337312814682518
Energy: 1.425334119321217
Energy: 1.4020518916620985
Energy: 1.4253286709901138
Energy: 1.2392477020074344
Energy: 1.4253286709901138
Energy: 1.2234188170099127
Energy: 1.43790362478938
Energy: 1.4152968357744706
Energy: 1.43790362478938
Energy: 1.3352953606499487
Energy: 1.4034297949987948
Energy: 1.3502799776520202
Energy: 1.4034297950005297
Energy: 1.3541822393332454
Energy: 1.4531233323515889
Energy: 1.1614748063817393
Energy: 1.4531233323533237
Energy: 1.3296134960444637
Energy: 1.365549856219279
Energy: 1.3566068032114134
Energy: 1.365549856219279
Energy: 1.1127570605289752
Energy: 1.4531652292221995
Energy: 1.2571323970970307
Energy: 1.4531652292248014
Energy: 1.3353313786793437
Energy: 1.34565138333835
Energy: 1.2468546007962036
Energy: 1.3456513833366157
Energy: 1.3555702118531878
Energy: 1.4250531515721558
Energy: 1.26114430561965
Energy: 1.4250531515712885
Energy: 1.3219310368597774
Energy: 1.4286632778348811
Energy: 1.3361736251262442
Energy: 1.4286632778331467
Energy: 1.3218811243274187
Energy: 1.4365764873596205
Energy: 1.240671451506804
Energy: 1.4365764873596205
Energy: 1.228866843864027
Energy: 1.4529975432069862
Energy: 1.415183617374008
Energy: 1.4529975432069862
Energy: 1.343516839419718
Energy: 1.4196086380274846
Energy: 1.3501806874645146
Energy: 1.419608638026617
Energy: 1.7030587929413563
Energy: 1.4501181622693535
Energy: 1.316513714055047
Energy: 1.4501181622684862
Energy: 1.3433426846603642
Energy: 1.419601722994476
Energy: 1.3502810554357925
Energy: 1.4196017229936089
Energy: 1.2288337980285684
Energy: 1.4530240305335462
Energy: 1.3730547072388157
Energy: 1.4530240305318118
Energy: 1.3219382045335921
Energy: 1.4360406923803921
Energy: 1.2479107754343892
Energy: 1.4360406923795246

minimum gb energy = 1.1127542466104134 eV
minimum distance =  2.23412420871004 Angstroms
sigma value = 25


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

Energy: 1.6254895770461024
Energy: 1.5679795716053846
Energy: 1.454030558325553
Energy: 1.5679795716043765
Energy: 1.4742903337920643
Energy: 1.5908646747687911
Energy: 1.4536602892840536
Energy: 1.5908646747687911
Energy: 1.3214980590626568
Energy: 1.5950254626717475
Energy: 1.4701840803686357
Energy: 1.5950254626717475
Energy: 1.4353762008078028
Energy: 1.5708497739340883
Energy: 1.3346947892912704
Energy: 1.5708497739350966
Energy: 1.4164516940516667
Energy: 1.5531516767318856
Energy: 1.4828987176379345
Energy: 1.5531516767318856
Energy: 1.4750341159520726
Energy: 1.5972918682126838
Energy: 1.4660335949393986
Energy: 1.5972918682136918
Energy: 1.4542827122838862
Energy: 1.503818378116936
Energy: 1.369767832439628
Energy: 1.503818378116936
Energy: 1.381701952884329
Energy: 1.558302738579325
Energy: 1.2778734731890506
Energy: 1.558302738579325
Energy: 1.3698993888510422
Energy: 1.5229648159699876
Energy: 1.4545972092630022
Energy: 1.522964815970996
Energy: 1.4686821981928349
Energy: 1.5960850349312237
Energy: 1.3996964823800169
Energy: 1.5960850349322317
Energy: 1.4362469096433386
Energy: 1.5523028168658681
Energy: 1.5006120286565046
Energy: 1.5523028168648598
Energy: 1.3469068547982492
Energy: 1.567569957640248
Energy: 1.4994585597310486
Energy: 1.567569957640248
Energy: 1.4700737140223432
Energy: 1.5866290501020643
Energy: 1.32041241270982
Energy: 1.586629050101056
Energy: 1.4353435481600958
Energy: 1.549054800428563
Energy: 1.4563463566033343
Energy: 1.5490548004295712
Energy: 1.1861817955258687
Energy: 1.5568180777460923
Energy: 1.287739101482652
Energy: 1.5568180777460923
Energy: 1.4396306652486859
Energy: 1.570750790728378
Energy: 1.4000103807810076
Energy: 1.570750790728378
Energy: 1.2486761753648272
Energy: 1.596545164685728
Energy: 1.2589237298004556
Energy: 1.596545164685728
Energy: 1.3319503855015953
Energy: 1.5653797804491019
Energy: 1.4229559046109221
Energy: 1.56537978045011
Energy: 1.4493128483785904
Energy: 1.568378239816411
Energy: 1.3318726842002426
Energy: 1.568378239816411
Energy: 1.4801684002177022
Energy: 1.5958814735737303
Energy: 1.4526793412857628
Energy: 1.5958814735727223
Energy: 1.4117044964480168
Energy: 1.4828261732487475
Energy: 1.4810138711597756
Energy: 1.4828261732497556
Energy: 1.5102350869445171
Energy: 1.5682704913565277
Energy: 1.4604707820836824
Energy: 1.5682704913565277
Energy: 1.474957229542542
Energy: 1.5451688363632992
Energy: 1.4999372957995092
Energy: 1.5451688363632992
Energy: 1.1861660540863541
Energy: 1.5942129928362991
Energy: 1.4689999092350985
Energy: 1.5942129928373072
Energy: 1.514669985231875
Energy: 1.5756515350549227
Energy: 1.3356324188995983
Energy: 1.575651535055931

minimum gb energy = 1.1861660540863541 eV
minimum distance =  2.246315116847 Angstroms
sigma value = 9


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

Energy: 1.6420620974128952
Energy: 1.7093706376082698
Energy: 1.492300569631781
Energy: 1.7093706376070674
Energy: 1.4693593863557968
Energy: 1.667597544057813
Energy: 1.5579791533301344
Energy: 1.6675975440566102
Energy: 1.4287953914443374
Energy: 1.7174963396923584
Energy: 1.5427262830345478
Energy: 1.7174963396935612
Energy: 1.6273354035515546
Energy: 1.742827482486822
Energy: 1.315305046550362
Energy: 1.742827482486822
Energy: 1.625231100269896
Energy: 1.6625272667216817
Energy: 1.537864824908046
Energy: 1.6625272667216817
Energy: 1.2620401216904045
Energy: 1.7175802176075907
Energy: 1.4743581181460637
Energy: 1.7175802176063881
Energy: 1.579856397672048
Energy: 1.3153664213827487
Energy: 1.3160357763042467
Energy: 1.3153664213827487
Energy: 1.420872802410163
Energy: 1.7177448647211995
Energy: 1.306121828112944
Energy: 1.7177448647211995
Energy: 1.5787929876132327
Energy: 1.6672130481563714
Energy: 1.5870324383133785
Energy: 1.6672130481563714
Energy: 1.57864065727077
Energy: 1.7096140612107487
Energy: 1.4741060361870728
Energy: 1.7096140612107487
Energy: 1.4253790168893685
Energy: 1.6948314826345126
Energy: 1.542636134952434
Energy: 1.6948314826345126
Energy: 1.6277840283354723
Energy: 1.7406111063919927
Energy: 1.3154124122533535
Energy: 1.7406111063919927
Energy: 1.2620532841084737
Energy: 1.7175687442328982
Energy: 1.4013892565065322
Energy: 1.7175687442328982
Energy: 1.3943325700024463
Energy: 1.5879792789854117
Energy: 1.5537257436193785
Energy: 1.5879792789854117
Energy: 1.2620587106420735
Energy: 1.7176057836698255
Energy: 1.3435011376351753
Energy: 1.7176057836710283
Energy: 1.6279186703195163
Energy: 1.7407162291077038
Energy: 1.315441847353605
Energy: 1.7407162291089069
Energy: 1.4255925051521467
Energy: 1.6947897912647938
Energy: 1.4189160264899876
Energy: 1.6947897912647938
Energy: 1.578625344683284
Energy: 1.7095559663263231
Energy: 1.4741896679793047
Energy: 1.7095559663263231
Energy: 1.5787352646218815
Energy: 1.6672444855764548
Energy: 1.475302231633998
Energy: 1.6672444855764548
Energy: 1.420710909294926
Energy: 1.717730770606647
Energy: 1.3061147743708446
Energy: 1.7177307706078493
Energy: 1.579849110502137
Energy: 1.3154050454235724
Energy: 1.3160509222157732
Energy: 1.315405045424775

minimum gb energy = 1.2620401216904045 eV
minimum distance =  2.32405049087016 Angstroms
sigma value = 25


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

Energy: 1.3955181299643797
Energy: 1.8558922989595064
Energy: 1.6582824329080892
Energy: 1.8558922989595064
Energy: 1.3653396680768213
Energy: 1.8231538484371108
Energy: 1.3410500962301195
Energy: 1.8231538484385983
Energy: 1.5718983957354338
Energy: 1.901002358759048
Energy: 1.3407595415979163
Energy: 1.901002358759048
Energy: 1.6316509352965411
Energy: 1.8037707733378001
Energy: 1.7409889978101492
Energy: 1.8037707733378001
Energy: 1.501897109973973
Energy: 1.5460941345329227
Energy: 1.646149821072674
Energy: 1.5460941345329227
Energy: 1.3451136159190429
Energy: 1.9091682579686318
Energy: 1.3414111535237212
Energy: 1.9091682579686318
Energy: 1.7297623040670285
Energy: 1.6173820487807453
Energy: 1.5713993129505248
Energy: 1.6173820487807453
Energy: 1.7544352508753567
Energy: 1.8580833598200344
Energy: 1.39575383858718
Energy: 1.8580833598200344
Energy: 1.3408195912248906
Energy: 1.630884356707661
Energy: 1.3669001491030155
Energy: 1.630884356707661
Energy: 1.6403549939307154
Energy: 1.665753084410846
Energy: 1.5714081180219985
Energy: 1.6657530844093587
Energy: 1.4144799755271633
Energy: 1.8558038695136534
Energy: 1.6542648584422326
Energy: 1.8558038695136534
Energy: 1.5419801935017956
Energy: 1.5705765658867572
Energy: 1.5723848435641468
Energy: 1.5705765658882445
Energy: 1.5426095905569
Energy: 1.842320608276375
Energy: 1.3408233623404733
Energy: 1.842320608276375
Energy: 1.541772358513892
Energy: 1.8036593131555076
Energy: 1.6331326429611022
Energy: 1.8036593131555076
Energy: 1.7137846240871517
Energy: 1.8562232601745823
Energy: 1.7220035467990913
Energy: 1.8562232601745823
Energy: 1.3650548760004027
Energy: 1.8397586237628434
Energy: 1.3417167684318545
Energy: 1.8397586237628434
Energy: 1.5708383080753803
Energy: 1.439076972255911
Energy: 1.6375482945080024
Energy: 1.4390769722544237

minimum gb energy = 1.3407595415979163 eV
minimum distance =  2.3103019261662 Angstroms
sigma value = 17


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

Energy: 1.6829028763279066
Energy: 1.7761116915127546
Energy: 1.7842371036579774
Energy: 1.7761116915119122
Energy: 1.601022638390198
Energy: 1.5743617804157746
Energy: 1.3960767375075966
Energy: 1.5743617804149321
Energy: 1.5256028836407467
Energy: 1.9029943511971577
Energy: 1.3964553419128884
Energy: 1.9029943511971577
Energy: 1.3978011478444323
Energy: 1.8777148612466386
Energy: 1.5740384165468688
Energy: 1.8777148612466386
Energy: 1.5809528739231085
Energy: 1.704843712021885
Energy: 1.5227267777582816
Energy: 1.704843712021885
Energy: 1.4206990763921539
Energy: 1.786071645066975
Energy: 1.5063498668920603
Energy: 1.786071645066975
Energy: 1.5651783444129312
Energy: 1.6268072692614122
Energy: 1.520606443784158
Energy: 1.6268072692614122
Energy: 1.507860696606189
Energy: 1.7752025615459925
Energy: 1.4196043619456025
Energy: 1.7752025615459925
Energy: 1.544196899911234
Energy: 1.7797079524781687
Energy: 1.587387419677098
Energy: 1.7797079524781687
Energy: 1.671487887480185
Energy: 1.637426817747892
Energy: 1.5242377145692723
Energy: 1.637426817747892
Energy: 1.4013419100824367
Energy: 1.7749881981445808
Energy: 1.5303267049746219
Energy: 1.7749881981445808
Energy: 1.5410822421340293
Energy: 1.6234969630733125
Energy: 1.5409934864050652
Energy: 1.6234969630733125
Energy: 1.5999823013917571
Energy: 1.7748626906804121
Energy: 1.6354878798461205
Energy: 1.7748626906812546
Energy: 1.3959488839117502
Energy: 1.8874044224437074
Energy: 1.602255991987134
Energy: 1.8874044224437074
Energy: 1.5107937472323087
Energy: 1.7249855057480878
Energy: 1.5909050812148535
Energy: 1.7249855057489303
Energy: 1.5255718416470587
Energy: 1.9221374156999993
Energy: 1.5076088341467646
Energy: 1.9221374156999993
Energy: 1.5204259852211077
Energy: 1.7238209856219042
Energy: 1.7057661532723931
Energy: 1.7238209856227464
Energy: 1.5296672186433615
Energy: 1.7555515267939084
Energy: 1.4207241923228222
Energy: 1.7555515267939084
Energy: 1.5178414874339055
Energy: 1.780034140358377
Energy: 1.6728411348878902
Energy: 1.7800341403575346
Energy: 1.618331963385494
Energy: 1.8955133464087148
Energy: 1.566958014156065
Energy: 1.8955133464087148
Energy: 1.4528552707441957
Energy: 1.7551386130249536
Energy: 1.5254222421525077
Energy: 1.755138613025796
Energy: 1.5261936824789686
Energy: 1.694864690065942
Energy: 1.7123097711913975
Energy: 1.6948646900650997
Energy: 1.629893259695445
Energy: 1.7751748862498715
Energy: 1.3959213657479754
Energy: 1.775174886249029
Energy: 1.5416106814338955
Energy: 1.7260699400624178
Energy: 1.7264763684336903
Energy: 1.726069940060733
Energy: 1.639784698473118
Energy: 1.902800382973207
Energy: 1.5861159729607612
Energy: 1.902800382973207
Energy: 1.7485875178140728
Energy: 1.775255506846884
Energy: 1.39728112798375
Energy: 1.775255506846884
Energy: 1.5231817320137466
Energy: 1.6953465692769112
Energy: 1.7179354689841078
Energy: 1.6953465692769112
Energy: 1.5062802744506063
Energy: 1.7863851891608227
Energy: 1.526747671239131
Energy: 1.7863851891608227
Energy: 1.66226651267829
Energy: 1.8977094708622795
Energy: 1.5655328152845314
Energy: 1.8977094708622795
Energy: 1.4195023014038373
Energy: 1.7784849681011032
Energy: 1.693498146397216
Energy: 1.7784849681019457

minimum gb energy = 1.3959213657479754 eV
minimum distance =  2.20956555990655 Angstroms
sigma value = 53


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

Energy: 1.3813173367423524
Energy: 1.381054317313348
Energy: 1.7237994673431771
Energy: 1.381054317313348
Energy: 1.6106199834664015
Energy: 1.591682522934897
Energy: 1.5572437046197132
Energy: 1.5916825229329574
Energy: 1.3820185558043898
Energy: 1.3809283784050705
Energy: 1.6487693920728879
Energy: 1.3809283784050705
Energy: 1.3821278850451422
Energy: 1.3809258004223663
Energy: 1.4613807013736475
Energy: 1.3809258004223663
Energy: 1.610528933960904
Energy: 1.591644746939279
Energy: 1.7665745410006577
Energy: 1.5916447469412185
Energy: 1.3813173367423524
Energy: 1.381054317313348
Energy: 1.7904165683299307
Energy: 1.381054317313348
Energy: 1.610619983468341
Energy: 1.5916825229329574
Energy: 1.5945279288342
Energy: 1.5916825229329574
Energy: 1.3820185558043898
Energy: 1.3809283784050705
Energy: 1.6487693632437677
Energy: 1.3809283784050705
Energy: 1.3821278850451422
Energy: 1.3809258004223663
Energy: 1.5347135926947453
Energy: 1.3809258004223663
Energy: 1.610528933960904
Energy: 1.5916447469412185
Energy: 1.5351538575220482
Energy: 1.591644746939279
Energy: 1.3813173367423524
Energy: 1.381054317313348
Energy: 1.7903590722432776
Energy: 1.381054317313348
Energy: 1.610619983468341
Energy: 1.5916825229329574
Energy: 1.5350476478350108
Energy: 1.5916825229329574
Energy: 1.3820185558043898
Energy: 1.3809283784050705
Energy: 1.64876936697925
Energy: 1.3809283784031314

minimum gb energy = 1.3809258004223663 eV
minimum distance =  2.30010893938062 Angstroms
sigma value = 9


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

Energy: 1.5244305391056265
Energy: 1.875040997849405
Energy: 1.8472427209109772
Energy: 1.875040997849405
Energy: 1.762489564517044
Energy: 1.5423293947190921
Energy: 1.5013701872945646
Energy: 1.5423293947190921
Energy: 1.4583328167670444
Energy: 1.8518770668733244
Energy: 1.4820330729002102
Energy: 1.8518770668733244
Energy: 1.5737726509641
Energy: 1.8874076733336034
Energy: 1.4736085655790836
Energy: 1.8874076733336034
Energy: 1.621394245515495
Energy: 1.5640054676678452
Energy: 1.4837179898023272
Energy: 1.5640054676678452
Energy: 1.5060782720945807
Energy: 1.5057248752129848
Energy: 1.5599870101651732
Energy: 1.5057248752129848
Energy: 1.8998332400211286
Energy: 1.5569381578912138
Energy: 1.501705649976211
Energy: 1.5569381578897783
Energy: 1.4748886349004977
Energy: 1.8904438297390331
Energy: 1.6655456223453609
Energy: 1.890443829739751
Energy: 1.46159626271251
Energy: 1.9355109681951672
Energy: 1.5058010601301524
Energy: 1.9355109681944496
Energy: 1.4594867044075617
Energy: 1.5383329905648107
Energy: 1.5028128850934899
Energy: 1.5383329905655283
Energy: 1.4771492457425628
Energy: 1.9135338017520998
Energy: 1.774466587811418
Energy: 1.9135338017520998
Energy: 1.7618548560691114
Energy: 2.0138026405457152
Energy: 1.5805362361215474
Energy: 2.0138026405457152
Energy: 1.4612784754752421
Energy: 1.914253510172328
Energy: 1.7634073034914426
Energy: 1.9142535101730458
Energy: 1.5794735629465504
Energy: 1.9140217761330376
Energy: 1.530832702064445
Energy: 1.9140217761337555
Energy: 1.5048977855581198
Energy: 1.7111688375088119
Energy: 1.695907601904165
Energy: 1.7111688375088119
Energy: 1.465052812743812
Energy: 1.9039828042328653
Energy: 1.5656306912081885
Energy: 1.9039828042321476
Energy: 1.6127325397175507
Energy: 1.7110517764480084
Energy: 1.5047607837702535
Energy: 1.711051776448726
Energy: 1.4804716009068242
Energy: 1.5568321414218529
Energy: 1.7268589960702518
Energy: 1.5568321414218529
Energy: 1.6963186188071022
Energy: 1.7482701635580344
Energy: 1.5085322304975328
Energy: 1.7482701635580344
Energy: 1.4898782911465493
Energy: 1.5597728910680817
Energy: 1.5781477356827198
Energy: 1.5597728910680817
Energy: 1.5813125435307145
Energy: 1.8855851447924847
Energy: 1.5757026425072336
Energy: 1.8855851447924847
Energy: 1.6359612659903622
Energy: 1.6111913117133172
Energy: 1.4591561214660949
Energy: 1.6111913117133172
Energy: 1.516237983689196
Energy: 1.745221241835189
Energy: 1.4615741515558116
Energy: 1.745221241835189
Energy: 1.79884426938782
Energy: 1.913951186114285
Energy: 1.4745494759100368
Energy: 1.9139511861150025
Energy: 1.5016417621262987
Energy: 2.0634428028308966
Energy: 1.830403249055001
Energy: 2.0634428028308966
Energy: 1.5107797064603155
Energy: 1.7255938999669935
Energy: 1.459022496691772
Energy: 1.7255938999655578
Energy: 1.7640594164427088
Energy: 1.7139026781409137
Energy: 1.5724870879504815
Energy: 1.7139026781409137
Energy: 1.5233650857891736
Energy: 1.887310016581276
Energy: 1.5734392514598299
Energy: 1.887310016581276
Energy: 1.5356804051160575
Energy: 1.725580013355665
Energy: 1.4581891462829022
Energy: 1.725580013355665
Energy: 1.501518911117937
Energy: 2.0857794474800935
Energy: 1.8329130385931494
Energy: 2.0857794474800935
Energy: 1.8207213231910477
Energy: 1.9139126839664438
Energy: 1.4738108181663763
Energy: 1.9139126839664438
Energy: 1.5050853930639159
Energy: 1.5583048867870848
Energy: 1.4593975717462098
Energy: 1.558304886786367
Energy: 1.5051654044773752
Energy: 1.7015045023481497
Energy: 1.4583081937581512
Energy: 1.7015045023474318
Energy: 1.573778683413134
Energy: 1.8870453244517376
Energy: 1.5735454909493214
Energy: 1.8870453244517376
Energy: 1.477487226309467
Energy: 1.7919477111876954
Energy: 1.9019168036906862
Energy: 1.7919477111869777

minimum gb energy = 1.4581891462829022 eV
minimum distance =  2.2961091138196 Angstroms
sigma value = 73


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

Energy: 1.5375312077885348
Energy: 1.5367881168285726
Energy: 1.8497936639976718
Energy: 1.5367881168285726
Energy: 1.5502540875406574
Energy: 1.6393044243800878
Energy: 1.5359631656425459
Energy: 1.6393044243812267
Energy: 1.5030646883997112
Energy: 1.8329657397333432
Energy: 1.499914185301351
Energy: 1.8329657397333432
Energy: 1.4638327231376318
Energy: 1.6395043208518127
Energy: 1.501620405394413
Energy: 1.6395043208518127
Energy: 1.4612986765158311
Energy: 1.612360090808073
Energy: 1.4955132601601144
Energy: 1.612360090808073
Energy: 1.5054367810393046
Energy: 1.8326306092992877
Energy: 1.6803574231255851
Energy: 1.8326306092992877
Energy: 1.8710462388130091
Energy: 1.7901539319090147
Energy: 1.5367316519031025
Energy: 1.7901539319090147
Energy: 1.4636521898127857
Energy: 1.832785523357667
Energy: 1.860215458233506
Energy: 1.832785523357667
Energy: 1.7134633528561565
Energy: 1.5372175562929935
Energy: 1.5366847236577312
Energy: 1.5372175562929935
Energy: 1.5347484736839256
Energy: 1.574967980337508
Energy: 1.5352830641344826
Energy: 1.574967980337508
Energy: 1.46093420575971
Energy: 1.832195282612604
Energy: 1.714076816562092
Energy: 1.8321952826137429
Energy: 1.7019728504286737
Energy: 1.620674386101205
Energy: 1.4637145568007304
Energy: 1.620674386101205
Energy: 1.5017993787693509
Energy: 1.603111251215471
Energy: 1.6508798146775245
Energy: 1.603111251215471
Energy: 1.8734452181938763
Energy: 1.806656794192206
Energy: 1.505410959175443
Energy: 1.806656794192206
Energy: 1.5061375850768615
Energy: 1.5832613186637332
Energy: 1.6567448617699736
Energy: 1.5832613186637332
Energy: 1.7129248053327861
Energy: 1.832159288142969
Energy: 1.4638717938139585
Energy: 1.832159288142969
Energy: 1.5365252667345917
Energy: 1.8142293267734253
Energy: 1.5029803376029864
Energy: 1.8142293267734253
Energy: 1.5367586149761152
Energy: 1.8327470217355406
Energy: 1.5348697378202147
Energy: 1.8327470217355406
Energy: 1.7095403511730691
Energy: 1.8324390152025218
Energy: 1.4609184850062746
Energy: 1.8324390152025218
Energy: 1.5354172725337067
Energy: 1.5832217773770219
Energy: 1.8716406980006404
Energy: 1.5832217773770219
Energy: 1.7651453886244328
Energy: 1.8408592785041749
Energy: 1.5028118790182854
Energy: 1.8408592785041749
Energy: 1.5354870665672553
Energy: 1.6099913940449075
Energy: 1.6523669096323697
Energy: 1.6099913940449075

minimum gb energy = 1.4609184850062746 eV
minimum distance =  2.26967419826737 Angstroms
sigma value = 7


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

Energy: 1.5772510038678997
Energy: 1.5773123038497352
Energy: 1.8812243685592278
Energy: 1.5773123038489298
Energy: 1.7612891003740287
Energy: 1.8132406099494864
Energy: 1.5399895687863623
Energy: 1.813240609951097
Energy: 1.5078972114272648
Energy: 1.817733694391524
Energy: 1.5368431231005308
Energy: 1.817733694391524
Energy: 1.4986598957117263
Energy: 1.646821947723215
Energy: 1.5492231804831353
Energy: 1.6468219477240205
Energy: 1.5198481988093948
Energy: 1.605758243138212
Energy: 1.5403058385331803
Energy: 1.6057582431374067
Energy: 1.5118946489448202
Energy: 1.7907853007475643
Energy: 1.7621356112511666
Energy: 1.7907853007475643
Energy: 1.7206931433096426
Energy: 1.8549887523278907
Energy: 1.5407631316864676
Energy: 1.8549887523295012
Energy: 1.5115624045396474
Energy: 1.5778246835464573
Energy: 1.8736461798513417
Energy: 1.5778246835464573
Energy: 1.6569838714799623
Energy: 1.797556232133231
Energy: 1.532909050034515
Energy: 1.7975562321324254
Energy: 1.5197137832920498
Energy: 1.6257497809558674
Energy: 1.7003833949999756
Energy: 1.6257497809550625
Energy: 1.494861180115086
Energy: 1.81705961876946
Energy: 1.5147803013680872
Energy: 1.81705961876946
Energy: 1.5691352627303439
Energy: 1.6063536897542894
Energy: 1.5109534528616317
Energy: 1.6063536897534842
Energy: 1.5766215653065507
Energy: 1.7960737334890977
Energy: 1.5145518122468438
Energy: 1.7960737334882924
Energy: 1.5373828886766736
Energy: 1.7743826972251122
Energy: 1.5106477856768135
Energy: 1.774382697224307
Energy: 1.5188066917772167
Energy: 1.7929927503148801
Energy: 1.8335311115127553
Energy: 1.7929927503156853
Energy: 1.7463514857673719
Energy: 1.5628914554986204
Energy: 1.5288184555372115
Energy: 1.5628914554994255
Energy: 1.528337391287771
Energy: 1.6210847159262607
Energy: 1.689390190736648
Energy: 1.6210847159278712
Energy: 1.5427483070101016
Energy: 1.7715894849741942
Energy: 1.5110978067442355
Energy: 1.7715894849766103
Energy: 1.5073908106365699
Energy: 1.8179471386857664
Energy: 1.514996132750385
Energy: 1.817947138684156
Energy: 1.519619416241884
Energy: 1.6063843677496887
Energy: 1.511582179076255
Energy: 1.6063843677488834
Energy: 1.4950218456968576
Energy: 2.001942989017759
Energy: 1.5324780223685162
Energy: 2.001942989018564
Energy: 1.525984611318002
Energy: 1.8142036073349403
Energy: 1.8759001553254728
Energy: 1.8142036073341352
Energy: 1.828266494793029
Energy: 1.7849500758198436
Energy: 1.5232773903097307
Energy: 1.7849500758198436
Energy: 1.5816346880389534
Energy: 1.577289549542805
Energy: 1.6798057903254364
Energy: 1.5772895495443788
Energy: 1.5617378958461423
Energy: 1.6062882972333261
Energy: 1.554267767926373
Energy: 1.6062882972333261
Energy: 1.4985878019579562
Energy: 1.8167669916657865
Energy: 1.5134805974601833
Energy: 1.8167669916673972
Energy: 1.6959489561404282
Energy: 1.650358266669199
Energy: 1.5552644879518545
Energy: 1.6503582666708096
Energy: 1.4983521162200661
Energy: 1.621687414157738
Energy: 1.5491581726168446
Energy: 1.6216874141585436
Energy: 1.5075186370556137
Energy: 1.5773548877121943
Energy: 1.6809867789446722
Energy: 1.577354887713805
Energy: 1.8151002086104562
Energy: 1.5651988584145187
Energy: 1.5384996003822116
Energy: 1.5651988584153238
Energy: 1.507492181869366
Energy: 1.5774104452989204
Energy: 1.8216673302354012
Energy: 1.57741044529731

minimum gb energy = 1.494861180115086 eV
minimum distance =  2.25889591009121 Angstroms
sigma value = 29


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

Energy: 1.577520241720405
Energy: 1.5228372470600144
Energy: 1.9660694913733592
Energy: 1.5228372470602638
Energy: 1.4855928354136194
Energy: 1.5606219421275178
Energy: 1.5755677286012417
Energy: 1.5606219197997113
Energy: 1.4403348905773108
Energy: 1.6177590025165376
Energy: 1.527386039544365
Energy: 1.6177590025162571
Energy: 1.575595962442022
Energy: 1.5780352055250835
Energy: 1.5571743330284396
Energy: 1.5780352055250835
Energy: 1.5780396614789247
Energy: 1.5786499405104881
Energy: 1.7135815685771068
Energy: 1.5786499405102388
Energy: 1.4400668834991115
Energy: 1.6185376199620107
Energy: 1.4400771211350771
Energy: 1.6185376199622603
Energy: 1.4897946793601922
Energy: 1.5786117475463008
Energy: 1.5780199257121237
Energy: 1.5786117475463008
Energy: 1.5571225430901543
Energy: 1.5785216414103895
Energy: 1.5756045194928308
Energy: 1.5785216413771974
Energy: 1.5274729001584935
Energy: 1.6176551583907806
Energy: 1.4402998434412742
Energy: 1.617655158391622

minimum gb energy = 1.4400668834991115 eV
minimum distance =  2.28711968614063 Angstroms
sigma value = 5


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

Energy: 1.4920519605055085
Energy: 1.4770182275500758
Energy: 1.7841678898100455
Energy: 1.477018227551597
Energy: 1.656595825204114
Energy: 1.4619836291748303
Energy: 1.4447725417159185
Energy: 1.4619836291763515
Energy: 1.4283916836085624
Energy: 1.4625249358176644
Energy: 1.7415545814268691
Energy: 1.462524935818425
Energy: 1.4292584135855364
Energy: 1.450848044225321
Energy: 1.4699050391819424
Energy: 1.4508480442260818
Energy: 1.4560757773216457
Energy: 1.5269601330474236
Energy: 1.6832272206471266
Energy: 1.5269601330489453
Energy: 1.4897567814446868
Energy: 1.476367127790767
Energy: 1.4411850576180205
Energy: 1.4763671277900063
Energy: 1.4464414056378774
Energy: 1.5342553976674673
Energy: 1.438056788704371
Energy: 1.5342553976682283
Energy: 1.4483536705553697
Energy: 1.5189286813888574
Energy: 1.4254961635209233
Energy: 1.5189286813880967
Energy: 1.4530753860320327
Energy: 1.6334845980330073
Energy: 1.48005991119099
Energy: 1.6334845980345285
Energy: 1.457993497655015
Energy: 1.5227389975161303
Energy: 1.4417642620165279
Energy: 1.5227389975161303
Energy: 1.4152258776749342
Energy: 1.7098395470234358
Energy: 1.431884753057925
Energy: 1.709839547022675
Energy: 1.4551888453943542
Energy: 1.7394255991903256
Energy: 1.605292952035435
Energy: 1.7394255991895649
Energy: 1.50202729349108
Energy: 1.475412353491836
Energy: 1.48196160566944
Energy: 1.4754123534933574
Energy: 1.4530637512404907
Energy: 1.5920195631498746
Energy: 1.781720482200013
Energy: 1.592019563150635
Energy: 1.8168488010856576
Energy: 1.4505517059984183
Energy: 1.44178530792853
Energy: 1.4505517059976576
Energy: 1.46746552715293
Energy: 1.461925945520722
Energy: 1.6794666563362715
Energy: 1.4619259455222433
Energy: 1.6826206092394185
Energy: 1.4559510243718403
Energy: 1.4287664874141177
Energy: 1.4559510243718403
Energy: 1.4550590861514237
Energy: 1.4750899258367007
Energy: 1.5529200351080528
Energy: 1.4750899258374615
Energy: 1.4534315511151512
Energy: 1.535653481860142
Energy: 1.442320357741582
Energy: 1.5356534818593814
Energy: 1.4198849051484015
Energy: 1.5796897960251404
Energy: 1.4880788462666572
Energy: 1.5796897960251404
Energy: 1.4119786096017162
Energy: 1.6291696069052404
Energy: 1.4596332268321073
Energy: 1.6291696069044797
Energy: 1.4446849900171317
Energy: 1.5283054506538645
Energy: 1.4522263493635752
Energy: 1.5283054506538645
Energy: 1.433762319311176
Energy: 1.6851566314967776
Energy: 1.4201264926147932
Energy: 1.6851566314967776
Energy: 1.609611433865679
Energy: 1.5255084110767525
Energy: 1.4200903641727078
Energy: 1.5255084110767525
Energy: 1.6030715707914165
Energy: 1.6410630175059016
Energy: 1.4173338834566747
Energy: 1.641063017506662
Energy: 1.4733118957840052
Energy: 1.5911899743811162
Energy: 1.4657780136001766
Energy: 1.5911899743803555
Energy: 1.4507682154388222
Energy: 1.4443109059421972
Energy: 1.571434756346969
Energy: 1.4443109059444794
Energy: 1.477608816634875
Energy: 1.450821994901726
Energy: 1.4659880246255663
Energy: 1.450821994924546
Energy: 1.4274917354167813
Energy: 1.458115046761397
Energy: 1.8480815140892954
Energy: 1.458115046761397
Energy: 1.7435567259632516
Energy: 1.4749799572604823
Energy: 1.4599437607728356
Energy: 1.4749799572604823
Energy: 1.4419186007680658
Energy: 1.4672670387581308
Energy: 1.5937667162378952
Energy: 1.4672670387581308
Energy: 1.698540885741736
Energy: 1.7565141284865948
Energy: 1.438353064433953
Energy: 1.756514128488116
Energy: 1.470556730681771
Energy: 1.4514637852218062
Energy: 1.4073043893561843
Energy: 1.4514637852202852

minimum gb energy = 1.4073043893561843 eV
minimum distance =  2.27437827801458 Angstroms
sigma value = 1


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

Energy: 1.4035731850259088
Energy: 1.403328505582594
Energy: 1.862239498121817
Energy: 1.4033285055846976
Energy: 1.7617273103010858
Energy: 1.3730377637842928
Energy: 1.3917299671801928
Energy: 1.3730377637853444
Energy: 1.3517492872101091
Energy: 1.403945636859796
Energy: 1.9532863975333548
Energy: 1.403945636859796
Energy: 1.3723935494771633
Energy: 1.3730082609790921
Energy: 1.379009990273867
Energy: 1.3730082609780403
Energy: 1.3473212405992163
Energy: 1.7327035543228926
Energy: 1.685538495826967
Energy: 1.7327035543228926
Energy: 1.3506921299054915
Energy: 1.699562968408208
Energy: 1.3803154120483574
Energy: 1.6995629684061044
Energy: 1.350675734312353
Energy: 1.492174297781463
Energy: 1.4087165286349885
Energy: 1.492174297781463
Energy: 1.3506916003164582
Energy: 1.461877160762608
Energy: 1.4189233247399544
Energy: 1.4618771607636596
Energy: 1.4028991486330618
Energy: 1.4617620091927221
Energy: 1.4392777561806642
Energy: 1.4617620091916705
Energy: 1.40296989418134
Energy: 1.4634729672792142
Energy: 1.4395705623580588
Energy: 1.4634729672792142
Energy: 1.3505824494904175
Energy: 1.4650149805494608
Energy: 1.4281302691235074
Energy: 1.4650149805494608
Energy: 1.3506208170384832
Energy: 1.492059084947498
Energy: 1.4217374744892999
Energy: 1.4920590849485496
Energy: 1.3509200823367373
Energy: 1.6993721228231906
Energy: 1.3800823393635073
Energy: 1.6993721228242424
Energy: 1.3472183221299094
Energy: 1.732743331894729
Energy: 1.6032110774153632
Energy: 1.732743331894729
Energy: 1.3727742425910556
Energy: 1.3730689148711237
Energy: 1.3804504993849136
Energy: 1.3730689148711237
Energy: 1.3517851876273417
Energy: 1.4038576811689942
Energy: 1.7972408382828444
Energy: 1.4038576811700463
Energy: 1.7616560686336906
Energy: 1.3731727820143262
Energy: 1.3917125265666774
Energy: 1.373172782015378
Energy: 1.4035731850259088
Energy: 1.403328505582594
Energy: 1.4553424907987385
Energy: 1.4033285055836457
Energy: 1.7617273103021374
Energy: 1.3730377637853444
Energy: 1.3917299671801928
Energy: 1.3730377637842928
Energy: 1.3517492872111607
Energy: 1.403945636859796
Energy: 1.9532863975333548
Energy: 1.403945636859796
Energy: 1.3723935494761115
Energy: 1.3730082609790921
Energy: 1.3790099902728152
Energy: 1.3730082609780403
Energy: 1.3473212405992163
Energy: 1.7327035543228926
Energy: 1.685538495826967
Energy: 1.7327035543228926
Energy: 1.3506921299054915
Energy: 1.6995629684071563
Energy: 1.3803154120483574
Energy: 1.6995629684071563
Energy: 1.3506757343113014
Energy: 1.492174297781463
Energy: 1.4087165286349885
Energy: 1.492174297781463

minimum gb energy = 1.3472183221299094 eV
minimum distance =  2.26538121358437 Angstroms
sigma value = 17


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

Energy: 1.3662486610845752
Energy: 1.3668074172102889
Energy: 1.8421434948595383
Energy: 1.3668074172115892
Energy: 1.823926085134553
Energy: 1.3602376182443359
Energy: 1.3433390456726362
Energy: 1.360237618245636
Energy: 1.3409432791558502
Energy: 1.3521968654270562
Energy: 1.7208774701160512
Energy: 1.3521968654270562
Energy: 1.41005495250271
Energy: 1.3351669754865514
Energy: 1.3390459573089812
Energy: 1.3351669754859012
Energy: 1.355145156286616
Energy: 1.368560156489829
Energy: 1.711532977163366
Energy: 1.3685601564865788
Energy: 1.3503716313443273
Energy: 1.3477571683364327
Energy: 1.3539346309406342
Energy: 1.3477571683364327
Energy: 1.3594735249079373
Energy: 1.5960808126186168
Energy: 1.3784620862150625
Energy: 1.5960808126186168
Energy: 1.3426753257794195
Energy: 1.5854598848855186
Energy: 1.3510100344482814
Energy: 1.5854598848848687
Energy: 1.3628553351636226
Energy: 1.4015387426038446
Energy: 1.4116680848460084
Energy: 1.4015387426051447
Energy: 1.3884645029581717
Energy: 1.401646911673291
Energy: 1.3492567192978249
Energy: 1.4016469116739412
Energy: 1.338982555987142
Energy: 1.378448171188798
Energy: 1.3781646161916077
Energy: 1.3784481711881478
Energy: 1.3470616984704484
Energy: 1.4027843913389653
Energy: 1.3541461636774828
Energy: 1.4027843913396152
Energy: 1.3474965929540037
Energy: 1.581153706173724
Energy: 1.3627646158579576
Energy: 1.581153706173724
Energy: 1.3535698324174348
Energy: 1.6155420728481407
Energy: 1.393949692469958
Energy: 1.6155420728481407
Energy: 1.378217388018349
Energy: 1.3399923857404614
Energy: 1.3749868803004615
Energy: 1.3399923857404614
Energy: 1.3447329325966146
Energy: 1.3529165710286284
Energy: 1.7089928114835988
Energy: 1.3529165710279787
Energy: 1.386592879046062
Energy: 1.3419473560386908
Energy: 1.3427525197850516
Energy: 1.3419473560386908
Energy: 1.3349384701893505
Energy: 1.3668456160943925
Energy: 1.3665660214899749
Energy: 1.3668456160943925
Energy: 1.5592374860341383
Energy: 1.3472487571541925
Energy: 1.3438700580030165
Energy: 1.3472487571535423
Energy: 1.349519796046133
Energy: 1.3526140934058752
Energy: 1.6167935915861447
Energy: 1.3526140934052253
Energy: 1.8611531449424135
Energy: 1.3498424799722368
Energy: 1.3581956117545162
Energy: 1.3498424799702866
Energy: 1.3588929475234524
Energy: 1.366846636897595
Energy: 1.8620672748589375
Energy: 1.3668466368982448
Energy: 1.5403288854925417
Energy: 1.348523758049253
Energy: 1.3511476992511005
Energy: 1.3485237580479528
Energy: 1.3427463783835223
Energy: 1.350817418653442
Energy: 1.5619696899171547
Energy: 1.350817418654092
Energy: 1.3738439553254118
Energy: 1.3670768802971778
Energy: 1.3364531486312157
Energy: 1.3670768802965276
Energy: 1.365156894214145
Energy: 1.4234894848454283
Energy: 1.383999827301671
Energy: 1.4234894848454283
Energy: 1.5437762123053047
Energy: 1.3949149510178556
Energy: 1.3467716790075417
Energy: 1.3949149510191556
Energy: 1.3774366802103262
Energy: 1.5739766782444946
Energy: 1.4019619259566982
Energy: 1.5739766782431945
Energy: 1.3657924143246674
Energy: 1.4203457534711497
Energy: 1.3948479560293814
Energy: 1.4203457534698496
Energy: 1.365177079219105
Energy: 1.581192239151619
Energy: 1.3998234560455103
Energy: 1.581192239151619
Energy: 1.3517559754175938
Energy: 1.420820556600247
Energy: 1.3343828465259886
Energy: 1.4208205566015473
Energy: 1.3803882812177506
Energy: 1.3789443668775516
Energy: 1.3379167650467818
Energy: 1.378944366878852
Energy: 1.34656610546672
Energy: 1.4028438317595007
Energy: 1.563411372692487
Energy: 1.4028438317588507
Energy: 1.4050138993752903
Energy: 1.5925925577889755
Energy: 1.3552733131856105
Energy: 1.5925925577883255
Energy: 1.3498558569337122
Energy: 1.3673219521706852
Energy: 1.3771790778443163
Energy: 1.3673219521706852
Energy: 1.40385610100471
Energy: 1.5961856236452354
Energy: 1.3609199708379733
Energy: 1.5961856236452354
Energy: 1.3512272165790884
Energy: 1.3477708710176275
Energy: 1.3516129311636624
Energy: 1.347770871020228
Energy: 1.7059824499231313
Energy: 1.368413428141992
Energy: 1.3448359590817474
Energy: 1.3684134281439424

minimum gb energy = 1.3343828465259886 eV
minimum distance =  2.25888268675911 Angstroms
sigma value = 89


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

Energy: 1.5355560877793124
Energy: 1.494960643555055
Energy: 1.5928749237811943
Energy: 1.494960643555055
Energy: 1.6484687852422568
Energy: 1.2433791586844143
Energy: 1.2414096172089597
Energy: 1.2433791586844143
Energy: 1.2501107171641646
Energy: 1.6932616287358133
Energy: 1.8491977001497026
Energy: 1.6932616287358133
Energy: 1.2944748061317686
Energy: 1.2835425890414773
Energy: 1.2490195722696078
Energy: 1.2835425890414773
Energy: 1.218747748687796
Energy: 1.2075018158633166
Energy: 1.6944761440984102
Energy: 1.2075018158633166
Energy: 1.242408210639493
Energy: 1.2078870360260927
Energy: 1.2102048423817622
Energy: 1.2078870360260927
Energy: 1.2440412014474242
Energy: 1.3669678471033944
Energy: 1.2072099696988967
Energy: 1.3669678471033944
Energy: 1.2227536792216016
Energy: 1.6927136804660328
Energy: 1.2489730105535368
Energy: 1.6927136804643321
Energy: 1.2486185752746348
Energy: 1.2857353635634259
Energy: 1.57916026340696
Energy: 1.285735363561725
Energy: 1.2830761683186096
Energy: 1.2075676737442793
Energy: 1.218771044686631
Energy: 1.2075676737408771
Energy: 1.5302721896825981
Energy: 1.2400602084260108
Energy: 1.2655396483364125
Energy: 1.2400602084260108
Energy: 1.5301652765866158
Energy: 1.3640766797449917
Energy: 1.2425184876786386
Energy: 1.3640766797449917
Energy: 1.2485797237365919
Energy: 1.2088004011834197
Energy: 1.2419227429318567
Energy: 1.2088004011834197
Energy: 1.248803865252716
Energy: 1.2835797783522866
Energy: 1.2486034486553943
Energy: 1.2835797783522866
Energy: 1.2660479079205917
Energy: 1.2073824165130047
Energy: 1.2722967119479334
Energy: 1.2073824165147056

minimum gb energy = 1.2072099696988967 eV
minimum distance =  2.27647337406888 Angstroms
sigma value = 13


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

Energy: 1.1579275624050065
Energy: 1.5518452730884755
Energy: 1.551935216948485
Energy: 1.5518452730870498
Energy: 1.7688859659116252
Energy: 1.5744215884587451
Energy: 1.1238600185131828
Energy: 1.5744215884558934
Energy: 1.1327383693547055
Energy: 1.3468512905992798
Energy: 1.4094911032065973
Energy: 1.3468512905636336
Energy: 1.4067614534976298
Energy: 1.5742711460099705
Energy: 1.1210201608378143
Energy: 1.5742711460099705
Energy: 1.1377898281956245
Energy: 1.3796935065012816
Energy: 1.5775027534930275
Energy: 1.3796935065019946
Energy: 1.337268394885393
Energy: 1.3666454768512906
Energy: 1.1368207780612802
Energy: 1.366645476848439
Energy: 1.1381418870694073
Energy: 1.5819579998100186
Energy: 1.5394267571233937
Energy: 1.5819579998100186
Energy: 1.1468665378483105
Energy: 1.6449907448115517
Energy: 1.1368352581768726
Energy: 1.6449907448108385
Energy: 1.1377362840148306
Energy: 1.5794912223614377
Energy: 1.5447380955857115
Energy: 1.5794912223657152
Energy: 1.4195363407926014
Energy: 1.4034615620003754
Energy: 1.1210937563191672
Energy: 1.4034615620003754
Energy: 1.1377919934114156
Energy: 1.398963136690886
Energy: 1.1400476587319615
Energy: 1.3989631366937374
Energy: 1.585099318266898
Energy: 1.4033581941975313
Energy: 1.1270624351895842
Energy: 1.4033581941953923
Energy: 1.1683184037221586
Energy: 1.3581565875206505
Energy: 1.12770902978405
Energy: 1.358156587518512
Energy: 1.6053565444817084
Energy: 1.3996686765294046
Energy: 1.1270139778609753
Energy: 1.39966867652584
Energy: 1.137691873603553
Energy: 1.348493671490088
Energy: 1.1590923710156678
Energy: 1.3484957185019266
Energy: 1.154544454080914
Energy: 1.4002127689527226
Energy: 1.129837032519433
Energy: 1.4002127689534354
Energy: 1.1456758519337327
Energy: 1.7158510312669444
Energy: 1.124522357490555
Energy: 1.7158510312669444
Energy: 1.131735171051525
Energy: 1.5760591734190161
Energy: 1.1469806950203563
Energy: 1.5760591734225806
Energy: 1.1444167451285552
Energy: 1.57745500076163
Energy: 1.1470750417992888
Energy: 1.57745500076163
Energy: 1.1440880316277906
Energy: 1.57693873130696
Energy: 1.1470602015242466
Energy: 1.576938731306247
Energy: 1.1318129266138424
Energy: 1.5772482396682697
Energy: 1.1469554976298908
Energy: 1.5772482396696954
Energy: 1.1457367405688974
Energy: 1.7158429131334947
Energy: 1.1245860452853926
Energy: 1.7158429131334947
Energy: 1.1546927696888305
Energy: 1.399504195900287
Energy: 1.129837807818906
Energy: 1.3995041959929662
Energy: 1.1376987133148617
Energy: 1.3483192084768796
Energy: 1.1451614016468088
Energy: 1.3483192084768796
Energy: 1.6057450550989985
Energy: 1.3999971365612003
Energy: 1.127513024309388
Energy: 1.3999971365590613
Energy: 1.168332794291745
Energy: 1.3581921135148058
Energy: 1.1440736532783704
Energy: 1.35819211351338
Energy: 1.5851913129378137
Energy: 1.4039578556280388
Energy: 1.1271117013639518
Energy: 1.4039578556494263
Energy: 1.1377907460642676
Energy: 1.3995024225696366
Energy: 1.138937444376369
Energy: 1.3995024225667847
Energy: 1.4191465592817625
Energy: 1.4031305710080264
Energy: 1.1210737749581143
Energy: 1.4031305710115909
Energy: 1.137874215010912
Energy: 1.5797177426571372
Energy: 1.5447668819475164
Energy: 1.5797177426564244
Energy: 1.1472087828259647
Energy: 1.3712355389583744
Energy: 1.136944414772138
Energy: 1.3712355394407596
Energy: 1.1381319085383714
Energy: 1.5815224332340891
Energy: 1.7482981592850648
Energy: 1.5815224332355151
Energy: 1.337348624061844
Energy: 1.3670844691682915
Energy: 1.1369076672504659
Energy: 1.3670844691675785
Energy: 1.1377886004179043
Energy: 1.379733005151174
Energy: 1.581308599614096
Energy: 1.3797330049573906
Energy: 1.4077055978388067
Energy: 1.574889850285271
Energy: 1.1209722606904517
Energy: 1.5748898502845583

minimum gb energy = 1.1209722606904517 eV
minimum distance =  2.16054750980461 Angstroms
sigma value = 37


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

Energy: 1.0532064489587063
Energy: 1.052625405899939
Energy: 1.0254286673955595
Energy: 1.052625405899939
Energy: 1.7528493290888947
Energy: 1.3984164459013753
Energy: 1.0139080764318376
Energy: 1.3984164459026018
Energy: 1.0231633538781997
Energy: 1.4351837941708587
Energy: 1.4182978268723176
Energy: 1.4351837941708587
Energy: 1.012229035301061
Energy: 1.398465217322659
Energy: 1.0139350569871575
Energy: 1.398465217322659
Energy: 1.0127064615986987
Energy: 1.3978812071126379
Energy: 1.8961091583370862
Energy: 1.397881207111411
Energy: 1.0146341872288103
Energy: 1.3984327923659354
Energy: 1.0090195368525898
Energy: 1.3984327923659354
Energy: 1.039961865306901
Energy: 1.799178139923765
Energy: 1.3877781335756403
Energy: 1.799178139923765
Energy: 1.0123683720095606
Energy: 1.053165689448518
Energy: 1.0557181966360858
Energy: 1.0531656894497443
Energy: 1.0128383378046268
Energy: 1.3982243754317254
Energy: 1.3879338159874042
Energy: 1.3982243754317254
Energy: 1.5221118895427388
Energy: 1.4227646792043067
Energy: 1.0091648759092426
Energy: 1.4227646792043067
Energy: 1.0400144661901225
Energy: 1.797362907133723
Energy: 1.0124650315216197
Energy: 1.797362907133723
Energy: 1.4817891654702715
Energy: 1.3982140517392645
Energy: 1.0140201503271564
Energy: 1.398214051740491
Energy: 1.0061867267276894
Energy: 1.39936836302409
Energy: 1.0207348106737595
Energy: 1.39936836302409
Energy: 1.3878587857307432
Energy: 1.796118482958157
Energy: 1.0122848929408381
Energy: 1.7961184829593835
Energy: 1.0524524814723122
Energy: 1.094772808037617
Energy: 1.012333282187438
Energy: 1.094772808037617
Energy: 1.0526664961895267
Energy: 1.3986748636893716
Energy: 1.0142033257121443
Energy: 1.3986748636893716
Energy: 1.0061255951022392
Energy: 1.730532935258242
Energy: 1.0366150430494732
Energy: 1.730532935258242
Energy: 1.0062477435489516
Energy: 1.7962082309400493
Energy: 1.0123803105004625
Energy: 1.7962082309400493
Energy: 1.0139890195506431
Energy: 1.3998194792958436
Energy: 1.0064917355182166
Energy: 1.3998194792958436
Energy: 1.01233930021617
Energy: 1.3985213662117852
Energy: 1.0060904488913323
Energy: 1.3985213662117852

minimum gb energy = 1.0060904488913323 eV
minimum distance =  2.1989095601719 Angstroms
sigma value = 25


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

Energy: 0.9389155722876612
Energy: 1.4487672183130107
Energy: 1.594091921535262
Energy: 1.4487672183110951
Energy: 1.739027687197344
Energy: 1.4680374649592738
Energy: 0.8969669719946332
Energy: 1.4680374649592738
Energy: 0.8929005541935218
Energy: 0.8928234434552408
Energy: 1.8265457409358106
Energy: 0.8928234434552408
Energy: 1.1769379997992078
Energy: 1.4681506752327187
Energy: 0.8969435272233681
Energy: 1.4681506752327187
Energy: 0.8988663183176147
Energy: 1.4682256520246137
Energy: 1.74015589423919
Energy: 1.4682256520246137
Energy: 0.8744271822347058
Energy: 1.4675542108229773
Energy: 0.8969202782411934
Energy: 1.4675542108229773
Energy: 0.8994048609894484
Energy: 1.175971465547283
Energy: 1.2777725753967708
Energy: 1.175971465547283
Energy: 1.1840266550675715
Energy: 1.2216015394655275
Energy: 0.8944014491791505
Energy: 1.2216015394645696
Energy: 0.8988687977593682
Energy: 1.4677396990569889
Energy: 1.4397231881989916
Energy: 1.4677396990560312
Energy: 0.8748997652805587
Energy: 1.4457072691433144
Energy: 0.9404675788889922
Energy: 1.4457072691433144
Energy: 0.8992784648739808
Energy: 1.1760420053605936
Energy: 1.5132485367052515
Energy: 1.1760420053605936
Energy: 1.2918723520832311
Energy: 1.550897467376483
Energy: 0.8946089236315734
Energy: 1.550897467376483
Energy: 0.898907524438684
Energy: 1.4677417776294235
Energy: 1.1763391849139817
Energy: 1.4677417776303814
Energy: 1.2749687535493972
Energy: 1.5084921480753855
Energy: 0.9000299295665274
Energy: 1.5084921480744276
Energy: 0.8995121935036732
Energy: 1.1757784579879287
Energy: 0.8744357406845545
Energy: 1.1757784579879287
Energy: 1.2890274321365205
Energy: 1.5512357199012936
Energy: 0.8977025901315401
Energy: 1.5512357199012936
Energy: 0.8988027678036804
Energy: 1.220735560590889
Energy: 0.8782297407790871
Energy: 1.220735560590889
Energy: 1.2351514367190983
Energy: 1.467223473500297
Energy: 0.8970586618385814
Energy: 1.467223473500297
Energy: 0.9444693674788334
Energy: 1.4454182600648238
Energy: 0.874664132166388
Energy: 1.4454182600648238
Energy: 1.5130863806009982
Energy: 1.5075116185728235
Energy: 0.8979182972875931
Energy: 1.5075116185747388
Energy: 0.8989487381429211
Energy: 1.5492627613803451
Energy: 0.8746645211998526
Energy: 1.5492627613803451
Energy: 0.8928505461528304
Energy: 1.4671791384966733
Energy: 0.9002929117010056
Energy: 1.4671791384966733
Energy: 0.8994887220223828
Energy: 1.5069740455943537
Energy: 1.2792575995934483
Energy: 1.5069740455943537
Energy: 0.8701260989740371
Energy: 1.5072383405593086
Energy: 0.8978362507446083
Energy: 1.5072383405593086
Energy: 0.8977685315421147
Energy: 1.549201038212591
Energy: 1.2899233644951182
Energy: 1.549201038212591
Energy: 0.8745954090660184
Energy: 1.221134914197869
Energy: 0.8995308118252301
Energy: 1.2211349141969112

minimum gb energy = 0.8701260989740371 eV
minimum distance =  2.1769487594708 Angstroms
sigma value = 41


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

Energy: 1.3523399944835326
Energy: 1.2793500605563022
Energy: 1.255399288376772
Energy: 1.2793500605555168
Energy: 1.7160119484945628
Energy: 1.2647072135286583
Energy: 0.788808705225837
Energy: 1.2647072135286583
Energy: 0.8104587662503625
Energy: 1.2533146931477936
Energy: 1.0312531143418961
Energy: 1.2533146931477936
Energy: 1.6796090581952643
Energy: 1.2658992384638352
Energy: 0.7886721591966206
Energy: 1.265899238462265
Energy: 0.7845140405415106
Energy: 1.2972600131522767
Energy: 0.8199164172088066
Energy: 1.2972600131514913
Energy: 1.1214644182889075
Energy: 1.2646667379795629
Energy: 0.7887574563416327
Energy: 1.2646667379779923
Energy: 0.7880507991872773
Energy: 1.2654439026444217
Energy: 1.175767923806014
Energy: 1.2654439026436368
Energy: 0.776129074095374
Energy: 1.0484522952600206
Energy: 0.7852887544231919
Energy: 1.0484522952600206
Energy: 0.791006592025081
Energy: 1.3459145890195567
Energy: 1.5790617248941914
Energy: 1.3459145890203417
Energy: 1.0242985399632751
Energy: 1.2518538363129876
Energy: 0.8114396096290875
Energy: 1.2518538363122025
Energy: 0.7880081284543995
Energy: 1.2643742796886437
Energy: 1.5222285721538065
Energy: 1.2643742796886437
Energy: 0.7764133573841014
Energy: 1.277296455160192
Energy: 1.352846149051041
Energy: 1.2772964551609771
Energy: 0.791325745933675
Energy: 1.3507099782257286
Energy: 1.706720898362455
Energy: 1.3507099782249432
Energy: 1.124671063579554
Energy: 1.409203390743729
Energy: 0.8112478761339247
Energy: 1.4092033907445143
Energy: 0.7878545275895705
Energy: 1.2640996588435058
Energy: 1.3033118418881546
Energy: 1.2640996588435058
Energy: 1.1144855905207447
Energy: 1.3442198428844243
Energy: 0.7853700297770692
Energy: 1.3442198428844243
Energy: 0.7911989101881692
Energy: 1.3510724535983094
Energy: 1.1542638408839518
Energy: 1.35107245359988
Energy: 1.1083870593169396
Energy: 1.4095390751771655
Energy: 0.7888187439211369
Energy: 1.4095390751771655
Energy: 0.7878988638489195
Energy: 1.0480273462605998
Energy: 0.7759761071340648
Energy: 1.0480273462598144
Energy: 1.1128246019033243
Energy: 1.343719150389075
Energy: 0.7947868426933482
Energy: 1.3437191503898602
Energy: 0.8138949228490027
Energy: 1.351195340929231
Energy: 0.7781472909800313
Energy: 1.3511953409284456
Energy: 1.531367185849831
Energy: 1.4244541156927146
Energy: 0.7889444309806024
Energy: 1.4244541156919293
Energy: 1.340711543728393
Energy: 1.2770448479942567
Energy: 0.7763739831786096
Energy: 1.2770448479934713
Energy: 1.323250645384692
Energy: 1.3489359731777728
Energy: 0.7906705704350239
Energy: 1.3489359731777728
Energy: 0.8141877980163957
Energy: 1.4088118667601297
Energy: 0.7832618481306194
Energy: 1.4088118667601297
Energy: 1.3033610086009457
Energy: 1.4259625298366432
Energy: 0.7888935058585042
Energy: 1.4259625298366432
Energy: 0.788009048357627
Energy: 1.3499343664634393
Energy: 1.1221428453988134
Energy: 1.349934366462654
Energy: 0.7851298465282321
Energy: 1.3491617234715325
Energy: 0.7951078747359019
Energy: 1.3491617234715325
Energy: 0.7914933060644561
Energy: 1.4084280630754977
Energy: 1.1089234975280187
Energy: 1.4084280630747124
Energy: 0.7719812048020677
Energy: 1.3837080935277064
Energy: 0.7919310766107343
Energy: 1.3837080935277064
Energy: 0.7937727614843956
Energy: 1.3495912079222123
Energy: 1.1250541179722666
Energy: 1.3495912079222123
Energy: 0.7755365622754475
Energy: 1.3506844068878054
Energy: 0.8179527972234786
Energy: 1.3506844068885906

minimum gb energy = 0.7719812048020677 eV
minimum distance =  2.16124114718999 Angstroms
sigma value = 15


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

Energy: 1.2014888407161342
Energy: 1.2535835357869036
Energy: 1.1921510335220487
Energy: 1.2535835357875689
Energy: 1.7032012226844535
Energy: 1.1898792399870635
Energy: 0.7239866958608355
Energy: 1.189879239985733
Energy: 0.7454248803978241
Energy: 1.126052098069085
Energy: 1.4085049702741828
Energy: 1.126052098069085
Energy: 1.6288334636892934
Energy: 1.1899817570702238
Energy: 0.7242978013718896
Energy: 1.1899817570702238
Energy: 0.7214769497304974
Energy: 1.4442101743939013
Energy: 0.7411046651186141
Energy: 1.4442101743958968
Energy: 1.2345780665219515
Energy: 1.197768456913168
Energy: 0.7243654002998322
Energy: 1.197768456913168
Energy: 0.7236171309970366
Energy: 1.1377519116314725
Energy: 1.0863766891335809
Energy: 1.1377519116301418
Energy: 1.0036310069975547
Energy: 1.1364570475164333
Energy: 0.7240805693122495
Energy: 1.1364570475164333
Energy: 0.7257704852208048
Energy: 1.2624104851855922
Energy: 1.2384830832126843
Energy: 1.2624104851862574
Energy: 0.7006873888533088
Energy: 1.200823934093682
Energy: 0.7221273422810247
Energy: 1.200823934093682
Energy: 0.7236859796265602
Energy: 1.1995337499996093
Energy: 1.4221738561287673
Energy: 1.1995337499996093
Energy: 0.9088169470230985
Energy: 1.1247446582029574
Energy: 0.7460046638738239
Energy: 1.1247446582029574
Energy: 0.7257442402352321
Energy: 1.273362184824687
Energy: 1.5441977680493908
Energy: 1.2733621848253522
Energy: 0.701080455693821
Energy: 1.2638890490667711
Energy: 1.2019497486468256
Energy: 1.2638890490661059
Energy: 0.7237518834632901
Energy: 1.2065326230649764
Energy: 1.51361480671022
Energy: 1.2065326230643112
Energy: 1.0144273125927386
Energy: 1.1254897041916123
Energy: 0.7460019045883339
Energy: 1.125489704187621
Energy: 0.7258284876386558
Energy: 1.272342500586007
Energy: 1.3376084431582937
Energy: 1.2723425005853417
Energy: 1.0064873289131901
Energy: 1.269188862620424
Energy: 0.7221139274294485
Energy: 1.269188862620424
Energy: 0.7238489223385345
Energy: 1.1994846857461323
Energy: 1.1500504892780814
Energy: 1.199484685748793
Energy: 0.9894865844467731
Energy: 1.1980040567529255
Energy: 0.72413679290278
Energy: 1.1980040567535908
Energy: 0.7257591698528418
Energy: 1.2274487135882954
Energy: 0.9191429443746926
Energy: 1.2274487135882954
Energy: 0.9942595022100187
Energy: 1.266200178603251
Energy: 0.7285785282833477
Energy: 1.266200178602586
Energy: 0.7237912950876426
Energy: 1.1993890959215696
Energy: 0.7008955912619267
Energy: 1.1993890959209046
Energy: 1.4062484770068306
Energy: 1.1983211992751635
Energy: 0.7242305446481305
Energy: 1.1983211992758287
Energy: 0.7475582383173579
Energy: 1.2263216956563652
Energy: 0.7034783470326654
Energy: 1.22632169565703
Energy: 1.362468524549847
Energy: 1.2707100600393897
Energy: 0.7284145817281824
Energy: 1.270710060040055
Energy: 1.1935381181039948
Energy: 1.2611812779755198
Energy: 0.700991697458923
Energy: 1.261181277976185
Energy: 1.5139500565398019
Energy: 1.2038100963973746
Energy: 0.7242934421574279
Energy: 1.2038100963980398
Energy: 0.7474908858149697
Energy: 1.2876179834900638
Energy: 0.6983741805253709
Energy: 1.287617983490729
Energy: 1.1798336534194058
Energy: 1.2766639022256268
Energy: 0.7282153465184709
Energy: 1.2766639022249617
Energy: 0.7236768719808576
Energy: 1.2659466846394882
Energy: 1.0046644638371591
Energy: 1.2659466846388232
Energy: 1.1666694849255697
Energy: 1.2040491933777766
Energy: 0.7244166282882537
Energy: 1.2040491933777766
Energy: 0.7257436552703835
Energy: 1.2880816037488
Energy: 0.9984165410847478
Energy: 1.2880816037481349
Energy: 0.7059365577034843
Energy: 1.2260585033853726
Energy: 0.7283665729541603
Energy: 1.2260585033853726
Energy: 0.718880569435167
Energy: 1.2661097885335908
Energy: 1.0031686508136826
Energy: 1.2661097885335908
Energy: 0.7010832166036421
Energy: 1.2045163302730602
Energy: 0.7263411276541394
Energy: 1.2045163302730602
Energy: 0.7257643684722666
Energy: 1.287885342169035
Energy: 1.4031309184240999
Energy: 1.287885342169035

minimum gb energy = 0.6983741805253709 eV
minimum distance =  2.24635471871185 Angstroms
sigma value = 85


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

Energy: 1.1049611263900638
Energy: 1.1582006402985794
Energy: 1.1474928254771974
Energy: 1.1582006402980023
Energy: 1.6877396741341828
Energy: 1.1021301578200986
Energy: 0.6583525184059088
Energy: 1.1021301578206752
Energy: 1.0725613483533403
Energy: 1.040263173515903
Energy: 0.804680314952054
Energy: 1.0402631735164798
Energy: 1.6906639510307915
Energy: 1.1022427302453826
Energy: 0.6583784920229294
Energy: 1.1022427302407671
Energy: 0.6869396101233092
Energy: 1.0098283645813422
Energy: 0.6901920765782829
Energy: 1.0098283645813422
Energy: 1.2619627753242255
Energy: 1.0978341231250803
Energy: 0.6583068827869841
Energy: 1.0978341231250803
Energy: 0.6555704231021443
Energy: 1.0583588372093091
Energy: 0.9923766853376838
Energy: 1.0583588372093091
Energy: 1.095437327533305
Energy: 1.1005069747409622
Energy: 0.6582702950836404
Energy: 1.1005069747409622
Energy: 0.6577153508609409
Energy: 1.0233740058532368
Energy: 1.1319532578073517
Energy: 1.0233740058532368
Energy: 0.892012930669883
Energy: 1.058710995044416
Energy: 0.6562097856635843
Energy: 1.0587109950438391
Energy: 0.6598659035382217
Energy: 1.0974526192434626
Energy: 1.3111392779580517
Energy: 1.0974526192434626
Energy: 0.6255537578913661
Energy: 1.1008206353179641
Energy: 0.687532088198979
Energy: 1.100820635318541
Energy: 0.6577843411094051
Energy: 1.0234479565383927
Energy: 1.4326274003135184
Energy: 1.0234479565378158
Energy: 0.804629246327635
Energy: 1.04090565129643
Energy: 1.0730849970379532
Energy: 1.04090565129643
Energy: 0.658603953282985
Energy: 1.1022388750240222
Energy: 1.5053502213076695
Energy: 1.1022388750245988
Energy: 0.6258377239510586
Energy: 1.1525452600003419
Energy: 1.1055846518592105
Energy: 1.1525452600003419
Energy: 0.6578507271998181
Energy: 1.0236410393405608
Energy: 1.5052457389691791
Energy: 1.0236410393411377
Energy: 0.9852771515951423
Energy: 1.0411531454796963
Energy: 1.0730929523873225
Energy: 1.0411531454796963
Energy: 0.6597869828426289
Energy: 1.102133457573819
Energy: 1.3340324478918226
Energy: 1.102133457573819
Energy: 0.9934794838464042
Energy: 1.1664861637703994
Energy: 0.6873047860936087
Energy: 1.1664861637703994
Energy: 0.6579004734530084
Energy: 1.023164874684285
Energy: 1.1831489099264048
Energy: 1.023164874683708
Energy: 0.9869276170881075
Energy: 1.0974099834613553
Energy: 0.656186927320432
Energy: 1.0974099834613553
Energy: 0.6596266175078488
Energy: 1.1002816691996384
Energy: 1.0195838994428652
Energy: 1.1002816691996384
Energy: 0.9977975135319063
Energy: 1.1661556992066808
Energy: 0.6582801612610594
Energy: 1.1661556992066808
Energy: 0.6578784009741703
Energy: 0.866474574850776
Energy: 0.9172359868837996
Energy: 0.866474574850776
Energy: 1.2584144002364235
Energy: 1.0974808890185412
Energy: 0.6598381915881811
Energy: 1.0974808890191183
Energy: 0.6890250516565946
Energy: 1.1003631776068514
Energy: 0.6256931628646959
Energy: 1.1003631776079792
Energy: 1.2529269251428752
Energy: 1.1689881198202334
Energy: 0.6584188446594263
Energy: 1.1689881198202334
Energy: 1.0670911342089535
Energy: 1.0400962480090568
Energy: 0.6260982085716595
Energy: 1.0400962480090568
Energy: 1.5051606782423337
Energy: 1.1023257115162413
Energy: 0.6587508158546032
Energy: 1.1023257115156642
Energy: 1.1000126374415826
Energy: 1.1528035281204299
Energy: 0.6259488581124801
Energy: 1.1528035281204299
Energy: 1.3550965514506552
Energy: 1.169111959618298
Energy: 0.6585734277497975
Energy: 1.1691119596188748
Energy: 1.0671783761647842
Energy: 1.0394209315216691
Energy: 0.6249035903678098
Energy: 1.0394209315210925
Energy: 1.332634695162989
Energy: 1.1000539808664151
Energy: 0.6588040136445267
Energy: 1.1000539808664151
Energy: 0.6888980010655245
Energy: 1.1666319175824853
Energy: 0.881269691617621
Energy: 1.1666319175824853
Energy: 1.035601634901289
Energy: 1.1716594310549648
Energy: 0.6583819303563851
Energy: 1.1716594310549648
Energy: 0.6579106762289022
Energy: 1.0950881143199278
Energy: 0.880222976036707
Energy: 1.0950881143199278
Energy: 1.0195145980164206
Energy: 1.0998863376240322
Energy: 0.6592263777401056
Energy: 1.0998863376240322
Energy: 0.6589218629177209
Energy: 1.1667262625900554
Energy: 0.8888820988450241
Energy: 1.1667262625900554
Energy: 0.6342146359692796
Energy: 1.1359738255540663
Energy: 0.6589017436597457
Energy: 1.1359738255546434
Energy: 0.657328740549322
Energy: 1.0949027124912436
Energy: 1.258261233333509
Energy: 1.0949027124912436
Energy: 0.6257491140883377
Energy: 1.0999442543480349
Energy: 0.6897614862965359
Energy: 1.0999442543480349
Energy: 0.6602132992846665
Energy: 1.1669692590375371
Energy: 1.2529766193141234
Energy: 1.1669692590375371

minimum gb energy = 0.6249035903678098 eV
minimum distance =  2.25526390630164 Angstroms
sigma value = 113


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

Energy: 0.01548827478338279
Energy: 0.016202786708335446
Energy: 0.9701815587517294
Energy: 0.016202786708335446
Energy: 0.9698980721387133
Energy: 0.28338506871549657
Energy: 0.28320479052859115
Energy: 0.2833850687159154
Energy: 0.01548827478338279
Energy: 0.016202786708335446
Energy: 0.9702038493999104
Energy: 0.01620278670791658
Energy: 0.9698980721387133
Energy: 0.28338506871505303
Energy: 0.28320478680952355
Energy: 0.2833850687159154
Energy: 0.015488274783801657
Energy: 0.016202786708335446
Energy: 0.9702043209975045
Energy: 0.01620278670791658
Energy: 0.9698980721391569
Energy: 0.28338506871549657
Energy: 0.2832047912715374
Energy: 0.28338506871549657

minimum gb energy = 0.01548827478338279 eV
minimum distance =  2.54791424932319 Angstroms
sigma value = 1