Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.608429037034512
cohesive_energy=4.2554470964142315
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016507205574943274
Energy: 0.017359323560615446
Energy: 0.2639957839175343
Energy: 0.017359323560615446
Energy: 0.017359323560615446
Energy: 1.2910285797375018
Energy: 0.017359323560615446
Energy: 1.2910285797375018
Energy: 0.26399578391816386
Energy: 0.017359323560615446
Energy: 0.016507205574943274
Energy: 0.017359323560615446
Energy: 0.017359323560615446
Energy: 1.2910285797375018
Energy: 0.017359323560615446
Energy: 1.2910285797375018

minimum gb energy = 0.016507205574943274 eV
minimum distance =  2.49143572356686 Angstroms
sigma value = 1


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

Energy: 1.1387638784049732
Energy: 1.1642105563819305
Energy: 0.9877532959471522
Energy: 1.164210556381167
Energy: 1.0441617917329633
Energy: 1.1234045661994085
Energy: 1.045022960737754
Energy: 1.1234045661994085
Energy: 0.9402156107609371
Energy: 1.1501618009215095
Energy: 1.1007552494393613
Energy: 1.1501618009222732
Energy: 1.0152658102807388
Energy: 1.1777114735255334
Energy: 1.03320549458213
Energy: 1.1777114735255334
Energy: 1.0466866548620324
Energy: 1.1693255115649939
Energy: 1.0444851739388512
Energy: 1.1693255115649939
Energy: 0.9752787552119356
Energy: 1.335371526565819
Energy: 1.0029958561599974
Energy: 1.335371526565819
Energy: 1.0760292728829617
Energy: 1.146008914676763
Energy: 0.9766563487807565
Energy: 1.1460089146782901
Energy: 0.887509427394997
Energy: 1.1716381878593567
Energy: 0.9776633368523189
Energy: 1.1716381878608835
Energy: 1.0329640442640182
Energy: 1.3475776313504408
Energy: 1.028697019677777
Energy: 1.3475776310368013
Energy: 0.9913927327346092
Energy: 1.1490097533877435
Energy: 0.8676420468508313
Energy: 1.14900975338698
Energy: 1.0377083916108174
Energy: 1.1190606193982287
Energy: 1.0332084901395013
Energy: 1.1190606193974655
Energy: 0.9913481830933115
Energy: 1.1716262243133901
Energy: 1.013575496286329
Energy: 1.1716262243133901
Energy: 1.0433750164341602
Energy: 1.145136369826748
Energy: 1.0756367409488323
Energy: 1.145136369826748
Energy: 1.06990103912678
Energy: 1.1559974005575986
Energy: 1.0148435532921278
Energy: 1.1559974005583622
Energy: 1.0534516524915822
Energy: 1.1647822586065766
Energy: 1.0326881089685944
Energy: 1.1647822586065766
Energy: 1.0579171073479565
Energy: 1.1682663474140937
Energy: 1.050174636729266
Energy: 1.1682663474140937
Energy: 1.1011283930810165
Energy: 1.1500465531863637
Energy: 0.9507586301384398
Energy: 1.1500465531856001
Energy: 1.0454260125426789
Energy: 1.1041953234807904
Energy: 1.0438085288184054
Energy: 1.1041953234807904
Energy: 0.8891230947288407
Energy: 1.1689382030281232
Energy: 1.0156360523302908
Energy: 1.1689382030281232
Energy: 1.0539954250759238
Energy: 1.2862910372867546
Energy: 1.0351516820508952
Energy: 1.2862910372867546
Energy: 0.9904421429607949
Energy: 1.1501558877732954
Energy: 0.8666409113992857
Energy: 1.1501558877740585
Energy: 1.0336763993264273
Energy: 1.2997202670293933
Energy: 1.0232246882232603
Energy: 1.2997202670293933
Energy: 1.0266410849281076
Energy: 1.1692299997647893
Energy: 0.9537933124039581
Energy: 1.1692299997655526
Energy: 1.011314065018273
Energy: 1.1478239302160378
Energy: 0.9753273016468504
Energy: 1.1478239302168016
Energy: 0.9766181652360564
Energy: 1.3336515303005116
Energy: 1.0759021546792933
Energy: 1.3336515303005116
Energy: 1.0763773159988912
Energy: 1.172045362058007
Energy: 0.958114517013962
Energy: 1.1720453620564804
Energy: 1.02192660957241
Energy: 1.3432949423607699
Energy: 1.0328981584641408
Energy: 1.3432949423607699
Energy: 0.9430880019469293
Energy: 1.1467223533796091
Energy: 1.0930795024532312
Energy: 1.1467223533788455
Energy: 1.0428010982444125
Energy: 1.1194461188849938
Energy: 1.0368245316437992
Energy: 1.1194461188849938
Energy: 1.0566721621507655
Energy: 1.1654149325261531
Energy: 0.9910543255168696
Energy: 1.1654149325261531
Energy: 1.0476578625019257
Energy: 1.1539886695167134
Energy: 1.0434698252074823
Energy: 1.1539886695174768
Energy: 1.014968419968107
Energy: 1.1467313174360152
Energy: 1.0698205237117229
Energy: 1.1467313174352516
Energy: 1.0465945303169517
Energy: 1.180126623059098
Energy: 1.0364425279558003
Energy: 1.180126623059098

minimum gb energy = 0.8666409113992857 eV
minimum distance =  2.28049528880566 Angstroms
sigma value = 1


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

Energy: 1.2100104058817478
Energy: 1.2547135900083657
Energy: 1.0459292443570651
Energy: 1.2547135900066249
Energy: 1.0959373531575183
Energy: 1.1993649244668243
Energy: 1.095739209019192
Energy: 1.1993649244659539
Energy: 0.9987294555471926
Energy: 1.2572543527066402
Energy: 1.0864894080459182
Energy: 1.2572543527101223
Energy: 1.0776634157911118
Energy: 1.1691607964500061
Energy: 1.016880091747993
Energy: 1.1691607964508768
Energy: 1.077968509091145
Energy: 1.231396627730852
Energy: 1.0594702968592034
Energy: 1.2313966277317225
Energy: 1.0942555566693544
Energy: 1.2246386171060246
Energy: 1.0871828198697264
Energy: 1.2246386171051542
Energy: 1.0878802764204476
Energy: 1.0885235303585847
Energy: 1.0168562272394115
Energy: 1.0885235303838285
Energy: 0.9118651330762837
Energy: 1.256813327016802
Energy: 1.0408935960731904
Energy: 1.2568133270141906
Energy: 1.08486688596142
Energy: 1.7247772018267493
Energy: 1.1053555208010157
Energy: 1.7247772018276195
Energy: 1.093170327966121
Energy: 1.2570044157898332
Energy: 0.9009288391787614
Energy: 1.2570044157898332
Energy: 1.0879942879089781
Energy: 1.1776569178463676
Energy: 1.0966866200242378
Energy: 1.1776569178481087
Energy: 1.001074814697969
Energy: 1.2401586763250856
Energy: 1.1514675846272129
Energy: 1.2401586763268262
Energy: 1.1154228101807078
Energy: 1.2246483236464054
Energy: 1.0758842948028269
Energy: 1.2246483236490169
Energy: 1.115798030518892
Energy: 1.2249478814152899
Energy: 1.0136692417550357
Energy: 1.2249478814161603
Energy: 1.0008994621306269
Energy: 1.2402933906111193
Energy: 1.0862740686116272
Energy: 1.2402933906076374
Energy: 1.0879932968468922
Energy: 1.177627595336931
Energy: 1.0966091515675844
Energy: 1.1776275953343198
Energy: 1.0931447106947316
Energy: 1.257027162417642
Energy: 0.9381052070528778
Energy: 1.257027162417642
Energy: 1.0848702603761506
Energy: 1.724799923042075
Energy: 1.1051989148711272
Energy: 1.7247999230429452
Energy: 0.9119899156282549
Energy: 1.2568075404984214
Energy: 1.0176656162078543
Energy: 1.2568075405027737
Energy: 1.0878015313887852
Energy: 1.0886748401515456
Energy: 1.0289344070247566
Energy: 1.088674840150675
Energy: 1.0942149565907118
Energy: 1.230297601657766
Energy: 0.9881829617041504
Energy: 1.2302976016568954
Energy: 1.0780147630721253
Energy: 1.2261727511944978
Energy: 1.082999392244921
Energy: 1.226172751192757
Energy: 1.0776062476504502
Energy: 1.1687194122848519
Energy: 1.016786190117245
Energy: 1.1687194122848519
Energy: 0.9987910922049403
Energy: 1.2571559131428187
Energy: 1.0862440197233212
Energy: 1.2571559131445598
Energy: 1.0960911535964204
Energy: 1.19922531646183
Energy: 1.095664156713786
Energy: 1.1992253164609594
Energy: 1.2100104058817478
Energy: 1.2547135900083657
Energy: 1.01469833064352
Energy: 1.2547135900066249
Energy: 1.0959373531583887
Energy: 1.1993649244668243
Energy: 1.0957392090200626
Energy: 1.1993649244659539
Energy: 0.9987294555480631
Energy: 1.2572543527066402
Energy: 1.1270558211054993
Energy: 1.2572543527101223
Energy: 1.0776634157902414
Energy: 1.1691607964508768
Energy: 1.0332009580501473
Energy: 1.1691607964517472

minimum gb energy = 0.9009288391787614 eV
minimum distance =  2.25005386131198 Angstroms
sigma value = 25


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

Energy: 1.2022331665307542
Energy: 1.3223387099199377
Energy: 1.1122578078588363
Energy: 1.3223387099199377
Energy: 1.1909524510597522
Energy: 1.274950045366879
Energy: 1.164090672706406
Energy: 1.274950045365867
Energy: 1.0693664212138108
Energy: 1.3703756784448384
Energy: 1.150254512247954
Energy: 1.3703756784448384
Energy: 1.1239781648170746
Energy: 1.3300624285068707
Energy: 1.0911367245802654
Energy: 1.3300624285068707
Energy: 1.0925541218823636
Energy: 1.3236209033716826
Energy: 1.1779370210056737
Energy: 1.3236209033716826
Energy: 1.1868288075331446
Energy: 1.3698899096099983
Energy: 1.2859288403877098
Energy: 1.3698899096099983
Energy: 1.1797342010825576
Energy: 1.1665575786556348
Energy: 1.1396056425850758
Energy: 1.1665575786556348
Energy: 1.1477459117423972
Energy: 1.327076258420553
Energy: 1.0052536785476225
Energy: 1.327076258420553
Energy: 1.1416110399234887
Energy: 1.2567133611400376
Energy: 1.1799427169079704
Energy: 1.2567133611410495
Energy: 1.1520915658298716
Energy: 1.3692764352960072
Energy: 1.07376993086463
Energy: 1.369276435294995
Energy: 1.1497328574725076
Energy: 1.3217122317767869
Energy: 1.1872310596210702
Energy: 1.3217122317767869
Energy: 1.1051384599730227
Energy: 1.3216355924440626
Energy: 1.1880630969980333
Energy: 1.321635592443051
Energy: 1.1501383832791965
Energy: 1.2773519088727234
Energy: 1.0728420962232914
Energy: 1.2773519088727234
Energy: 1.1414697794197388
Energy: 1.1496260616664038
Energy: 1.1803619764670796
Energy: 1.149626061665392
Energy: 0.9412302128138711
Energy: 1.3283254856876099
Energy: 1.002688237168859
Energy: 1.3283254856876099
Energy: 1.1791913341222124
Energy: 1.165257346958763
Energy: 1.0926439435185427
Energy: 1.1652573469577514
Energy: 0.9633439859401965
Energy: 1.3705603852851782
Energy: 0.9629873245756373
Energy: 1.3705603852851782
Energy: 1.0925731100574096
Energy: 1.2852709710472454
Energy: 1.1486414446636037
Energy: 1.2852709710472454
Energy: 1.1214420488657755
Energy: 1.331990711417594
Energy: 1.092516299540515
Energy: 1.331990711417594
Energy: 1.1789821816278545
Energy: 1.3694797560802663
Energy: 1.16540397277611
Energy: 1.3694797560802663
Energy: 1.1825091467793245
Energy: 1.2404706161990724
Energy: 1.1649494139920482
Energy: 1.240470616200084
Energy: 1.1989492241423916
Energy: 1.3238528688911713
Energy: 1.1374824081629977
Energy: 1.3238528688911713
Energy: 1.1892241356876248
Energy: 1.2658803166511954
Energy: 1.1630819669043935
Energy: 1.2658803166511954
Energy: 1.068194607174744
Energy: 1.3694094199456939
Energy: 1.1516304060183205
Energy: 1.3694094199456939
Energy: 1.1651585325300349
Energy: 1.202643538207689
Energy: 1.0914496007474233
Energy: 1.2026435382087008

minimum gb energy = 0.9412302128138711 eV
minimum distance =  2.24261640580314 Angstroms
sigma value = 9


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

Energy: 1.3263705332394629
Energy: 1.4164531888923886
Energy: 1.188388967934961
Energy: 1.4164531888935956
Energy: 1.2193680144532835
Energy: 1.3790379370699926
Energy: 1.258679835125397
Energy: 1.379037937068785
Energy: 1.1504889796977213
Energy: 1.425988063800367
Energy: 1.2337585250083898
Energy: 1.4259880638015745
Energy: 1.4666102978352618
Energy: 1.4560231568545274
Energy: 1.088876225075446
Energy: 1.4560231568533206
Energy: 1.311950675681677
Energy: 1.3577570260863412
Energy: 1.2829307659336242
Energy: 1.3577570260875482
Energy: 1.0183536930447274
Energy: 1.4213323409600254
Energy: 1.207476938544318
Energy: 1.4213323409600254
Energy: 1.2894267348674768
Energy: 1.0887180045796343
Energy: 1.09053203349334
Energy: 1.0887180045808413
Energy: 1.1268220162591496
Energy: 1.4255352684405225
Energy: 1.0804124691051327
Energy: 1.4255352684405225
Energy: 1.2959214362075058
Energy: 1.3779469903339534
Energy: 1.2838639408211459
Energy: 1.3779469903339534
Energy: 1.2771032378950147
Energy: 1.4165829869278164
Energy: 1.2075087776859588
Energy: 1.4165829869278164
Energy: 1.1654076702886318
Energy: 1.39687156147984
Energy: 1.2335678414428919
Energy: 1.39687156147984
Energy: 1.333384297183407
Energy: 1.4161164909692379
Energy: 1.0886155258060484
Energy: 1.4161164909680304
Energy: 1.0187529442339154
Energy: 1.4263084061299236
Energy: 1.0564816706225186
Energy: 1.4263084061299236
Energy: 1.184230620232841
Energy: 2.0101034271468627
Energy: 1.247189727066459
Energy: 2.0101034271480698
Energy: 1.0186340988735028
Energy: 1.4261777067988188
Energy: 0.9889180244936968
Energy: 1.4261777067988188
Energy: 1.3333744866735724
Energy: 1.4160861446460198
Energy: 1.0886620078128904
Energy: 1.4160861446460198
Energy: 1.165474249121502
Energy: 1.3967981176876
Energy: 1.2335487770418723
Energy: 1.3967981176888074
Energy: 1.2770415260864114
Energy: 1.416474611003535
Energy: 1.2075057520893977
Energy: 1.416474611003535
Energy: 1.2955331037291726
Energy: 1.3778406641061656
Energy: 1.283882035924506
Energy: 1.3778406641061656
Energy: 1.1268854819564267
Energy: 1.425435761221717
Energy: 1.0804420347804278
Energy: 1.425435761221717
Energy: 1.2894967803752733
Energy: 1.0886575164797154
Energy: 1.0906000705650598
Energy: 1.0886575164785082

minimum gb energy = 0.9889180244936968 eV
minimum distance =  2.30325462270958 Angstroms
sigma value = 25


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

Energy: 1.1508028763086795
Energy: 1.4929589421162708
Energy: 1.3061325412012668
Energy: 1.4929589421162708
Energy: 1.113355769454781
Energy: 1.4872809517409502
Energy: 1.0804491370833513
Energy: 1.4872809517409502
Energy: 1.275716697566019
Energy: 1.5428724616663143
Energy: 1.0801369711987556
Energy: 1.5428724616663143
Energy: 1.34065779380953
Energy: 1.4616207425290526
Energy: 1.3675511774080626
Energy: 1.4616207425290526
Energy: 1.214105764261665
Energy: 1.2648790306844424
Energy: 1.2519012083485441
Energy: 1.2648790306844424
Energy: 1.0857898901333785
Energy: 1.5525483013726595
Energy: 1.0810521005725628
Energy: 1.5525483013741523
Energy: 1.2515419972711024
Energy: 1.308282018440095
Energy: 1.2752209869237
Energy: 1.308282018440095
Energy: 1.3673457971382292
Energy: 1.492106156703904
Energy: 1.14821723679065
Energy: 1.4921061567053968
Energy: 1.0801736197756016
Energy: 1.3259403657568853
Energy: 1.1149572993553531
Energy: 1.3259403657568853
Energy: 1.2985376920462302
Energy: 1.5096863463538657
Energy: 1.2740796062026425
Energy: 1.5096863463538657
Energy: 1.0534339230229897
Energy: 1.4921067542270021
Energy: 1.3361747685053142
Energy: 1.4921067542270021
Energy: 1.2543217067258607
Energy: 1.750360166979863
Energy: 1.3005224848736645
Energy: 1.75036016697837
Energy: 1.2173237743032213
Energy: 1.542588679221264
Energy: 1.0807720372144964
Energy: 1.542588679221264
Energy: 1.25411630403309
Energy: 1.4628654476709477
Energy: 1.3409902675819745
Energy: 1.4628654476709477
Energy: 1.3960285375437338
Energy: 1.4904157938650877
Energy: 1.3973244108173548
Energy: 1.4904157938650877
Energy: 1.1118675323912637
Energy: 1.5097226933705787
Energy: 1.085783078408361
Energy: 1.5097226933705787
Energy: 1.2757569627560608
Energy: 1.1958167742140264
Energy: 1.2994721422607318
Energy: 1.1958167742140264

minimum gb energy = 1.0534339230229897 eV
minimum distance =  2.29351504070223 Angstroms
sigma value = 17


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

Energy: 1.3741827448122477
Energy: 1.3425349331795484
Energy: 1.4012433247660863
Energy: 1.342534933180394
Energy: 1.3031662015122063
Energy: 1.2987646124306487
Energy: 1.12642742282694
Energy: 1.2987646124298033
Energy: 1.3424444636145674
Energy: 1.431861620000364
Energy: 1.1263082073026245
Energy: 1.431861620000364
Energy: 1.1291627864522662
Energy: 1.46087245558342
Energy: 1.2763173069152793
Energy: 1.4608724555808836
Energy: 1.3029548337607981
Energy: 1.4299897707442402
Energy: 1.2381129844632293
Energy: 1.4299897707433948
Energy: 1.1601366830315658
Energy: 1.3436340579213317
Energy: 1.2084854221502392
Energy: 1.3436340579213317
Energy: 1.2391236460650366
Energy: 1.3376447785765992
Energy: 1.2356748308070256
Energy: 1.3376447785757535
Energy: 1.210310543898663
Energy: 1.3439512667484856
Energy: 1.156325762499439
Energy: 1.3439512667501765
Energy: 1.1624570237217609
Energy: 1.4618489030920165
Energy: 1.3838384467297513
Energy: 1.461848903091171
Energy: 1.3667202737100304
Energy: 1.2865010215975226
Energy: 1.129040800219449
Energy: 1.2865010215975226
Energy: 1.1327106497043309
Energy: 1.3439079076664744
Energy: 1.241204238631639
Energy: 1.3439079076664744
Energy: 1.2643512505840107
Energy: 1.3367268237680738
Energy: 1.264309287218429
Energy: 1.3367268237680738
Energy: 1.2836560783224364
Energy: 1.342625439056416
Energy: 1.3409397121432025
Energy: 1.342625439056416
Energy: 1.1263696014547655
Energy: 1.5899164438231237
Energy: 1.3035071521681745
Energy: 1.589916443823969
Energy: 1.2634208590489988
Energy: 1.420587188051478
Energy: 1.2664770840240278
Energy: 1.4205871880506327
Energy: 1.2359169156230494
Energy: 1.3437163097427975
Energy: 1.2095317912869858
Energy: 1.3437163097444884
Energy: 1.2354865030058568
Energy: 1.4173683998306317
Energy: 1.403861423090494
Energy: 1.417368399829786
Energy: 1.2183642632825513
Energy: 1.319845260559109
Energy: 1.1598418455599393
Energy: 1.3198452605574182
Energy: 1.320515887576766
Energy: 1.4639711642523567
Energy: 1.1964552511327482
Energy: 1.463971164251511
Energy: 1.314790647103598
Energy: 1.3432719193005191
Energy: 1.238569679598964
Energy: 1.3432719192996736
Energy: 1.1688070643960453
Energy: 1.4317252619992118
Energy: 1.2366140046174892
Energy: 1.4317252619992118
Energy: 1.2362986886052114
Energy: 1.3307802146392653
Energy: 1.3681040290808204
Energy: 1.3307802146392653
Energy: 1.2848789732579178
Energy: 1.342670289188658
Energy: 1.127313945820251
Energy: 1.3426702891869673
Energy: 1.264670957155538
Energy: 1.4248840764149573
Energy: 1.409910184224111
Energy: 1.424884076414112
Energy: 1.346228575150123
Energy: 1.4316825079405446
Energy: 1.4114380895755865
Energy: 1.43168250794139
Energy: 1.3503289713274305
Energy: 1.3430831642516012
Energy: 1.1286054726986448
Energy: 1.3430831642524468
Energy: 1.2382374004455357
Energy: 1.342176046100892
Energy: 1.427989648075698
Energy: 1.342176046100892
Energy: 1.2083520033312098
Energy: 1.3436233075252348
Energy: 1.2382691053989308
Energy: 1.3436233075252348
Energy: 1.3677242798064828
Energy: 1.572185045135548
Energy: 1.2389000744679963
Energy: 1.572185045135548
Energy: 1.1561671114225573
Energy: 1.4623261391416964
Energy: 1.2183846703042316
Energy: 1.4623261391416964

minimum gb energy = 1.1263082073026245 eV
minimum distance =  2.18917065339515 Angstroms
sigma value = 53


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

Energy: 1.1141246039237673
Energy: 1.112888822516102
Energy: 1.4273080400747737
Energy: 1.1128888225180484
Energy: 1.3217407433270991
Energy: 1.2901885713666121
Energy: 1.085974869077366
Energy: 1.2901885713685584
Energy: 1.132962018183876
Energy: 1.1127034325172327
Energy: 1.1560578878693417
Energy: 1.1127034325172327
Energy: 1.133382266435883
Energy: 1.112614642176203
Energy: 1.157182170981732
Energy: 1.1126146421742567
Energy: 1.3219630823314832
Energy: 1.290225226074861
Energy: 1.0860545045961107
Energy: 1.290225226074861
Energy: 1.1141246039237673
Energy: 1.112888822516102
Energy: 1.346006581950271
Energy: 1.112888822516102
Energy: 1.3217407433290456
Energy: 1.2901885713627192
Energy: 1.1562183109632929
Energy: 1.2901885713646657
Energy: 1.132962018183876
Energy: 1.1127034325172327
Energy: 1.2932404052636808
Energy: 1.1127034325172327
Energy: 1.1333822664339366
Energy: 1.112614642176203
Energy: 1.2228321834935993
Energy: 1.1126146421742567
Energy: 1.3219630823334296
Energy: 1.2902252260768075
Energy: 1.4013374124393059
Energy: 1.2902252260768075
Energy: 1.1141246039237673
Energy: 1.1128888225180484
Energy: 1.3868774946009528
Energy: 1.112888822516102
Energy: 1.3217407433270991
Energy: 1.2901885713588264
Energy: 1.2225371884662826
Energy: 1.2901885713607728
Energy: 1.132962018183876
Energy: 1.1127034325172327
Energy: 1.293240406244237
Energy: 1.1127034325172327

minimum gb energy = 1.085974869077366 eV
minimum distance =  2.28130629878322 Angstroms
sigma value = 9


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

Energy: 1.2417889441813865
Energy: 1.570746199882265
Energy: 1.5293694932487527
Energy: 1.570746199882265
Energy: 1.5054476844422606
Energy: 1.2637246590653133
Energy: 1.2168015672691461
Energy: 1.2637246590674744
Energy: 1.1698767648591961
Energy: 1.2160568734132522
Energy: 1.193446400943773
Energy: 1.2160568734110913
Energy: 1.2583682702062993
Energy: 1.5886840198630836
Energy: 1.1892827858965271
Energy: 1.5886840198630836
Energy: 1.290643939415267
Energy: 1.285001518584354
Energy: 1.195929678918391
Energy: 1.285001518584354
Energy: 1.2182683238321046
Energy: 1.2166231754443813
Energy: 1.2379651970702878
Energy: 1.2166231754443813
Energy: 1.5346125407520612
Energy: 1.2747022440640496
Energy: 1.2165401865546597
Energy: 1.2747022440626086
Energy: 1.1924074770176587
Energy: 1.593510326210363
Energy: 1.2843141468731212
Energy: 1.5935103262110835
Energy: 1.1731753713413655
Energy: 1.609098168735994
Energy: 1.2163696101532895
Energy: 1.609098168735994
Energy: 1.171434171666033
Energy: 1.2596035421305063
Energy: 1.2175754593601553
Energy: 1.2596035421305063
Energy: 1.1948131568048141
Energy: 1.6390730277470213
Energy: 1.399544488338347
Energy: 1.639073027746301
Energy: 1.3625327630967754
Energy: 1.6911603625878489
Energy: 1.2020376679370288
Energy: 1.6911603625878489
Energy: 1.1734301621170917
Energy: 1.409486357035596
Energy: 1.4734271973369866
Energy: 1.4094863570377572
Energy: 1.2629139591337801
Energy: 1.5972726377889377
Energy: 1.2491945035754397
Energy: 1.5972726377889377
Energy: 1.2195458854976504
Energy: 1.4275450351793468
Energy: 1.3931790115426361
Energy: 1.4275450351786265
Energy: 1.1774300430360998
Energy: 1.611353808838289
Energy: 1.244361534096437
Energy: 1.6113538088375687
Energy: 1.25296976458698
Energy: 1.427394027237015
Energy: 1.2197895322861438
Energy: 1.4273940272377352
Energy: 1.1987185326155791
Energy: 1.275133814302205
Energy: 1.3987270989522311
Energy: 1.275133814302205
Energy: 1.3509312182663535
Energy: 1.4067143990677704
Energy: 1.2207940998073021
Energy: 1.406714399068491
Energy: 1.1991814920065127
Energy: 1.2855072093854758
Energy: 1.2859172753085577
Energy: 1.2855072093854758
Energy: 1.2568842053795304
Energy: 1.5864124473279957
Energy: 1.26103869942516
Energy: 1.5864124473287164
Energy: 1.2838768228040562
Energy: 1.3199968940236408
Energy: 1.1713424917262967
Energy: 1.3199968940243614
Energy: 1.2176145398667633
Energy: 1.4390668684702654
Energy: 1.1733883305991695
Energy: 1.439066868470986
Energy: 1.4594717283199867
Energy: 1.3829788537960803
Energy: 1.1926424475603834
Energy: 1.3829788537960803
Energy: 1.216461130589974
Energy: 1.6525268333952432
Energy: 1.521207722932368
Energy: 1.6525268333952432
Energy: 1.2046250555788631
Energy: 1.2172049828822633
Energy: 1.1706920045805635
Energy: 1.2172049828829838
Energy: 1.3810550197135982
Energy: 1.4284977564917754
Energy: 1.2576922157839132
Energy: 1.428497756491055
Energy: 1.2385803967644486
Energy: 1.5882575617635426
Energy: 1.2587407420747143
Energy: 1.5882575617628223
Energy: 1.2301602646343686
Energy: 1.2169085986326507
Energy: 1.1697745461323024
Energy: 1.2169085986326507
Energy: 1.216159023775268
Energy: 1.6552797801285735
Energy: 1.5023688575702325
Energy: 1.6552797801285735
Energy: 1.433073346705546
Energy: 1.5717699886772132
Energy: 1.1915440090562799
Energy: 1.5717699886779335
Energy: 1.2162024029466352
Energy: 1.27629120201126
Energy: 1.171143983262956
Energy: 1.2762912020119803
Energy: 1.2159973848505095
Energy: 1.323159816785363
Energy: 1.170054265626015
Energy: 1.3231598167846428
Energy: 1.2569319833210326
Energy: 1.588227703190689
Energy: 1.2582474945009943
Energy: 1.588227703190689
Energy: 1.1979195653499257
Energy: 1.4446857068416719
Energy: 1.535851715284129
Energy: 1.4446857068416719

minimum gb energy = 1.1697745461323024 eV
minimum distance =  2.23314275573443 Angstroms
sigma value = 73


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

Energy: 1.2445980196317357
Energy: 1.2424550178065175
Energy: 1.5067822957940786
Energy: 1.2424550178054006
Energy: 1.272051274221886
Energy: 1.36051370654664
Energy: 1.2473229443253813
Energy: 1.360513706545497
Energy: 1.2202032390224666
Energy: 1.2418954783014473
Energy: 1.2036316839662435
Energy: 1.2418954783003044
Energy: 1.166780755398223
Energy: 1.3609928780143767
Energy: 1.2170696854734622
Energy: 1.3609928780143767
Energy: 1.1644829508888306
Energy: 1.3279350159504066
Energy: 1.2038647723693254
Energy: 1.3279350159504066
Energy: 1.2200148729859341
Energy: 1.5400301597307047
Energy: 1.3324252510105863
Energy: 1.5400301597307047
Energy: 1.5264203648331907
Energy: 1.6815060859647393
Energy: 1.2487518120513774
Energy: 1.6815060859647393
Energy: 1.166096471529327
Energy: 1.24242548064126
Energy: 1.5303974950757235
Energy: 1.24242548064126
Energy: 1.3855260613576803
Energy: 1.2430403439000166
Energy: 1.2420603801505694
Energy: 1.2430403439000166
Energy: 1.2453343308059166
Energy: 1.288848459422346
Energy: 1.2462723688942037
Energy: 1.288848459422346
Energy: 1.1631614907661956
Energy: 1.5317951633737454
Energy: 1.3848090724113375
Energy: 1.5317951633737454
Energy: 1.3588427424054712
Energy: 1.348303452513866
Energy: 1.166217485566588
Energy: 1.348303452513866
Energy: 1.2168864921334601
Energy: 1.3121655706926734
Energy: 1.3236677456295864
Energy: 1.3121655706926734
Energy: 1.479501805352369
Energy: 1.3136145849659615
Energy: 1.2206550171253852
Energy: 1.3136145849659615
Energy: 1.2039076631140708
Energy: 1.3058340796553065
Energy: 1.3588614919458246
Energy: 1.3058340796541636
Energy: 1.3847689105435164
Energy: 1.2426059966218992
Energy: 1.1667863256776472
Energy: 1.2426059966207563
Energy: 1.2483425601334854
Energy: 1.5178288157564157
Energy: 1.2207336607835564
Energy: 1.5178288157564157
Energy: 1.242149467188223
Energy: 1.2432251382001176
Energy: 1.2189864652283102
Energy: 1.2432251382001176
Energy: 1.2917668179709536
Energy: 1.2422972499191802
Energy: 1.1637680564943644
Energy: 1.242297249920323
Energy: 1.2475463687465205
Energy: 1.3058342135874268
Energy: 1.5269071132235172
Energy: 1.3058342135874268
Energy: 1.482599913457165
Energy: 1.230684130075464
Energy: 1.2200803961451556
Energy: 1.230684130075464
Energy: 1.2474206317152745
Energy: 1.3248073730806895
Energy: 1.3247784895994528
Energy: 1.3248073730806895

minimum gb energy = 1.1631614907661956 eV
minimum distance =  2.24118893337005 Angstroms
sigma value = 7


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

Energy: 1.3686638091701497
Energy: 1.3570197064062623
Energy: 1.4630695549672954
Energy: 1.3570197064070706
Energy: 1.4223950159420715
Energy: 1.4805049611831902
Energy: 1.2436377816279731
Energy: 1.4805049611823822
Energy: 1.204887237964673
Energy: 1.515633285685435
Energy: 1.231839795231298
Energy: 1.5156332856846269
Energy: 1.201412330576372
Energy: 1.4423167474886422
Energy: 1.2511151912329717
Energy: 1.4423167474894505
Energy: 1.2290657585732723
Energy: 1.3142083925310537
Energy: 1.3283735715248408
Energy: 1.3142083925302457
Energy: 1.2284176350988356
Energy: 1.2764713186499694
Energy: 1.323524266369316
Energy: 1.2764713186499694
Energy: 1.5376231829507323
Energy: 1.4932258615682414
Energy: 1.2777421977434946
Energy: 1.4932258615690495
Energy: 1.2280983057229578
Energy: 1.2768040948704253
Energy: 1.539721828718281
Energy: 1.2768040948720418
Energy: 1.337196775973117
Energy: 1.430366436591651
Energy: 1.257573315112615
Energy: 1.430366436591651
Energy: 1.2168350984329823
Energy: 1.3446426872940804
Energy: 1.4337471163260604
Energy: 1.3446426872932722
Energy: 1.1995717953606402
Energy: 1.5035725062736724
Energy: 1.2300704344922855
Energy: 1.503572506272056
Energy: 1.3086817113328297
Energy: 1.4855594413141056
Energy: 1.2224305043312491
Energy: 1.4855594413141056
Energy: 1.2750723665903683
Energy: 1.4559049764311376
Energy: 1.2261680923016682
Energy: 1.4559049764311376
Energy: 1.24975990154902
Energy: 1.25679971366257
Energy: 1.225741695225083
Energy: 1.2567997136593372
Energy: 1.2149579336927838
Energy: 1.641879398140503
Energy: 1.5029014068630657
Energy: 1.6418793981388864
Energy: 1.367147323832083
Energy: 1.371359472180207
Energy: 1.2534893230265625
Energy: 1.3713594721810152
Energy: 1.2419478316795
Energy: 1.3387909615721816
Energy: 1.312485673367994
Energy: 1.3387909615713736
Energy: 1.258191754415892
Energy: 1.284067415582926
Energy: 1.2224165160071339
Energy: 1.2840674155813099
Energy: 1.222281928661641
Energy: 1.4818193452900135
Energy: 1.2266177776546894
Energy: 1.4818193452892052
Energy: 1.2354767220755216
Energy: 1.3308832907980415
Energy: 1.28877007218205
Energy: 1.3308832907988497
Energy: 1.1975097911179964
Energy: 1.5168820761029504
Energy: 1.2577212910280415
Energy: 1.5168820761021422
Energy: 1.2213919899687653
Energy: 1.4395239690871942
Energy: 1.510455631987651
Energy: 1.439523969086386
Energy: 1.5364500371316114
Energy: 1.6643708133087043
Energy: 1.2297842263486052
Energy: 1.6643708133087043
Energy: 1.362162098826575
Energy: 1.3573877980777604
Energy: 1.3568332259328817
Energy: 1.3573877980777604
Energy: 1.3635618332486321
Energy: 1.3137725065071832
Energy: 1.2529426972982547
Energy: 1.3137725065055668
Energy: 1.2041440576296005
Energy: 1.5132332790321914
Energy: 1.2240233916173011
Energy: 1.5132332790338077
Energy: 1.2056211185096544
Energy: 1.4465078955512898
Energy: 1.2802215593297301
Energy: 1.4465078955496733
Energy: 1.2484859503444448
Energy: 1.3319179620712713
Energy: 1.2785882715284704
Energy: 1.331917962070463
Energy: 1.223863568944083
Energy: 1.2765418448561818
Energy: 1.2166229680275682
Energy: 1.2765418448586063
Energy: 1.4639141315129072
Energy: 1.270882256410979
Energy: 1.242649172549083
Energy: 1.270882256410979
Energy: 1.2237638245632847
Energy: 1.4813355936401118
Energy: 1.2889318179704845
Energy: 1.4813355936401118

minimum gb energy = 1.1975097911179964 eV
minimum distance =  2.23260209194602 Angstroms
sigma value = 29


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

Energy: 1.2788582028972737
Energy: 1.2133572831315675
Energy: 1.4787369235934058
Energy: 1.213357283131849
Energy: 1.2196840639955226
Energy: 1.281499585178022
Energy: 1.281652180763134
Energy: 1.281499585176927
Energy: 1.1558284748084522
Energy: 1.326518605849532
Energy: 1.2398970458822587
Energy: 1.3265186058492506
Energy: 1.2757638640851123
Energy: 1.2835948638156849
Energy: 1.281635864137423
Energy: 1.283594863978311
Energy: 1.2791208533039307
Energy: 1.28391362997243
Energy: 1.1559788329422005
Energy: 1.28391362997243
Energy: 1.155768636334284
Energy: 1.328873197070694
Energy: 1.155741252425042
Energy: 1.3288731970709755
Energy: 1.1558523241893361
Energy: 1.2839325093158578
Energy: 1.2791401641102087
Energy: 1.2839325093158578
Energy: 1.2817126802827676
Energy: 1.283532583460672
Energy: 1.2757524305032406
Energy: 1.283532583459014
Energy: 1.2397610286078575
Energy: 1.3274606860838007
Energy: 1.1557835545617492
Energy: 1.327460686084614

minimum gb energy = 1.155741252425042 eV
minimum distance =  2.26177629824641 Angstroms
sigma value = 5


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

Energy: 1.2187987300223395
Energy: 1.2114028347467025
Energy: 1.6049067948705165
Energy: 1.2114028347467025
Energy: 1.428640570725535
Energy: 1.6207526570361332
Energy: 1.1646925268455908
Energy: 1.6207526570384239
Energy: 1.1636976078388441
Energy: 1.1941436960523244
Energy: 1.3268252906946068
Energy: 1.1941436960523244
Energy: 1.1451511777161276
Energy: 1.425803184422664
Energy: 1.192786924154694
Energy: 1.425803184422664
Energy: 1.1929948186058887
Energy: 1.2745761717308899
Energy: 1.3369623990886
Energy: 1.2745761717316533
Energy: 1.207930351377576
Energy: 1.2135249348173742
Energy: 1.1648024806323487
Energy: 1.2135249348166108
Energy: 1.1655466878660683
Energy: 1.2703200573298925
Energy: 1.165783665008538
Energy: 1.2703200573298925
Energy: 1.1685515327251612
Energy: 1.2137080397767956
Energy: 1.173248569385303
Energy: 1.2137080397783224
Energy: 1.1925301674630635
Energy: 1.2709884720710116
Energy: 1.1600281900667626
Energy: 1.2709884720725386
Energy: 1.1892865515256426
Energy: 1.2709294472701747
Energy: 1.1515324322978762
Energy: 1.2709294472701747
Energy: 1.17718163494704
Energy: 1.4518448144904907
Energy: 1.1711429643053164
Energy: 1.4518448144943081
Energy: 1.164408033596098
Energy: 1.2002688554028207
Energy: 1.2414154641937243
Energy: 1.2002688554043475
Energy: 1.2177852955775874
Energy: 1.2120159938551953
Energy: 1.2203282989297464
Energy: 1.2120159938551953
Energy: 1.1978786370922319
Energy: 1.2141080899134098
Energy: 1.4318195515846226
Energy: 1.2141080899134098
Energy: 1.3877563371742918
Energy: 1.401999743266668
Energy: 1.1713790066607168
Energy: 1.4019997432498723
Energy: 1.191054449656423
Energy: 1.1944227474760294
Energy: 1.1990786825271496
Energy: 1.1944227474767932
Energy: 1.4395906412431776
Energy: 1.4158006085292851
Energy: 1.1822611554239455
Energy: 1.4158006085300485
Energy: 1.1929453941929855
Energy: 1.2120795201050403
Energy: 1.28058772651115
Energy: 1.2120795201050403
Energy: 1.1759971718002928
Energy: 1.2724610042894908
Energy: 1.1674850433338018
Energy: 1.2724610042894908
Energy: 1.1643920676091981
Energy: 1.5125561858497139
Energy: 1.2075042335674238
Energy: 1.5125561858497139
Energy: 1.1516822172117107
Energy: 1.4483092796489787
Energy: 1.1899998868123218
Energy: 1.4483092796497423
Energy: 1.1913985857244795
Energy: 1.2705268654491388
Energy: 1.182484438777709
Energy: 1.2705268654491388
Energy: 1.170850035810119
Energy: 1.213467048750581
Energy: 1.1512110511343976
Energy: 1.213467048749054
Energy: 1.2371058399147077
Energy: 1.460942414746869
Energy: 1.1646509914908518
Energy: 1.460942414692664
Energy: 1.2195268208428047
Energy: 1.214026258278268
Energy: 1.1699050183085182
Energy: 1.214026258278268
Energy: 1.1994900510425763
Energy: 1.2145654758618885
Energy: 1.1932917680504305
Energy: 1.2145654758626516
Energy: 1.172467155301026
Energy: 1.176863053233212
Energy: 1.2110649460049676
Energy: 1.176863053233212
Energy: 1.203554360134192
Energy: 1.4010137113846224
Energy: 1.1911194268333207
Energy: 1.4010137113838586
Energy: 1.1635418844833174
Energy: 1.6214840380318523
Energy: 1.4978495148525601
Energy: 1.6214840380310886
Energy: 1.3141340472431216
Energy: 1.2118759172355937
Energy: 1.1932490515890781
Energy: 1.2118759172355937
Energy: 1.1623233195378695
Energy: 1.1906716039755585
Energy: 1.3128968886246133
Energy: 1.1906716039747947
Energy: 1.332989709170141
Energy: 1.2126950259110771
Energy: 1.1641989353326327
Energy: 1.2126950259087865
Energy: 1.1935862961267873
Energy: 1.6183912935956926
Energy: 1.1452414333785474
Energy: 1.6183912935956926

minimum gb energy = 1.1451511777161276 eV
minimum distance =  2.12999378157051 Angstroms
sigma value = 1


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

Energy: 1.1544949067993808
Energy: 1.153581876040675
Energy: 1.5683687161138096
Energy: 1.153581876040675
Energy: 1.418832880960161
Energy: 1.6655745509473343
Energy: 1.137263685417043
Energy: 1.6655745509473343
Energy: 1.0946573936303037
Energy: 1.1532773046774412
Energy: 1.275588897381999
Energy: 1.1532773046784968
Energy: 1.1653596350678872
Energy: 1.2219905651801883
Energy: 1.1268790756174951
Energy: 1.221990565181244
Energy: 1.1022068941989456
Energy: 1.4418271751157234
Energy: 1.3323111634126559
Energy: 1.4418271751157234
Energy: 1.0938442336296972
Energy: 1.44767859558957
Energy: 1.1280211231229824
Energy: 1.447678595588514
Energy: 1.0939037231206472
Energy: 1.255841624148047
Energy: 1.1783144301705621
Energy: 1.255841624148047
Energy: 1.0936788751005482
Energy: 1.4478567101817388
Energy: 1.160863247113245
Energy: 1.447856710182794
Energy: 1.1524747060854257
Energy: 1.1624875353439614
Energy: 1.1713768591438205
Energy: 1.1624875353429056
Energy: 1.1524317964836097
Energy: 1.1626193311770012
Energy: 1.1845649744710656
Energy: 1.1626193311770012
Energy: 1.0936390020805393
Energy: 1.4477778904361982
Energy: 1.1414640313746818
Energy: 1.4477778904404206
Energy: 1.093857218276896
Energy: 1.2558074611384107
Energy: 1.178417182386474
Energy: 1.2558074611394663
Energy: 1.093949288589484
Energy: 1.4476730737561099
Energy: 1.129643758135117
Energy: 1.4476730737571657
Energy: 1.1019662395303669
Energy: 1.4418505829960975
Energy: 1.3425914376534218
Energy: 1.4418505829960975
Energy: 1.1654571056072265
Energy: 1.2217490954097472
Energy: 1.1259076035286066
Energy: 1.2217490954076362
Energy: 1.0945975729860717
Energy: 1.1535300071969854
Energy: 1.4361779430551664
Energy: 1.1535300071980408
Energy: 1.4189751628898488
Energy: 1.6655708091268993
Energy: 1.1373952988277605
Energy: 1.6655708091279546
Energy: 1.1544949067993808
Energy: 1.1535818760396195
Energy: 1.1402751167257477
Energy: 1.153581876040675
Energy: 1.418832880960161
Energy: 1.6655745509473343
Energy: 1.137263685417043
Energy: 1.6655745509473343
Energy: 1.0946573936303037
Energy: 1.1532773046774412
Energy: 1.5588272721246588
Energy: 1.1532773046774412
Energy: 1.165359635068943
Energy: 1.221990565181244
Energy: 1.1268790756185507
Energy: 1.221990565181244
Energy: 1.10220689419789
Energy: 1.4418271751157234
Energy: 1.3167194038144054
Energy: 1.4418271751157234
Energy: 1.0938442336286418
Energy: 1.447678595588514
Energy: 1.128021123124038
Energy: 1.447678595588514
Energy: 1.0939037231217028
Energy: 1.255841624148047
Energy: 1.1499599857360092
Energy: 1.255841624148047

minimum gb energy = 1.0936390020805393 eV
minimum distance =  2.26912766950765 Angstroms
sigma value = 17


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

Energy: 1.132710459637682
Energy: 1.1311977456313635
Energy: 1.6221293652023183
Energy: 1.131197745632016
Energy: 1.4318047230701683
Energy: 1.3061417837371294
Energy: 1.1031782048924075
Energy: 1.306141783739739
Energy: 1.1008552216194711
Energy: 1.1139291714060977
Energy: 1.3535150549713029
Energy: 1.1139291714060977
Energy: 1.1646114497692686
Energy: 1.2756471882543228
Energy: 1.0991991352584165
Energy: 1.2756471882543228
Energy: 1.0895071972282913
Energy: 1.447346648650963
Energy: 1.361893489924145
Energy: 1.4473466486503106
Energy: 1.0882259277756632
Energy: 1.5233252356006082
Energy: 1.1181126363900833
Energy: 1.523325235601913
Energy: 1.1158756609201268
Energy: 1.1749023303404857
Energy: 1.1359388747026464
Energy: 1.1749023303411381
Energy: 1.0981605662110407
Energy: 1.3478706215448255
Energy: 1.0989155872496077
Energy: 1.3478706215441731
Energy: 1.1241796529920458
Energy: 1.372832372060931
Energy: 1.147709039468506
Energy: 1.3728323720596263
Energy: 1.1275736625744364
Energy: 1.4963060666982713
Energy: 1.1090822693639664
Energy: 1.4963060666989236
Energy: 1.1048195460880927
Energy: 1.472328045848076
Energy: 1.1008823544509279
Energy: 1.4723280458474237
Energy: 1.1073465732788628
Energy: 1.1730368011575878
Energy: 1.1032941452893779
Energy: 1.1730368011582406
Energy: 1.088378269309974
Energy: 1.53332446741648
Energy: 1.1158088470068985
Energy: 1.5333244674171325
Energy: 1.1022051421965444
Energy: 1.1948998094108532
Energy: 1.172785038487537
Energy: 1.1948998094115055
Energy: 1.094286901640415
Energy: 1.5099474097280783
Energy: 1.1409453323586318
Energy: 1.5099474097280783
Energy: 1.1053059897688386
Energy: 1.226617796140154
Energy: 1.3469395759721028
Energy: 1.2266177962105587
Energy: 1.1269937914294024
Energy: 1.2853984710641366
Energy: 1.1019184415186374
Energy: 1.2853984730153576
Energy: 1.0949915447324448
Energy: 1.1321787420885903
Energy: 1.0944765886727288
Energy: 1.1321787420872855
Energy: 1.482249271970996
Energy: 1.609292822729313
Energy: 1.1028505149482264
Energy: 1.6092928227286605
Energy: 1.1138279291808981
Energy: 1.1137653265741934
Energy: 1.2307022882410223
Energy: 1.1137653265754985
Energy: 1.5601747030118451
Energy: 1.235480088707292
Energy: 1.115377934967184
Energy: 1.2354800887066397
Energy: 1.1162325358202285
Energy: 1.2431546626814016
Energy: 1.582972299859712
Energy: 1.243154662682054
Energy: 1.2659811143911301
Energy: 1.294066992583429
Energy: 1.1157059652914907
Energy: 1.2940669926616628
Energy: 1.1032263764674943
Energy: 1.4266852312775453
Energy: 1.2882933620271548
Energy: 1.4266852312762404
Energy: 1.1192019530254367
Energy: 1.1330427513290695
Energy: 1.0966712750175613
Energy: 1.1330427513277646
Energy: 1.1174108669135603
Energy: 1.1967277017467421
Energy: 1.1445899435338696
Energy: 1.1967277017467421
Energy: 1.2391009394598984
Energy: 1.4939489581546295
Energy: 1.1071147158896077
Energy: 1.4939489581546295
Energy: 1.1456060116297364
Energy: 1.5061331701019696
Energy: 1.0953802161083348
Energy: 1.5061331701013172
Energy: 1.1306711003877756
Energy: 1.1944029142547528
Energy: 1.1341994540527
Energy: 1.1944029142554056
Energy: 1.1183616977035586
Energy: 1.5341967444314912
Energy: 1.1429646322462401
Energy: 1.5341967444321436
Energy: 1.1016539225907809
Energy: 1.1939931659860972
Energy: 1.1043631877886304
Energy: 1.1939931659860972
Energy: 1.1027447974847695
Energy: 1.5027381998161589
Energy: 1.1006625757722135
Energy: 1.5027381998181162
Energy: 1.1067692440177619
Energy: 1.4965092978180403
Energy: 1.2607226349624492
Energy: 1.4965092978173877
Energy: 1.153978849289756
Energy: 1.3605777792278806
Energy: 1.1212896974071886
Energy: 1.3605777792265756
Energy: 1.0977367823848132
Energy: 1.2445384061230977
Energy: 1.1294394652432111
Energy: 1.2445384061230977
Energy: 1.1361979821925225
Energy: 1.176885656177757
Energy: 1.116928977530661
Energy: 1.1768856561784093
Energy: 1.115872725829566
Energy: 1.2960759110224305
Energy: 1.0827107645161635
Energy: 1.296075909705088
Energy: 1.3394841255351202
Energy: 1.4472855593918943
Energy: 1.105004401020177
Energy: 1.4472855593918943

minimum gb energy = 1.0827107645161635 eV
minimum distance =  2.16517325123646 Angstroms
sigma value = 89


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

Energy: 0.9875184769092553
Energy: 0.9869006036997922
Energy: 1.4962118315406066
Energy: 0.9869006036997922
Energy: 1.2799160820456756
Energy: 1.0272642909080831
Energy: 1.000021965874842
Energy: 1.0272642909080831
Energy: 0.9978223877868482
Energy: 1.1673866367916055
Energy: 1.376132166262324
Energy: 1.1673866367916055
Energy: 0.9725376692243489
Energy: 1.0273609581706449
Energy: 0.9998589659169456
Energy: 1.0273609581706449
Energy: 0.9967729783257947
Energy: 1.3561589642625236
Energy: 1.285134950061523
Energy: 1.3561589642625236
Energy: 0.9967997973981041
Energy: 0.9878731156730891
Energy: 0.990359198533824
Energy: 0.9878731156730891
Energy: 0.9981391018484702
Energy: 1.1726361554875016
Energy: 0.9865176013903252
Energy: 1.1726361554875016
Energy: 0.9742181930998697
Energy: 1.445893328462035
Energy: 0.9999404695330469
Energy: 1.445893328462035
Energy: 0.9983524745962975
Energy: 1.0764816495739855
Energy: 1.038829279977409
Energy: 1.0764816495739855
Energy: 1.0277360998956575
Energy: 1.3552716541046785
Energy: 0.9967813208847828
Energy: 1.3552716541046785
Energy: 0.9865894383125787
Energy: 1.0281884690931407
Energy: 0.9997130797377108
Energy: 1.0281884690931407
Energy: 0.9864188691585951
Energy: 1.1692688911011295
Energy: 0.9997985326268032
Energy: 1.1692688911028368
Energy: 0.9971305826810882
Energy: 0.9880060934336249
Energy: 0.9908073515100511
Energy: 0.9880060934336249
Energy: 0.9968023081377675
Energy: 1.07350344266314
Energy: 0.9968878411853394
Energy: 1.07350344266314
Energy: 0.9727697638647009
Energy: 0.9875050303099104
Energy: 0.997053948295204
Energy: 0.9875050303082032

minimum gb energy = 0.9725376692243489 eV
minimum distance =  2.28812493222596 Angstroms
sigma value = 13


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

Energy: 1.0659648051932449
Energy: 1.3762524290503153
Energy: 1.564229394803626
Energy: 1.376252429051031
Energy: 1.432404352195745
Energy: 1.3353208530354703
Energy: 0.9226372452789188
Energy: 1.3353208530347547
Energy: 0.9465787072477638
Energy: 1.310541908301716
Energy: 1.14553885970715
Energy: 1.3105419083010004
Energy: 0.9531875134909384
Energy: 1.2463872639455245
Energy: 0.9273573681351828
Energy: 1.246387263947671
Energy: 0.9464808397247716
Energy: 1.3438162438886059
Energy: 1.3194047223023946
Energy: 1.3438162438886059
Energy: 1.002309534666355
Energy: 1.2467004508897004
Energy: 1.0358277148149795
Energy: 1.2467004508939934
Energy: 0.9432011995679154
Energy: 1.462921731461257
Energy: 1.3987420072155374
Energy: 1.4629217314626881
Energy: 0.9314299595131739
Energy: 1.3416201747089542
Energy: 1.0356482005542051
Energy: 1.3416201747075234
Energy: 0.9452840564993522
Energy: 1.2718667613222043
Energy: 1.2195757775567209
Energy: 1.2718667613222043
Energy: 1.1252474218829585
Energy: 1.4802515819192645
Energy: 0.9278557450745811
Energy: 1.4802515819206956
Energy: 0.9554243246729823
Energy: 1.2786521985285277
Energy: 1.0158593230614732
Energy: 1.2786521985285277
Energy: 1.2851264363129318
Energy: 1.4802772691382116
Energy: 0.9245167149050837
Energy: 1.4802772691367807
Energy: 0.9822238669104317
Energy: 1.318427395164597
Energy: 0.9378619926997108
Energy: 1.3184273951624506
Energy: 1.2285797641092213
Energy: 1.361960876223761
Energy: 0.9281685984399319
Energy: 1.3619608762244764
Energy: 0.9527095296509956
Energy: 1.3117913866811515
Energy: 0.9237496459965361
Energy: 1.3117913866811515
Energy: 1.0172345920585648
Energy: 1.193489255870327
Energy: 0.9363262000722337
Energy: 1.1934892558688959
Energy: 0.938966485393416
Energy: 1.4507284645578649
Energy: 0.9330955001567883
Energy: 1.4507284645578649
Energy: 0.9520099621213549
Energy: 1.4062946744712435
Energy: 1.0327251414896463
Energy: 1.4062946744719589
Energy: 0.9453962169046624
Energy: 1.474276503759235
Energy: 1.0357783739112663
Energy: 1.4742765037628125
Energy: 0.9471844141041941
Energy: 1.4610542402788633
Energy: 1.0352664637157123
Energy: 1.4610542402788633
Energy: 0.9348716172814086
Energy: 1.271131569677333
Energy: 1.0347478196762787
Energy: 1.2711315696794796
Energy: 0.9361473469190602
Energy: 1.1314116629336908
Energy: 0.9369671460708054
Energy: 1.1314116629401305
Energy: 1.0168533793878167
Energy: 1.2792403932418153
Energy: 0.9335438965897054
Energy: 1.2792403932432463
Energy: 0.9521320175513494
Energy: 1.2211205917728383
Energy: 0.9365743228214791
Energy: 1.2211205917714072
Energy: 1.2935416030949944
Energy: 1.423524698831287
Energy: 0.9242562994599662
Energy: 1.4235246988284251
Energy: 1.0720706125156567
Energy: 1.384343658769642
Energy: 0.946459147808279
Energy: 1.384343658768211
Energy: 1.209634315932417
Energy: 1.4799270572859429
Energy: 0.9236391921833579
Energy: 1.479927057287374
Energy: 0.9538590596041867
Energy: 1.1913818553739919
Energy: 0.9926901697106159
Energy: 1.1913818553732765
Energy: 1.0276597158080247
Energy: 1.365151467109896
Energy: 0.925283862334571
Energy: 1.3651514670820557
Energy: 0.9437895923014513
Energy: 1.4145867643829302
Energy: 1.2733397019953352
Energy: 1.4145867643872232
Energy: 0.930374028118131
Energy: 1.2511037314436229
Energy: 1.035887504999532
Energy: 1.251103731445054
Energy: 0.946513096419767
Energy: 1.4023346309831277
Energy: 1.399077985371573
Energy: 1.4023346309981535
Energy: 1.0841569506230335
Energy: 1.152227617648506
Energy: 1.0357492552837526
Energy: 1.152227617649937
Energy: 0.9435709049691858
Energy: 1.3689552942503402
Energy: 1.2019829740327483
Energy: 1.3689552942489092
Energy: 1.009942166675366
Energy: 1.3355846849414146
Energy: 0.9249511885356716
Energy: 1.335584684940699

minimum gb energy = 0.9226372452789188 eV
minimum distance =  2.14124980420501 Angstroms
sigma value = 37


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

Energy: 0.8900602852977113
Energy: 0.889003086128531
Energy: 1.4157236103924533
Energy: 0.889003086128531
Energy: 1.3347809851368977
Energy: 1.1881353211136982
Energy: 0.8310866625662964
Energy: 1.1881353211075432
Energy: 0.825121378843324
Energy: 1.485173488819792
Energy: 1.5367908354065571
Energy: 1.485173488819792
Energy: 0.8248723884398186
Energy: 1.187961326484399
Energy: 0.830918502781443
Energy: 1.187961326484399
Energy: 0.8301627411082795
Energy: 1.1869294314957815
Energy: 1.1487169730898192
Energy: 1.1869294314957815
Energy: 0.8202978839431031
Energy: 1.1879301836362655
Energy: 0.8273878473942654
Energy: 1.1879301836362655
Energy: 0.8312984850608081
Energy: 1.511409151399141
Energy: 1.0888187741466597
Energy: 1.511409151399141
Energy: 0.8297230979384521
Energy: 0.8896865883542471
Energy: 0.8929235491009883
Energy: 0.8896865883530161
Energy: 0.8303453469720206
Energy: 1.1873448986984356
Energy: 1.207915014107703
Energy: 1.1873448986984356
Energy: 1.2015391200921273
Energy: 1.4715107840453914
Energy: 0.8275954481190216
Energy: 1.4715107840453914
Energy: 0.8311156207234118
Energy: 1.5100635055178429
Energy: 0.8244841518676707
Energy: 1.5100635055178429
Energy: 1.1600020351642804
Energy: 1.1870916874431015
Energy: 0.8311760528425469
Energy: 1.1870916874431015
Energy: 0.8245252183322344
Energy: 1.187142183824324
Energy: 0.8216184306904993
Energy: 1.187142183824324
Energy: 1.0893176153159398
Energy: 1.5091496145398688
Energy: 0.8296110878980575
Energy: 1.5091496145398688
Energy: 0.8881753183615352
Energy: 0.9390551925436755
Energy: 0.8296922606999969
Energy: 0.9390551925436755
Energy: 0.888339508717532
Energy: 1.1877553133485905
Energy: 0.8311037203119221
Energy: 1.1877553133485905
Energy: 0.8244745684718776
Energy: 1.4735285894626615
Energy: 0.8205174499318469
Energy: 1.4735285894626615
Energy: 0.8244640221950593
Energy: 1.5337609924952935
Energy: 0.829812100052055
Energy: 1.5337609924952935
Energy: 0.8311821722923726
Energy: 1.1880900276264157
Energy: 0.8300990812217176
Energy: 1.1880900276264157
Energy: 0.8296729782665635
Energy: 1.1876027505633555
Energy: 0.8244331507430708
Energy: 1.1876027505633555

minimum gb energy = 0.8202978839431031 eV
minimum distance =  2.16851773277817 Angstroms
sigma value = 25


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

Energy: 0.8125317400481052
Energy: 1.2422830294960618
Energy: 1.385456582785097
Energy: 1.242283029497023
Energy: 1.3207453353415584
Energy: 1.2651504742360238
Energy: 0.7610413671180487
Energy: 1.2651504742360238
Energy: 0.7551279863563386
Energy: 0.7545329677376025
Energy: 1.0366627499701606
Energy: 0.7545329677376025
Energy: 0.9326721639625285
Energy: 1.2650215437577148
Energy: 0.7611886813152513
Energy: 1.2650215437567536
Energy: 0.7600780267075936
Energy: 1.2652353617113292
Energy: 0.7620443475632442
Energy: 1.265235361710368
Energy: 0.7195011674983417
Energy: 1.2655953110435718
Energy: 0.7608915543681258
Energy: 1.2655953110435718
Energy: 0.7608336243632455
Energy: 1.002665834998271
Energy: 1.0301104047879583
Energy: 1.0026658349992323
Energy: 0.9414322863248393
Energy: 1.0579335834184767
Energy: 0.7562905002677218
Energy: 1.0579335834184767
Energy: 0.760100778081887
Energy: 1.2653798622670374
Energy: 1.2139201877517314
Energy: 1.2653798622660761
Energy: 0.7240941565478807
Energy: 1.239678095271857
Energy: 0.8139322350925087
Energy: 1.239678095271857
Energy: 0.7609287502731671
Energy: 1.002633348471037
Energy: 1.1440472779329458
Energy: 1.0026333484748822
Energy: 1.0554488651238838
Energy: 1.3436595912168205
Energy: 0.7563961978465554
Energy: 1.3436595912168205
Energy: 0.7600665226564502
Energy: 1.2650827506722857
Energy: 1.0305624034039826
Energy: 1.2650827506722857
Energy: 1.0323061878833997
Energy: 1.2920471635606865
Energy: 0.7609412033310706
Energy: 1.2920471635606865
Energy: 0.7609749560119642
Energy: 1.002672115415231
Energy: 0.7193297366083682
Energy: 1.002672115415231
Energy: 1.0110498097684657
Energy: 1.3432955884406619
Energy: 0.7641870227462899
Energy: 1.3432955884397004
Energy: 0.7602027721620569
Energy: 1.0575234037817225
Energy: 0.7172122365920948
Energy: 1.0575234037797998
Energy: 0.9794241251102231
Energy: 1.2643243000054936
Energy: 0.7612164426991761
Energy: 1.2643243000054936
Energy: 0.8175641004918299
Energy: 1.2386474501709943
Energy: 0.7241257268322326
Energy: 1.2386474501709943
Energy: 1.1442720854296051
Energy: 1.3106166483023196
Energy: 0.7642593897546843
Energy: 1.3106166483023196
Energy: 0.7602097482380059
Energy: 1.3421014129877873
Energy: 0.7179727600265191
Energy: 1.3421014129877873
Energy: 0.754018294099676
Energy: 1.2644346396771309
Energy: 0.7609388787574589
Energy: 1.2644346396780919
Energy: 0.7606294349770905
Energy: 1.2908993941586042
Energy: 1.034277125736385
Energy: 1.2908993941586042
Energy: 0.719334311682222
Energy: 1.3100417796543882
Energy: 0.7592407057110891
Energy: 1.3100417796553494
Energy: 0.7584356905089938
Energy: 1.3422354821645461
Energy: 1.0094963818808915
Energy: 1.342235482163585
Energy: 0.7238767857338686
Energy: 1.0576264986070931
Energy: 0.7612708986761502
Energy: 1.0576264986070931

minimum gb energy = 0.7172122365920948 eV
minimum distance =  2.15755398878239 Angstroms
sigma value = 41


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

Energy: 1.0614244935930557
Energy: 1.1139010464206276
Energy: 1.3538559771190313
Energy: 1.1139010464198393
Energy: 1.3001142367382366
Energy: 1.0958236871276084
Energy: 0.6695568204803555
Energy: 1.095823687125244
Energy: 0.700200889424204
Energy: 1.0818913860092951
Energy: 0.9090304452145594
Energy: 1.0818913860100832
Energy: 1.0045583720508207
Energy: 1.0956588695658773
Energy: 0.6697319489319116
Energy: 1.0956588695650893
Energy: 0.6659719056204704
Energy: 1.133112166866621
Energy: 0.6855978600972712
Energy: 1.133112166866621
Energy: 0.8244859409677813
Energy: 1.0952773455385834
Energy: 0.6696503048261151
Energy: 1.0952773455377955
Energy: 0.6688077003410887
Energy: 1.095957149684611
Energy: 0.9431054766493656
Energy: 1.095957149683823
Energy: 0.6445936553831433
Energy: 0.9092767568987081
Energy: 0.6666808624552601
Energy: 0.9092767568971319
Energy: 0.6717754149881262
Energy: 1.1711961458189524
Energy: 1.1334407957131671
Energy: 1.1711961458197406
Energy: 0.8262485574415372
Energy: 1.0806282637455604
Energy: 0.7007020491886894
Energy: 1.0806282637463487
Energy: 0.6689078617621074
Energy: 1.0959243978125197
Energy: 1.162693330314179
Energy: 1.0959243978125197
Energy: 0.6476367751727822
Energy: 1.1116677563625643
Energy: 1.05846372057731
Energy: 1.1116677563625643
Energy: 0.6715499982603398
Energy: 1.178338872077673
Energy: 1.226700676249022
Energy: 1.178338872078461
Energy: 0.9432363946445474
Energy: 1.2300995864629563
Energy: 0.7007584448740257
Energy: 1.2300995864629563
Energy: 0.6690943575448273
Energy: 1.0966417997107099
Energy: 0.999743653723304
Energy: 1.0966417997107099
Energy: 0.9165417154274411
Energy: 1.1697554175270728
Energy: 0.6668177863781996
Energy: 1.169755417527861
Energy: 0.671720870827805
Energy: 1.1787970315239924
Energy: 0.9070176355704491
Energy: 1.1787970315239924
Energy: 0.9011677687427535
Energy: 1.2294864780669945
Energy: 0.6698883626972961
Energy: 1.2294864780677826
Energy: 0.6688608249046799
Energy: 0.9091535378415814
Energy: 0.6447578249510155
Energy: 0.9091535378439455
Energy: 0.9130070859601125
Energy: 1.169618460703602
Energy: 0.6747240615514513
Energy: 1.169618460703602
Energy: 0.7032568313274989
Energy: 1.1791583002976653
Energy: 0.6444402653027136
Energy: 1.1791583002984534
Energy: 1.1621104230166603
Energy: 1.250211011650204
Energy: 0.6698775462211681
Energy: 1.250211011650204
Energy: 1.0568455857472867
Energy: 1.111263030769743
Energy: 0.6475826988316659
Energy: 1.111263030769743
Energy: 1.0456781428031747
Energy: 1.1763744640480915
Energy: 0.6750383804659464
Energy: 1.1763744640473035
Energy: 0.7030552247762477
Energy: 1.2272038455509442
Energy: 0.6453459441510493
Energy: 1.2272038455509442
Energy: 1.0161301798138476
Energy: 1.2481524619787028
Energy: 0.6697609016817145
Energy: 1.2481524619787028
Energy: 0.6690427967853638
Energy: 1.1686683351397942
Energy: 0.916273410417907
Energy: 1.1686683351397942
Energy: 0.665503206253577
Energy: 1.17706230603723
Energy: 0.6752378060047382
Energy: 1.17706230603723
Energy: 0.6718288014255392
Energy: 1.2276032409879187
Energy: 0.9016507734736364
Energy: 1.2276032409879187
Energy: 0.6446102043861065
Energy: 1.2168439714861232
Energy: 0.6726583802084017
Energy: 1.2168439714869113
Energy: 0.6743331495791326
Energy: 1.1687300632149467
Energy: 0.9411577944206373
Energy: 1.1687300632149467
Energy: 0.6473709537533178
Energy: 1.1773698194457365
Energy: 0.706674587309989
Energy: 1.1773698194457365

minimum gb energy = 0.6444402653027136 eV
minimum distance =  2.13565880289067 Angstroms
sigma value = 15


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

Energy: 0.960204401313766
Energy: 1.1057601111659507
Energy: 0.9808759271589199
Energy: 1.1057601111666184
Energy: 1.287827398208744
Energy: 1.0399829031540437
Energy: 0.6264901823253597
Energy: 1.0399829031540437
Energy: 0.65361089803396
Energy: 0.9850066587367531
Energy: 1.2020238018784979
Energy: 0.9850066587367531
Energy: 1.241948230652095
Energy: 1.0427154343323535
Energy: 0.626463170477279
Energy: 1.0427154343330212
Energy: 0.624052395524343
Energy: 1.117042683298389
Energy: 0.6233590335651731
Energy: 1.1170426832977214
Energy: 0.9143857870028794
Energy: 1.040680981957239
Energy: 0.6265874487807013
Energy: 1.040680981957239
Energy: 0.625881190032588
Energy: 0.99858594199874
Energy: 0.8819696406494725
Energy: 0.9985859419980724
Energy: 0.7429782095418167
Energy: 0.998034133000796
Energy: 0.6265016185052059
Energy: 0.998034133000796
Energy: 0.6278850144025125
Energy: 1.1160570700148251
Energy: 1.0443703487021716
Energy: 1.1160570700154926
Energy: 0.5889652233088122
Energy: 1.0404555284699963
Energy: 0.6246260763419058
Energy: 1.0404555284699963
Energy: 0.6259293675907195
Energy: 1.0407809440409028
Energy: 1.1049027959803956
Energy: 1.0407809440409028
Energy: 0.7425961221316425
Energy: 0.9849955830403733
Energy: 0.6545891087876544
Energy: 0.9849955830417085
Energy: 0.6282160056497839
Energy: 1.1077708119478864
Energy: 1.2336494691027793
Energy: 1.1077708119478864
Energy: 0.5906092909490587
Energy: 1.1023088788740443
Energy: 0.957837460366785
Energy: 1.1023088788747117
Energy: 0.6262823617156141
Energy: 1.0399001939573258
Energy: 1.160538096329809
Energy: 1.0399001939559906
Energy: 0.856332447225914
Energy: 0.9845195943168755
Energy: 0.6542596305111034
Energy: 0.9845195943168755
Energy: 0.6281432137530398
Energy: 1.107895069849312
Energy: 1.09891488285389
Energy: 1.107895069849312
Energy: 0.8260486965787308
Energy: 1.1140267086210625
Energy: 0.6244564007377569
Energy: 1.1140267086210625
Energy: 0.6261533086484374
Energy: 1.0400980708684908
Energy: 0.9096064416498667
Energy: 1.0400980708704939
Energy: 0.8223029457614133
Energy: 1.0518187965745396
Energy: 0.626545249012603
Energy: 1.051818796573872
Energy: 0.6279598227017336
Energy: 1.0695390732994965
Energy: 0.8345086597611067
Energy: 1.0695390732981613
Energy: 0.8320915421351258
Energy: 1.1132559796978037
Energy: 0.6303551773123116
Energy: 1.1132559796978037
Energy: 0.6260506405823556
Energy: 1.0396028139226674
Energy: 0.5889644398593418
Energy: 1.039602813923335
Energy: 1.0916217940358084
Energy: 1.0399943011723911
Energy: 0.6266348737236265
Energy: 1.0399943011723911
Energy: 0.6560096943276221
Energy: 1.0697942570594619
Energy: 0.5893644564497631
Energy: 1.0697942570594619
Energy: 1.0663099681790185
Energy: 1.1185957797344854
Energy: 0.6303948460919099
Energy: 1.118595779735821
Energy: 0.9569483529867684
Energy: 1.0988954817394903
Energy: 0.5907498012573819
Energy: 1.0988954817388226
Energy: 1.1617984326254118
Energy: 1.0439086840569067
Energy: 0.6268133738371214
Energy: 1.0439086840555716
Energy: 0.655523959750526
Energy: 1.1371553981454425
Energy: 0.5976372871536679
Energy: 1.1371553981454425
Energy: 0.9408027333917645
Energy: 1.1171409972520259
Energy: 0.6304469202085021
Energy: 1.1171409972526936
Energy: 0.6261020994667035
Energy: 1.110487300569943
Energy: 0.8255983677007569
Energy: 1.1104873005692755
Energy: 0.9103328966298188
Energy: 1.044716471496057
Energy: 0.6267987776743037
Energy: 1.044716471496057
Energy: 0.6281240622967055
Energy: 1.1379435170236751
Energy: 0.8208349704737902
Energy: 1.1379435170243428
Energy: 0.6018016794944561
Energy: 1.0733457938172366
Energy: 0.6304735226317637
Energy: 1.0733457938172366
Energy: 0.6061264936906751
Energy: 1.1108349014082683
Energy: 0.8306187498009188
Energy: 1.1108349014082683
Energy: 0.589371780292537
Energy: 1.0427051262565126
Energy: 0.6284353531377778
Energy: 1.0427051262551774
Energy: 0.62823354398109
Energy: 1.1378799603897176
Energy: 1.0855392318023749
Energy: 1.1378799603897176

minimum gb energy = 0.5889644398593418 eV
minimum distance =  2.22684564352741 Angstroms
sigma value = 85


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

Energy: 0.907882783072019
Energy: 1.034919651962914
Energy: 0.6908006780610476
Energy: 1.034919651962914
Energy: 1.2735904578232267
Energy: 0.9794398413853883
Energy: 0.5735605768961273
Energy: 0.9794398413853883
Energy: 0.8675989363756998
Energy: 0.9256094588343389
Energy: 0.7436559949563416
Energy: 0.9256094588343389
Energy: 1.2309498067662454
Energy: 0.979852767123618
Energy: 0.5734112218713172
Energy: 0.979852767123618
Energy: 0.6122339610574234
Energy: 0.8885700346510825
Energy: 0.688776541825206
Energy: 0.8885700346510825
Energy: 1.1338240053739834
Energy: 0.9800715193748404
Energy: 0.5736831940235444
Energy: 0.9800715193754194
Energy: 0.5717673673833142
Energy: 0.9460608748363366
Energy: 0.7981849392385388
Energy: 0.9460608748363366
Energy: 0.8001559826127341
Energy: 0.9778914293398095
Energy: 0.5741306911269747
Energy: 0.9778914293398095
Energy: 0.5735018842268286
Energy: 0.9054614120691464
Energy: 0.9450228457007988
Energy: 0.9054614120697255
Energy: 0.6615246870809597
Energy: 0.9463161264004373
Energy: 0.5722273975843856
Energy: 0.9463161263998583
Energy: 0.5743560914007468
Energy: 0.9801589658818745
Energy: 1.0090505127939564
Energy: 0.9801589658818745
Energy: 0.5202945021292156
Energy: 0.9780933331700437
Energy: 0.6128058769883828
Energy: 0.9780933331694646
Energy: 0.573328197635551
Energy: 0.9057384359254596
Energy: 1.1480162577338127
Energy: 0.9057384359254596
Energy: 0.6535070171935458
Energy: 0.9260664757343242
Energy: 0.8658577478344434
Energy: 0.9260664757343242
Energy: 0.5744523021031736
Energy: 0.9794016244832678
Energy: 1.1490650720018758
Energy: 0.9794016244803727
Energy: 0.5208513100464244
Energy: 1.0261090783558005
Energy: 0.9062407786067241
Energy: 1.0261090783558005
Energy: 0.5735180180663817
Energy: 0.9054614610515701
Energy: 1.197670389786958
Energy: 0.9054614610515701
Energy: 0.7446893605475705
Energy: 0.9241589567507853
Energy: 0.8658653080112959
Energy: 0.9241589567507853
Energy: 0.5743798924756408
Energy: 0.9793222319072826
Energy: 1.0271225441758984
Energy: 0.9793222319072826
Energy: 0.7277771704521276
Energy: 1.0451876167551186
Energy: 0.6127669267769972
Energy: 1.0451876167551186
Energy: 0.5732960187021078
Energy: 0.9051751648678815
Energy: 0.9195405292211594
Energy: 0.9051751648678815
Energy: 0.720017713523155
Energy: 0.9765505425126803
Energy: 0.57232749350845
Energy: 0.9765505425132592
Energy: 0.5748218077266164
Energy: 0.977317186703943
Energy: 0.800818582849029
Energy: 0.977317186703943
Energy: 0.7372088233602733
Energy: 1.0489798298408288
Energy: 0.5734783223649562
Energy: 1.0489798298408288
Energy: 0.5737315788458361
Energy: 0.7703973288619066
Energy: 0.6618084577066454
Energy: 0.7703973288619066
Energy: 0.9743688233878257
Energy: 0.9770456776148905
Energy: 0.5758698394606416
Energy: 0.9770456776143115
Energy: 0.6139881890289256
Energy: 0.9775588985151749
Energy: 0.5201081513478041
Energy: 0.9775588985145958
Energy: 0.998424790148819
Energy: 1.0498649918255003
Energy: 0.573456377657272
Energy: 1.0498649918255003
Energy: 0.8650215393722955
Energy: 0.9240034397524345
Energy: 0.6529425970449555
Energy: 0.9240034397524345
Energy: 1.1488074081403212
Energy: 0.9771995067264647
Energy: 0.575869350555399
Energy: 0.9771995067258857
Energy: 0.9053775992895188
Energy: 1.0265495028819158
Energy: 0.5213662666925182
Energy: 1.0265495028819158
Energy: 1.0592285879230199
Energy: 1.0500649033118363
Energy: 0.5736121697164784
Energy: 1.0500649033118363
Energy: 0.8651011842328306
Energy: 0.9237970436597347
Energy: 0.5143283840499661
Energy: 0.9237970436597347
Energy: 1.0271271494766723
Energy: 0.9806706157807964
Energy: 0.5752296721526011
Energy: 0.9806706157813755
Energy: 0.6146472776665782
Energy: 1.0453589168921684
Energy: 0.7275510655922902
Energy: 1.0453589168921684
Energy: 0.8307728292218863
Energy: 1.049361279056093
Energy: 0.5736346576515873
Energy: 1.049361279056093
Energy: 0.5735276410500262
Energy: 0.9750321742758941
Energy: 0.7198738554117637
Energy: 0.9750321742758941
Energy: 0.8059045148796511
Energy: 0.9771012681396111
Energy: 0.5752643257933674
Energy: 0.9771012681396111
Energy: 0.5744921374356569
Energy: 1.0453729176119246
Energy: 0.7384660414256445
Energy: 1.0453729176125035
Energy: 0.5395175960732201
Energy: 1.0228301383531053
Energy: 0.5747614132766107
Energy: 1.0228301383531053
Energy: 0.5725181299489327
Energy: 0.9748837072498391
Energy: 0.979862991154111
Energy: 0.9748837072498391
Energy: 0.5200722544808872
Energy: 0.9771160591548634
Energy: 0.616312893488397
Energy: 0.9771160591548634
Energy: 0.5746277650820413
Energy: 1.045247466918581
Energy: 0.998191261208071
Energy: 1.045247466918581

minimum gb energy = 0.5143283840499661 eV
minimum distance =  2.23374189074202 Angstroms
sigma value = 113


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

Energy: 0.018679545343793527
Energy: 0.019163931483519345
Energy: 0.8504509455208819
Energy: 0.0191639314826291
Energy: 0.7764053353450419
Energy: 0.2722896006554083
Energy: 0.27193304998469875
Energy: 0.2722896006554083
Energy: 0.018679545344238654
Energy: 0.019163931483915014
Energy: 0.8504509455213269
Energy: 0.0191639314826291
Energy: 0.7764053353450419
Energy: 0.2722896006554083
Energy: 0.27193304998469875
Energy: 0.2722896006554083
Energy: 0.018679545344238654
Energy: 0.019163931483519345
Energy: 0.8504509455217721
Energy: 0.01916393148307422
Energy: 0.7764053353450419
Energy: 0.2722896006550126
Energy: 0.27193304998469875
Energy: 0.2722896006554083

minimum gb energy = 0.018679545343793527 eV
minimum distance =  2.53344906339599 Angstroms
sigma value = 1