Model name: model_name=Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Fe__SM_267016608755_000
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=4.255447061354488
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: 0.01650547996143478
Energy: 0.017357597947071975
Energy: 0.26399398794138496
Energy: 0.017357597947071975
Energy: 0.017357597947071975
Energy: 1.291026854123364
Energy: 0.017357597947071975
Energy: 1.291026854123364
Energy: 0.26399398794138496
Energy: 0.017357597947071975
Energy: 0.01650547996143478
Energy: 0.017357597947071975
Energy: 0.017357597947071975
Energy: 1.291026854123364
Energy: 0.017357597946477444
Energy: 1.291026854123364

minimum gb energy = 0.01650547996143478 eV
minimum distance =  2.49143572356691 Angstroms
sigma value = 1


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

Energy: 1.1387611387414456
Energy: 1.164207806019679
Energy: 0.9877505028013163
Energy: 1.164207806019679
Energy: 1.0441590393767168
Energy: 1.123401811696546
Energy: 1.0450202103808466
Energy: 1.123401811696546
Energy: 0.9402128392109775
Energy: 1.1501590410127895
Energy: 1.1007524990732924
Energy: 1.1501590410127895
Energy: 1.015262646442324
Energy: 1.1777087285103534
Energy: 1.0332027442282765
Energy: 1.1777087285111172
Energy: 1.0466838933828242
Energy: 1.1693227612004518
Energy: 1.0444824224762586
Energy: 1.1693227612004518
Energy: 0.9752760048489206
Energy: 1.3353687721430492
Energy: 1.0029930951539203
Energy: 1.3353687721438126
Energy: 1.0760265225161292
Energy: 1.1460061532608516
Energy: 0.97665359842607
Energy: 1.1460061532608516
Energy: 0.8875066663278441
Energy: 1.1716354374948146
Energy: 0.9776605514160885
Energy: 1.1716354374955782
Energy: 1.0329612937063926
Energy: 1.3475090998330792
Energy: 1.028694259647668
Energy: 1.347509100274215
Energy: 0.9913899716682198
Energy: 1.1490069925647561
Energy: 0.8676392749949363
Energy: 1.1490069925639925
Energy: 1.0377056340349258
Energy: 1.119057860151143
Energy: 1.0332057397589272
Energy: 1.119057860151143
Energy: 0.9913014028464907
Energy: 1.1716234744341254
Energy: 1.0135727459233141
Energy: 1.1716234744341254
Energy: 1.043372263647535
Energy: 1.1451336093396096
Energy: 1.0756339905926884
Energy: 1.1451336093396096
Energy: 1.069898288765292
Energy: 1.1559946458243129
Energy: 1.014840797578987
Energy: 1.155994645825076
Energy: 1.0534488676230125
Energy: 1.1647795082427983
Energy: 1.0326853592046108
Energy: 1.1647795082435615
Energy: 1.0579143467409562
Energy: 1.1682635970503152
Energy: 1.050171887364359
Energy: 1.168263597049552
Energy: 1.1011256427202918
Energy: 1.150043792094017
Energy: 0.9507558663912269
Energy: 1.150043792094017
Energy: 1.0454232633701614
Energy: 1.1041925624479927
Energy: 1.0438057784569172
Energy: 1.1041925624479927
Energy: 0.889120317123674
Energy: 1.1689354526643445
Energy: 1.015633301969566
Energy: 1.1689354526651081
Energy: 1.0539926747029837
Energy: 1.286288283666025
Energy: 1.0351489317428484
Energy: 1.2862882836652616
Energy: 0.9904393818951688
Energy: 1.150153126857236
Energy: 0.8666381413610982
Energy: 1.150153126857236
Energy: 1.0336736489397451
Energy: 1.2997175220165036
Energy: 1.0232219215197569
Energy: 1.2997175220149768
Energy: 1.0266387831010066
Energy: 1.1692272494483449
Energy: 0.9537905515489057
Energy: 1.1692272494475813
Energy: 1.0113113063557129
Energy: 1.1478211683033281
Energy: 0.975324551283072
Energy: 1.1478211683040918
Energy: 0.9766154148745682
Energy: 1.3336487904982446
Energy: 1.075899404313988
Energy: 1.3336487904974812
Energy: 1.0763745550652728
Energy: 1.1720426116934652
Energy: 0.9581117561650173
Energy: 1.1720426116927019
Energy: 1.0219238461060776
Energy: 1.3432921868917946
Energy: 1.0328954080919641
Energy: 1.3432921868917946
Energy: 0.9430852300559156
Energy: 1.1467195921399855
Energy: 1.0930767520879257
Energy: 1.1467195921392221
Energy: 1.0427983481858756
Energy: 1.119443363297753
Energy: 1.0368217611460837
Energy: 1.119443363297753
Energy: 1.0566694224872382
Energy: 1.1654121821639019
Energy: 0.9910515531580684
Energy: 1.165412182163138
Energy: 1.0476551118260347
Energy: 1.1539859138203687
Energy: 1.0434670748429407
Energy: 1.1539859138203687
Energy: 1.0149656589176808
Energy: 1.1467285582277962
Energy: 1.0698177733464176
Energy: 1.1467285582285596
Energy: 1.0465917694878568
Energy: 1.1801238780446819
Energy: 1.0364397779544527
Energy: 1.1801238780454455

minimum gb energy = 0.8666381413610982 eV
minimum distance =  2.28049528880394 Angstroms
sigma value = 1


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

Energy: 1.2100080021032145
Energy: 1.2547111862263503
Energy: 1.0459267917533859
Energy: 1.2547111862263503
Energy: 1.0959349372092482
Energy: 1.1993625145838571
Energy: 1.0957367930839395
Energy: 1.1993625145838571
Energy: 0.9987270274465953
Energy: 1.257251948928107
Energy: 1.0864869922586053
Energy: 1.2572519489272365
Energy: 1.077660999976815
Energy: 1.1691584068199419
Energy: 1.0168776756570055
Energy: 1.1691584068208123
Energy: 1.077966093047163
Energy: 1.231394210135538
Energy: 1.0594678701628688
Energy: 1.231394210135538
Energy: 1.094253140669727
Energy: 1.224636200105794
Energy: 1.0871804028226486
Energy: 1.224636200105794
Energy: 1.0878778604147266
Energy: 1.0885079222169454
Energy: 1.0168538107612244
Energy: 1.0885079222561165
Energy: 0.911862704904308
Energy: 1.2568109232356572
Energy: 1.0408911660392044
Energy: 1.2568109232356572
Energy: 1.0848644706544077
Energy: 1.724774798046475
Energy: 1.1053531047918128
Energy: 1.724774798046475
Energy: 1.093167911983032
Energy: 1.2570020120078176
Energy: 0.9009263896220369
Energy: 1.2570020120078176
Energy: 1.087991872284364
Energy: 1.1776545019650841
Energy: 1.0966842054802701
Energy: 1.1776545019650841
Energy: 1.0010723926365606
Energy: 1.2401562644922697
Energy: 1.1514651498695132
Energy: 1.2401562644922697
Energy: 1.115420406398692
Energy: 1.2246459107973573
Energy: 1.075881865149987
Energy: 1.2246459107973573
Energy: 1.1157956267342655
Energy: 1.224945465455704
Energy: 1.0136668207838087
Energy: 1.224945465455704
Energy: 1.0008970400683477
Energy: 1.2402909810283447
Energy: 1.086271648458245
Energy: 1.2402909810283447
Energy: 1.0879908812014263
Energy: 1.1776251792877261
Energy: 1.0966067354331133
Energy: 1.1776251792885968
Energy: 1.0931422947099019
Energy: 1.2570247586347563
Energy: 0.938102769285733
Energy: 1.2570247586347563
Energy: 1.0848678447776505
Energy: 1.72479751926093
Energy: 1.1051964989506726
Energy: 1.72479751926093
Energy: 0.9119874873910337
Energy: 1.2568051367198878
Energy: 1.0176631944562138
Energy: 1.2568051367198878
Energy: 1.0877991154196238
Energy: 1.0886723944612422
Energy: 1.0289319911086543
Energy: 1.0886723944621126
Energy: 1.0942125419858113
Energy: 1.2302951703760432
Energy: 0.9881805387830752
Energy: 1.2302951703769138
Energy: 1.0780123466165703
Energy: 1.226170339305141
Energy: 1.0829969685164473
Energy: 1.2261703393042704
Energy: 1.0776038319197179
Energy: 1.1687169823795762
Energy: 1.0167837740706516
Energy: 1.1687169823787058
Energy: 0.9987886639668092
Energy: 1.2571535093634147
Energy: 1.0862416036906157
Energy: 1.2571535093634147
Energy: 1.096088737561974
Energy: 1.199222906577992
Energy: 1.0956617407741809
Energy: 1.199222906577992
Energy: 1.2100080021032145
Energy: 1.2547111862263503
Energy: 1.0146960713928306
Energy: 1.2547111862263503
Energy: 1.0959349372092482
Energy: 1.1993625145829865
Energy: 1.095736793083069
Energy: 1.1993625145838571
Energy: 0.9987270274465953
Energy: 1.257251948928107
Energy: 1.1270533747200087
Energy: 1.2572519489272365
Energy: 1.077660999976815
Energy: 1.1691584068199419
Energy: 1.0331985482489643
Energy: 1.1691584068199419

minimum gb energy = 0.9009263896220369 eV
minimum distance =  2.25005392253746 Angstroms
sigma value = 25


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

Energy: 1.2022311097839122
Energy: 1.3223366389886704
Energy: 1.1122556943508801
Energy: 1.3223366389886704
Energy: 1.1909503802387356
Energy: 1.274947967540535
Energy: 1.164088601761984
Energy: 1.274947967539523
Energy: 1.0693643359594875
Energy: 1.3703736216990086
Energy: 1.1502524413166864
Energy: 1.3703736216990086
Energy: 1.12397607995316
Energy: 1.3300603646688283
Energy: 1.0911346538027604
Energy: 1.3300603646678164
Energy: 1.0925520509874784
Energy: 1.3236188324474982
Energy: 1.1779349359576399
Energy: 1.3236188324474982
Energy: 1.186826708009212
Energy: 1.3698878528682161
Energy: 1.2859267694584664
Energy: 1.3698878528682161
Energy: 1.1797321301492663
Energy: 1.1665554302554388
Energy: 1.1396035858372224
Energy: 1.1665554302554388
Energy: 1.1480327686873046
Energy: 1.327074187488274
Energy: 1.005251607615343
Energy: 1.327074187487262
Energy: 1.141608983177659
Energy: 1.2567113892731314
Energy: 1.1799406459777146
Energy: 1.256711389274143
Energy: 1.1520894948965803
Energy: 1.3692743785481534
Energy: 1.0737678528400456
Energy: 1.3692743785491654
Energy: 1.149730773370185
Energy: 1.3217101608445077
Energy: 1.1872289880425095
Energy: 1.3217101608445077
Energy: 1.1051363895758077
Energy: 1.3216335215127955
Energy: 1.1880610321112037
Energy: 1.3216335215127955
Energy: 1.150136312348941
Energy: 1.2773498450589662
Energy: 1.072840018031836
Energy: 1.2773498450589662
Energy: 1.141467722672897
Energy: 1.1496239633066605
Energy: 1.1803599055348002
Energy: 1.1496239633056486
Energy: 0.9412281164812365
Energy: 1.3283234147553307
Energy: 1.0026861662386033
Energy: 1.3283234147553307
Energy: 1.1791892630099072
Energy: 1.165255285321692
Energy: 1.0926418733215915
Energy: 1.165255285321692
Energy: 0.9633419010631274
Energy: 1.3705583285373248
Energy: 0.9629852394841375
Energy: 1.3705583285373248
Energy: 1.0925710389430805
Energy: 1.2852689116576006
Energy: 1.1486393592686726
Energy: 1.2852689116565887
Energy: 1.1214399641282562
Energy: 1.3319886475785396
Energy: 1.0925142163100348
Energy: 1.3319886475785396
Energy: 1.178980110633895
Energy: 1.369477699332413
Energy: 1.1654019018458546
Energy: 1.369477699332413
Energy: 1.1825070829392579
Energy: 1.2404685388076604
Energy: 1.1649473430607808
Energy: 1.2404685388076604
Energy: 1.1989471673945382
Energy: 1.323850797960916
Energy: 1.1374803229531523
Energy: 1.323850797960916
Energy: 1.1892220648848222
Energy: 1.2658782456915947
Energy: 1.1630783028798048
Energy: 1.2658782456915947
Energy: 1.0681925231796365
Energy: 1.3694073631998642
Energy: 1.1516283350870533
Energy: 1.369407363200876
Energy: 1.1651564648111314
Energy: 1.2026414743959557
Energy: 1.0914475298828952
Energy: 1.2026414743959557

minimum gb energy = 0.9412281164812365 eV
minimum distance =  2.2426164045603 Angstroms
sigma value = 9


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

Energy: 1.3263688072947029
Energy: 1.4164514629464213
Energy: 1.1883871911245496
Energy: 1.4164514629464213
Energy: 1.2193662969678145
Energy: 1.3790362026622922
Energy: 1.2586780923126708
Energy: 1.3790362026622922
Energy: 1.1504872370249666
Energy: 1.4259863378543998
Energy: 1.2337567830499223
Energy: 1.4259863378543998
Energy: 1.4666085718892947
Energy: 1.4560214393678517
Energy: 1.0888744993104649
Energy: 1.4560214393678517
Energy: 1.3119489496717598
Energy: 1.3577552928707286
Energy: 1.2829292514552357
Energy: 1.3577552928695216
Energy: 1.0183519501620157
Energy: 1.421330615014058
Energy: 1.2074752126007648
Energy: 1.421330615014058
Energy: 1.2894250089227164
Energy: 1.0887162761891351
Energy: 1.0905303075461654
Energy: 1.0887162761891351
Energy: 1.1268202596359056
Energy: 1.4255335424945552
Energy: 1.0804107431591654
Energy: 1.4255335424945552
Energy: 1.295919710260331
Energy: 1.3779452574429467
Energy: 1.2838621986008423
Energy: 1.3779452574429467
Energy: 1.2771015119478402
Energy: 1.416581260981849
Energy: 1.2075070517592779
Energy: 1.416581260981849
Energy: 1.1654059358821387
Energy: 1.3968698270528257
Energy: 1.233566099761925
Energy: 1.3968698270528257
Energy: 1.3333825712374394
Energy: 1.4161147650232704
Energy: 1.088613799722524
Energy: 1.4161147650232704
Energy: 1.0187512013668962
Energy: 1.4263066801851636
Energy: 1.0564799157259253
Energy: 1.4263066801851636
Energy: 1.1842289112091327
Energy: 2.0101017012008953
Energy: 1.2471879841596325
Energy: 2.0101017012008953
Energy: 1.0186323560064836
Energy: 1.4261759808528516
Energy: 0.9889162520594045
Energy: 1.4261759808528516
Energy: 1.3333727607288122
Energy: 1.4160844187000525
Energy: 1.0886602820213525
Energy: 1.4160844187000525
Energy: 1.1654725147150087
Energy: 1.3967963833209147
Energy: 1.2335470343606678
Energy: 1.3967963833209147
Energy: 1.277039800141651
Energy: 1.4164728850587749
Energy: 1.2075040262013448
Energy: 1.4164728850587749
Energy: 1.2955313777844126
Energy: 1.377838927187569
Energy: 1.2838802924324721
Energy: 1.377838927187569
Energy: 1.1268837590391556
Energy: 1.4254340352757497
Energy: 1.0804403088344605
Energy: 1.4254340352757497
Energy: 1.2894950544280988
Energy: 1.0886557903117473
Energy: 1.0905983446178855
Energy: 1.0886557903117473

minimum gb energy = 0.9889162520594045 eV
minimum distance =  2.30325457401796 Angstroms
sigma value = 25


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

Energy: 1.1508007836941447
Energy: 1.492956828574116
Energy: 1.306130386075399
Energy: 1.4929568285726231
Energy: 1.1133536663771657
Energy: 1.4872788486573634
Energy: 1.0804470291353785
Energy: 1.4872788486588562
Energy: 1.2757145840223711
Energy: 1.5428703690517798
Energy: 1.080134857664065
Energy: 1.5428703690517798
Energy: 1.3406557011964886
Energy: 1.4616186274544292
Energy: 1.3675490640196026
Energy: 1.4616186274544292
Energy: 1.2141036508493195
Energy: 1.264876939359213
Energy: 1.2518990971520825
Energy: 1.264876939359213
Energy: 1.0857877765927166
Energy: 1.552546208758125
Energy: 1.0810499814392118
Energy: 1.552546208758125
Energy: 1.2512797198825434
Energy: 1.3082799043726976
Energy: 1.2752188734636174
Energy: 1.308279904371205
Energy: 1.367343681866619
Energy: 1.4921040431647346
Energy: 1.1482151441761153
Energy: 1.4921040431647346
Energy: 1.0801715062185524
Energy: 1.3259382575805079
Energy: 1.114955196277738
Energy: 1.3259382575805079
Energy: 1.2984139030787398
Energy: 1.5096842537393311
Energy: 1.2740774926634737
Energy: 1.5096842537393311
Energy: 1.0534317874713466
Energy: 1.4921046406848475
Energy: 1.3361726550109305
Energy: 1.4921046406833547
Energy: 1.254319579469117
Energy: 1.7503580716033023
Energy: 1.300520434366898
Energy: 1.7503580716047948
Energy: 1.2173210310054408
Energy: 1.5425865866052366
Energy: 1.08076992367682
Energy: 1.5425865866052366
Energy: 1.2541141915324965
Energy: 1.4628633341272999
Energy: 1.340988174965947
Energy: 1.4628633341272999
Energy: 1.3960264237509175
Energy: 1.4904136803244257
Energy: 1.397322297328942
Energy: 1.4904136803244257
Energy: 1.1118654293136487
Energy: 1.5097206007545512
Energy: 1.0857809648676993
Energy: 1.5097206007545512
Energy: 1.275754849552611
Energy: 1.1958146714214417
Energy: 1.2998829472154534
Energy: 1.1958146714214417

minimum gb energy = 1.0534317874713466 eV
minimum distance =  2.29351505518478 Angstroms
sigma value = 17


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

Energy: 1.3741802678348127
Energy: 1.3425324562038041
Energy: 1.4012408004491408
Energy: 1.3425324562038041
Energy: 1.3031637188041916
Energy: 1.298762129118428
Energy: 1.1264249341306303
Energy: 1.298762129118428
Energy: 1.3424419747855951
Energy: 1.4318591301141657
Energy: 1.1263057202500297
Energy: 1.4318591301141657
Energy: 1.1291602976207575
Energy: 1.460869552818599
Energy: 1.2763326140452511
Energy: 1.460869552818599
Energy: 1.3029523630260305
Energy: 1.4299872965268912
Energy: 1.2381104993096064
Energy: 1.4299872965268912
Energy: 1.1601342060549764
Energy: 1.3436315802078354
Energy: 1.2088336824905703
Energy: 1.3436315802078354
Energy: 1.239121157236064
Energy: 1.3376422966266666
Energy: 1.2356723391427584
Energy: 1.3376422966266666
Energy: 1.2103080431597775
Energy: 1.3439487897727418
Energy: 1.1563232855236947
Energy: 1.3439487897702052
Energy: 1.1624545467426348
Energy: 1.4618464181977617
Energy: 1.383747267877313
Energy: 1.4618464181977617
Energy: 1.3671658858245626
Energy: 1.2864985566238099
Energy: 1.1290383121552838
Energy: 1.2864985566238099
Energy: 1.1327081608762042
Energy: 1.3439054307490297
Energy: 1.2412017496235035
Energy: 1.3439054307490297
Energy: 1.2643487736082668
Energy: 1.336724341382108
Energy: 1.2643068112238178
Energy: 1.336724341382108
Energy: 1.2836535909309608
Energy: 1.3426229619598462
Energy: 1.3409372351657678
Energy: 1.3426229619598462
Energy: 1.1263671126139565
Energy: 1.589913972773148
Energy: 1.3039588608099233
Energy: 1.589913972773148
Energy: 1.2634183806129302
Energy: 1.420584696515569
Energy: 1.2664746070449018
Energy: 1.420584696515569
Energy: 1.2359225292465088
Energy: 1.3437138327332343
Energy: 1.2095292906325708
Energy: 1.3437138327349256
Energy: 1.2354840143526662
Energy: 1.417365911838332
Energy: 1.4038589511422417
Energy: 1.4173659118374864
Energy: 1.2183617701621487
Energy: 1.3198427751612596
Energy: 1.1598393685808133
Energy: 1.319842775160414
Energy: 1.3205134003129184
Energy: 1.463968681347462
Energy: 1.1964527681264736
Energy: 1.463968681347462
Energy: 1.314788158606743
Energy: 1.343269514031325
Energy: 1.2385671886749858
Energy: 1.3432695140296345
Energy: 1.1688087248035322
Energy: 1.431722784515684
Energy: 1.2366115157893625
Energy: 1.4317227845165295
Energy: 1.2362961999705826
Energy: 1.330777814728874
Energy: 1.3681015519960487
Energy: 1.3307778147280283
Energy: 1.2851110789206248
Energy: 1.342667812211223
Energy: 1.1273114569912792
Energy: 1.342667812211223
Energy: 1.2646684801781027
Energy: 1.4248815883464885
Energy: 1.4099076955253032
Energy: 1.4248815883456432
Energy: 1.3462260981718426
Energy: 1.4316800192620283
Energy: 1.411435600751687
Energy: 1.4316800192620283
Energy: 1.350326486213468
Energy: 1.3430806824191126
Energy: 1.1286029838679814
Energy: 1.3430806824182673
Energy: 1.238234907575316
Energy: 1.3421735718100252
Energy: 1.4279871829456114
Energy: 1.3421735718100252
Energy: 1.2086049329590252
Energy: 1.3436208306120172
Energy: 1.2382666165691127
Energy: 1.3436208306120172
Energy: 1.3677218029702032
Energy: 1.5721825711244175
Energy: 1.2388975856373332
Energy: 1.572182571125263
Energy: 1.1561646344476202
Energy: 1.4623236562190467
Energy: 1.2183821709791312
Energy: 1.4623236562190467

minimum gb energy = 1.1263057202500297 eV
minimum distance =  2.18917065377146 Angstroms
sigma value = 53


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

Energy: 1.114122448459684
Energy: 1.1128866670520183
Energy: 1.4271786528766974
Energy: 1.1128866670520183
Energy: 1.32173860150715
Energy: 1.290186402328421
Energy: 1.0859726823016633
Energy: 1.290186402328421
Energy: 1.1329598627197925
Energy: 1.1127012728040575
Energy: 1.1560557106228968
Energy: 1.1127012728040575
Energy: 1.1333801109717996
Energy: 1.1126124891557243
Energy: 1.1571799975816894
Energy: 1.1126124891557243
Energy: 1.3219609405095878
Energy: 1.2902230569452324
Energy: 1.086052323898343
Energy: 1.290223056943286
Energy: 1.114122448459684
Energy: 1.1128866670520183
Energy: 1.3439359915457696
Energy: 1.1128866670520183
Energy: 1.32173860150715
Energy: 1.2901864023245724
Energy: 1.1562161342013308
Energy: 1.2901864023245724
Energy: 1.132959862717846
Energy: 1.1127012728040575
Energy: 1.2932382954658852
Energy: 1.1127012728040575
Energy: 1.133380110973746
Energy: 1.1126124891557243
Energy: 1.222631633062816
Energy: 1.1126124891557243
Energy: 1.3219609405095878
Energy: 1.2902230569491253
Energy: 1.4013352364127392
Energy: 1.2902230569471789
Energy: 1.114122448459684
Energy: 1.1128866670520183
Energy: 1.386875749222577
Energy: 1.1128866670520183
Energy: 1.32173860150715
Energy: 1.2901864023206797
Energy: 1.222547943207808
Energy: 1.2901864023206797
Energy: 1.1329598627197925
Energy: 1.1127012728040575
Energy: 1.2932382460175154
Energy: 1.1127012728040575

minimum gb energy = 1.0859726823016633 eV
minimum distance =  2.28130628772923 Angstroms
sigma value = 9


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

Energy: 1.241786035845654
Energy: 1.5707432866680193
Energy: 1.529366534483594
Energy: 1.5707432866687396
Energy: 1.5054448050661986
Energy: 1.2637217269236187
Energy: 1.216798648835701
Energy: 1.2637217269236187
Energy: 1.169873836437539
Energy: 1.2160537267734834
Energy: 1.1934222825303862
Energy: 1.216053726771322
Energy: 1.2583653416752065
Energy: 1.5886810998750054
Energy: 1.1892492575532239
Energy: 1.588681099874285
Energy: 1.2906410160110962
Energy: 1.2849986051987172
Energy: 1.1959267521154175
Energy: 1.2849986051987172
Energy: 1.2182654053799287
Energy: 1.2166202542386229
Energy: 1.2384548924440926
Energy: 1.2166202542393434
Energy: 1.5346096273714673
Energy: 1.2746994899877413
Energy: 1.2165372681176125
Energy: 1.2746994899877413
Energy: 1.1924045585820522
Energy: 1.5935074080750342
Energy: 1.2846569724631056
Energy: 1.593507408074314
Energy: 1.1731724427778547
Energy: 1.6090952604002615
Energy: 1.2163666916874916
Energy: 1.6090952604002615
Energy: 1.1714312437138834
Energy: 1.2596006234738013
Energy: 1.2175725409267102
Energy: 1.2596006234738013
Energy: 1.194810238371369
Energy: 1.639070109346649
Energy: 1.3995415498191082
Energy: 1.639070109346649
Energy: 1.3626702906540953
Energy: 1.6911574755846028
Energy: 1.2020347392201371
Energy: 1.6911574755846028
Energy: 1.1734272336155356
Energy: 1.409483378523365
Energy: 1.4734242785708453
Energy: 1.409483378523365
Energy: 1.2629110304982942
Energy: 1.5972697193677394
Energy: 1.2491915952353851
Energy: 1.5972697193670191
Energy: 1.2195429670598827
Energy: 1.4275421383729023
Energy: 1.3931760931524153
Energy: 1.4275421383729023
Energy: 1.177427114314951
Energy: 1.611350900499675
Energy: 1.2443585954885883
Energy: 1.611350900499675
Energy: 1.2532625923815093
Energy: 1.4273911166309605
Energy: 1.2197866138483762
Energy: 1.4273911166309605
Energy: 1.1987156141778115
Energy: 1.2751308947223998
Energy: 1.3987241705975066
Energy: 1.2751308947223998
Energy: 1.3509285660756716
Energy: 1.4067114802087628
Energy: 1.2207911789140684
Energy: 1.4067114802094831
Energy: 1.1991785637980303
Energy: 1.2855043015336591
Energy: 1.2859297998626167
Energy: 1.2855043015343794
Energy: 1.256874311524458
Energy: 1.5864095264506113
Energy: 1.26103577105105
Energy: 1.5864095264506113
Energy: 1.2838764971829368
Energy: 1.3199939532510423
Energy: 1.1713395631887205
Energy: 1.3199939532510423
Energy: 1.2176116208536545
Energy: 1.439063955084629
Energy: 1.1733853934587193
Energy: 1.4390639550853495
Energy: 1.4596101538885309
Energy: 1.3829759348707955
Energy: 1.1926395291233363
Energy: 1.3829759348715158
Energy: 1.2164582121572491
Energy: 1.6525239153657485
Energy: 1.5212048145923132
Energy: 1.6525239153657485
Energy: 1.2046362828366013
Energy: 1.2172020939197135
Energy: 1.1706890767220666
Energy: 1.2172020939189934
Energy: 1.3810555891994254
Energy: 1.4284948433242906
Energy: 1.2576892878144739
Energy: 1.4284948433250109
Energy: 1.2385774884243943
Energy: 1.5882546560143898
Energy: 1.2587378135112035
Energy: 1.5882546560143898
Energy: 1.2302390984390204
Energy: 1.2169057171799247
Energy: 1.1697716171252843
Energy: 1.2169057171813655
Energy: 1.2161561053411019
Energy: 1.655276861137797
Energy: 1.5023659874587032
Energy: 1.6552768611385176
Energy: 1.4323015145102074
Energy: 1.5717670688583645
Energy: 1.1915410906192325
Energy: 1.571767068859085
Energy: 1.216199484382862
Energy: 1.2762883141908132
Energy: 1.1711410547484322
Energy: 1.2762883141900931
Energy: 1.2159944664019358
Energy: 1.3231514958060786
Energy: 1.170051337026484
Energy: 1.323151495807519
Energy: 1.2576465820021556
Energy: 1.5882247853455524
Energy: 1.2582445659641384
Energy: 1.5882247853455524
Energy: 1.1979166389538498
Energy: 1.444682803555844
Energy: 1.5358488030311646
Energy: 1.4446828035565646

minimum gb energy = 1.1697716171252843 eV
minimum distance =  2.23314275573149 Angstroms
sigma value = 73


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

Energy: 1.2445961931311336
Energy: 1.2424531913047725
Energy: 1.506780421293957
Energy: 1.2424531913047725
Energy: 1.2719171427733331
Energy: 1.3605118880832434
Energy: 1.2473211178270394
Energy: 1.3605118880832434
Energy: 1.2202014125229814
Energy: 1.2418932773655411
Energy: 1.203632179802705
Energy: 1.2418932773655411
Energy: 1.1667789128905164
Energy: 1.3609910595304324
Energy: 1.217067859033386
Energy: 1.3609910595304324
Energy: 1.1644811083434055
Energy: 1.3279331894509212
Energy: 1.2038629297644914
Energy: 1.3279331894497783
Energy: 1.220013046486449
Energy: 1.5400283332243616
Energy: 1.3324256584951981
Energy: 1.5400283332243616
Energy: 1.5264185469901728
Energy: 1.6815042594686833
Energy: 1.248749985551892
Energy: 1.6815042594686833
Energy: 1.1660946290604555
Energy: 1.2424236547918448
Energy: 1.5303956605721536
Energy: 1.2424236547918448
Energy: 1.385525892217707
Energy: 1.243038517302287
Energy: 1.242058553651084
Energy: 1.243038517302287
Energy: 1.2453325043064312
Energy: 1.28884662336957
Energy: 1.2462705439770454
Energy: 1.28884662336957
Energy: 1.1631596482436302
Energy: 1.5317933369256684
Energy: 1.3848187345183771
Energy: 1.5317933369256684
Energy: 1.3588422706311398
Energy: 1.3483016339453666
Energy: 1.1662156425025099
Energy: 1.3483016339453666
Energy: 1.2168846656362609
Energy: 1.3121637361536709
Energy: 1.3236659106290278
Energy: 1.3121637361536709
Energy: 1.4795108651328275
Energy: 1.3136127498420385
Energy: 1.2206531906259004
Energy: 1.3136127498420385
Energy: 1.2039058206383413
Energy: 1.3058322691766158
Energy: 1.3588736139526476
Energy: 1.3058322691777589
Energy: 1.3853902761132468
Energy: 1.2426041689993579
Energy: 1.1667844831573675
Energy: 1.2426041689993579
Energy: 1.248340733635143
Energy: 1.5178269865344287
Energy: 1.2207318342840712
Energy: 1.5178269865344287
Energy: 1.242147640688738
Energy: 1.2432233214230848
Energy: 1.218984638727682
Energy: 1.2432233214230848
Energy: 1.2917649769324706
Energy: 1.242295423419695
Energy: 1.1637662139729417
Energy: 1.242295423419695
Energy: 1.2475445422470353
Energy: 1.3058323290787706
Energy: 1.5269053120457527
Energy: 1.3058323290787706
Energy: 1.5728200775801275
Energy: 1.2306823028173777
Energy: 1.2200785696468135
Energy: 1.2306823028173777
Energy: 1.2474188052135036
Energy: 1.324805546624612
Energy: 1.3247766614663106
Energy: 1.324805546624612

minimum gb energy = 1.1631596482436302 eV
minimum distance =  2.24118893472291 Angstroms
sigma value = 7


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

Energy: 1.3686612175805897
Energy: 1.357017114919345
Energy: 1.4627529702962625
Energy: 1.3570171149201533
Energy: 1.4223924543577957
Energy: 1.4805023736280276
Energy: 1.2436351872376374
Energy: 1.4805023736280276
Energy: 1.204884622491904
Energy: 1.515630691315268
Energy: 1.2318371850693461
Energy: 1.51563069131446
Energy: 1.2014097135413346
Energy: 1.4423141562133657
Energy: 1.2511125997565242
Energy: 1.4423141562141737
Energy: 1.229063175202907
Energy: 1.3142058003614938
Energy: 1.3283709689583294
Energy: 1.3142058003614938
Energy: 1.2284150307421404
Energy: 1.2764687294193886
Energy: 1.323581050470204
Energy: 1.2764687294201968
Energy: 1.537620594226605
Energy: 1.4932232624632906
Energy: 1.2777395728980332
Energy: 1.4932232624632906
Energy: 1.2280957032477373
Energy: 1.2768014989274097
Energy: 1.5397192202334369
Energy: 1.2768014989274097
Energy: 1.3371941499918643
Energy: 1.430363815812107
Energy: 1.2575707235553832
Energy: 1.430363815812107
Energy: 1.2168324928362007
Energy: 1.3446400993672882
Energy: 1.4337445167525689
Energy: 1.34464009936648
Energy: 1.1995701323347385
Energy: 1.503569859802
Energy: 1.230067831604254
Energy: 1.503569859802
Energy: 1.3086791169869088
Energy: 1.4855568423239205
Energy: 1.2224278986359025
Energy: 1.4855568423239205
Energy: 1.2750697731565115
Energy: 1.4559023849716626
Energy: 1.2261654866200615
Energy: 1.4559023849716626
Energy: 1.249758502829927
Energy: 1.2567971078767406
Energy: 1.2257390923572566
Energy: 1.2567971078767406
Energy: 1.2149553280305736
Energy: 1.6418768069225724
Energy: 1.5028988209704264
Energy: 1.6418768069225724
Energy: 1.371281105161869
Energy: 1.3713568733936168
Energy: 1.2534867314685227
Energy: 1.3713568733928088
Energy: 1.24194522878177
Energy: 1.3387883700230325
Energy: 1.3124830743285447
Energy: 1.3387883700230325
Energy: 1.2581891579849385
Energy: 1.2840661252321335
Energy: 1.2224139102423182
Energy: 1.2840661252321335
Energy: 1.2222793257768423
Energy: 1.4818167510596298
Energy: 1.2266151719342882
Energy: 1.4818167510596298
Energy: 1.2354741196592633
Energy: 1.330880707129484
Energy: 1.288767469234248
Energy: 1.330880707129484
Energy: 1.197507173464973
Energy: 1.5168794817012998
Energy: 1.25771869947081
Energy: 1.5168794817021078
Energy: 1.2213893771683775
Energy: 1.4395213783895668
Energy: 1.510453037169993
Energy: 1.4395213783895668
Energy: 1.5364474456284933
Energy: 1.6643682138475533
Energy: 1.2297816233483059
Energy: 1.6643682138475533
Energy: 1.3621595149762435
Energy: 1.3573852073719774
Energy: 1.3568520757529516
Energy: 1.3573852073727857
Energy: 1.3635592448670388
Energy: 1.3137699150403979
Energy: 1.2529400784180025
Energy: 1.3137699150395896
Energy: 1.2041414434292472
Energy: 1.5132306852970197
Energy: 1.2240207784000976
Energy: 1.5132306852962114
Energy: 1.2056185128522936
Energy: 1.4465056344695117
Energy: 1.2802189832420652
Energy: 1.44650563447032
Energy: 1.248483336186118
Energy: 1.3319153699994677
Energy: 1.2785856799688144
Energy: 1.3319153699994677
Energy: 1.2238609663121434
Energy: 1.2765392504674626
Energy: 1.2164078828829294
Energy: 1.2765392504682707
Energy: 1.4639115250298873
Energy: 1.2708795985994321
Energy: 1.2426465781587472
Energy: 1.270879598598624
Energy: 1.2237612227545431
Energy: 1.481332999248968
Energy: 1.2889033003925934
Energy: 1.481332999248968

minimum gb energy = 1.197507173464973 eV
minimum distance =  2.23260209194644 Angstroms
sigma value = 29


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

Energy: 1.2788563121868093
Energy: 1.213355353179534
Energy: 1.47861789301497
Energy: 1.213355353179534
Energy: 1.2196821539920908
Energy: 1.281497664936628
Energy: 1.2816502900534825
Energy: 1.281497664936628
Energy: 1.1558265453590921
Energy: 1.326516715139349
Energy: 1.2441518789847028
Energy: 1.3265167151396307
Energy: 1.2757619733749292
Energy: 1.2835945054942761
Energy: 1.2816339734283346
Energy: 1.2835945048674822
Energy: 1.2791189625945607
Energy: 1.2839117199464134
Energy: 1.1559769039157495
Energy: 1.2839117199461318
Energy: 1.1557667070384479
Energy: 1.3288713063616058
Energy: 1.155739323133053
Energy: 1.3288713063616058
Energy: 1.1558503950696075
Energy: 1.2839305995286658
Energy: 1.2791382733994627
Energy: 1.2839305995289478
Energy: 1.2817107895744926
Energy: 1.2835306726785807
Energy: 1.2757505397955287
Energy: 1.2835306726805202
Energy: 1.2398350284079642
Energy: 1.3274587953788102
Energy: 1.1557816253283795
Energy: 1.3274587953788102

minimum gb energy = 1.155739323133053 eV
minimum distance =  2.26177629822258 Angstroms
sigma value = 5


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

Energy: 1.2187959903603391
Energy: 1.2114000843798702
Energy: 1.6049040017949179
Energy: 1.2114000843806336
Energy: 1.4286624386744962
Energy: 1.6207493096508485
Energy: 1.1646897666025486
Energy: 1.6207493096523753
Energy: 1.1636948467739814
Energy: 1.194140930979622
Energy: 1.3268225301349403
Energy: 1.1941409309788584
Energy: 1.1451486773922595
Energy: 1.4258004598551304
Energy: 1.192784173791679
Energy: 1.4258004598551304
Energy: 1.192992068238293
Energy: 1.2745734272437406
Energy: 1.3369596471939633
Energy: 1.2745734272422136
Energy: 1.2079275796590327
Energy: 1.2135221850297235
Energy: 1.164799719203459
Energy: 1.2135221850297235
Energy: 1.1655439268531202
Energy: 1.2703173625626267
Energy: 1.1657809035720137
Energy: 1.2703173625618633
Energy: 1.1685487867836377
Energy: 1.213705330179217
Energy: 1.1732458080686403
Energy: 1.2137053301807441
Energy: 1.1925274172732827
Energy: 1.270985724323163
Energy: 1.160025390860861
Energy: 1.2709857243216363
Energy: 1.189283801161864
Energy: 1.270926702213005
Energy: 1.1515296613462542
Energy: 1.270926702213005
Energy: 1.177178861244288
Energy: 1.4518360964907244
Energy: 1.1711402032404539
Energy: 1.4518360964914878
Energy: 1.1644052725724618
Energy: 1.2002660958382085
Energy: 1.2414127167816555
Energy: 1.2002660958382085
Energy: 1.2177824157024022
Energy: 1.2120132444994496
Energy: 1.2203255513833797
Energy: 1.2120132444994496
Energy: 1.1978758867276902
Energy: 1.2141053308684304
Energy: 1.431825972942161
Energy: 1.214105330867667
Energy: 1.387753586877697
Energy: 1.401963306698651
Energy: 1.1713762456332633
Energy: 1.4019633067017048
Energy: 1.1910516992903541
Energy: 1.1944199864813352
Energy: 1.1990795481087766
Energy: 1.1944199864820986
Energy: 1.4395878892662273
Energy: 1.4157968764493838
Energy: 1.1822583997436331
Energy: 1.4157968764509106
Energy: 1.1929426438299704
Energy: 1.2120767697404982
Energy: 1.2805849601632762
Energy: 1.2120767697404982
Energy: 1.1760683586328975
Energy: 1.272458259284236
Energy: 1.1674822817713775
Energy: 1.2724582592834726
Energy: 1.1643893065855622
Energy: 1.512554387501664
Energy: 1.2075014784181954
Energy: 1.512554387503191
Energy: 1.1516794500688068
Energy: 1.4483025810824612
Energy: 1.1899971364485433
Energy: 1.4483025810839882
Energy: 1.1913958353614642
Energy: 1.2705241204324322
Energy: 1.182481688400952
Energy: 1.2705241204331958
Energy: 1.170847274740676
Energy: 1.2134644173597398
Energy: 1.1512082794181449
Energy: 1.2134644173589766
Energy: 1.2371030895471118
Energy: 1.462357641461377
Energy: 1.1646482304382044
Energy: 1.4623576414651942
Energy: 1.2195240708911512
Energy: 1.2140178011925908
Energy: 1.1699022555678809
Energy: 1.2140178011918272
Energy: 1.1994872610672134
Energy: 1.2145627216497616
Energy: 1.1932890176858886
Energy: 1.2145627216497616
Energy: 1.172464394388784
Energy: 1.1768602183883783
Energy: 1.211061942911502
Energy: 1.1768602183868515
Energy: 1.2035978370448366
Energy: 1.401016543344028
Energy: 1.191116676471069
Energy: 1.4010165433432644
Energy: 1.1635391234703696
Energy: 1.6214812922047077
Energy: 1.49784676983738
Energy: 1.6214812922047077
Energy: 1.3141312809609738
Energy: 1.2118731668664713
Energy: 1.1932463012260632
Energy: 1.2118731668664713
Energy: 1.162320558850013
Energy: 1.1906688482043952
Energy: 1.3128941220371548
Energy: 1.1906688482043952
Energy: 1.3329868987494222
Energy: 1.2126922988650346
Energy: 1.1641961740518525
Energy: 1.2126922988627442
Energy: 1.1935835457630088
Energy: 1.6183887578778209
Energy: 1.1452503476079097
Energy: 1.6183887578778209

minimum gb energy = 1.1451486773922595 eV
minimum distance =  2.13001093759585 Angstroms
sigma value = 1


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

Energy: 1.1544929204736059
Energy: 1.1535798932400683
Energy: 1.568366688934778
Energy: 1.1535798932400683
Energy: 1.4188309055591488
Energy: 1.6655725647660804
Energy: 1.1372617026164364
Energy: 1.6655725647660804
Energy: 1.094655396999162
Energy: 1.1532753218757787
Energy: 1.2755868936815684
Energy: 1.1532753218757787
Energy: 1.1653576498078342
Energy: 1.2219885823869705
Energy: 1.1268770928158325
Energy: 1.2219885823869705
Energy: 1.1022048955756991
Energy: 1.4418251997136557
Energy: 1.3323091747624551
Energy: 1.4418251997136557
Energy: 1.0938422223132742
Energy: 1.447676600091564
Energy: 1.1280191403202646
Energy: 1.447676600091564
Energy: 1.0939017255219543
Energy: 1.255839648748091
Energy: 1.178312432168775
Energy: 1.255839648748091
Energy: 1.0936768789811313
Energy: 1.4478548058837621
Energy: 1.1608612508650928
Energy: 1.4478548058837621
Energy: 1.1524727233027643
Energy: 1.1624855568862749
Energy: 1.1713748676174522
Energy: 1.1624855568873305
Energy: 1.1524298135796023
Energy: 1.1626173499759127
Energy: 1.1845629768871506
Energy: 1.1626173499759127
Energy: 1.0936370040914674
Energy: 1.4482045381488604
Energy: 1.1414620403124889
Energy: 1.4482045381435824
Energy: 1.0938552204545124
Energy: 1.2558054857384542
Energy: 1.1784151845398116
Energy: 1.2558054857384542
Energy: 1.0939472891295807
Energy: 1.4476708869874753
Energy: 1.129641775333455
Energy: 1.4476708869874753
Energy: 1.1019642418503928
Energy: 1.4418486075950856
Energy: 1.3425894476167899
Energy: 1.4418486075950856
Energy: 1.1654551144416327
Energy: 1.2217471118927257
Energy: 1.125905620730111
Energy: 1.2217471118937813
Energy: 1.0945955721344112
Energy: 1.1535280243953228
Energy: 1.436175874693196
Energy: 1.1535280243953228
Energy: 1.4189731874877813
Energy: 1.6655688203637495
Energy: 1.1373933160271537
Energy: 1.6655688203637495
Energy: 1.1544929204736059
Energy: 1.1535798932400683
Energy: 1.1402646515332417
Energy: 1.1535798932400683
Energy: 1.4188309055570376
Energy: 1.6655725647660804
Energy: 1.1372617026164364
Energy: 1.6655725647660804
Energy: 1.094655396999162
Energy: 1.1532753218757787
Energy: 1.5588252744721782
Energy: 1.1532753218757787
Energy: 1.16535764980889
Energy: 1.2219885823880263
Energy: 1.1268770928158325
Energy: 1.2219885823880263
Energy: 1.1022048955756991
Energy: 1.4418251997136557
Energy: 1.316717416315286
Energy: 1.4418251997136557
Energy: 1.0938422223132742
Energy: 1.4476766000926196
Energy: 1.1280191403213202
Energy: 1.4476766000926196
Energy: 1.0939017255208987
Energy: 1.2558396487470351
Energy: 1.149958545116645
Energy: 1.255839648748091

minimum gb energy = 1.0936370040914674 eV
minimum distance =  2.26912766950691 Angstroms
sigma value = 17


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

Energy: 1.1327072401439688
Energy: 1.131194526335281
Energy: 1.6221261002212015
Energy: 1.131194526335281
Energy: 1.4318015036469187
Energy: 1.3061360526214674
Energy: 1.1031749764473486
Energy: 1.3061360526195098
Energy: 1.1008519931757175
Energy: 1.1139259442764242
Energy: 1.3535119436752996
Energy: 1.1139259442770766
Energy: 1.1646082062674183
Energy: 1.2756439637684682
Energy: 1.0991959067735586
Energy: 1.2756439637691206
Energy: 1.089503959465392
Energy: 1.4473434339231703
Energy: 1.3618902658562695
Energy: 1.447343433923823
Energy: 1.0882226808141426
Energy: 1.52332202172977
Energy: 1.1181094170894335
Energy: 1.52332202172977
Energy: 1.1158724324783302
Energy: 1.174899101104962
Energy: 1.135935640652328
Energy: 1.174899101104962
Energy: 1.098157328973062
Energy: 1.347867397247409
Energy: 1.0989123497351114
Energy: 1.3478673972480613
Energy: 1.1241764250517412
Energy: 1.3728291573318336
Energy: 1.1477058065803671
Energy: 1.372829157332486
Energy: 1.1275704323861677
Energy: 1.496302856660123
Energy: 1.10907904091956
Energy: 1.4963028566607754
Energy: 1.1048163176332473
Energy: 1.4723247407769233
Energy: 1.100879117068166
Energy: 1.4723247407762707
Energy: 1.107343344832499
Energy: 1.173033587419137
Energy: 1.1032909077155688
Energy: 1.173033587419137
Energy: 1.0883750230879683
Energy: 1.5333212478882463
Energy: 1.1158056185585774
Energy: 1.5333212478882463
Energy: 1.1022019045477636
Energy: 1.194896594667402
Energy: 1.1727818191823203
Energy: 1.1948965946680545
Energy: 1.0942836632807673
Energy: 1.5099441863651977
Energy: 1.1409421131570947
Energy: 1.5099441863632401
Energy: 1.1053027613211701
Energy: 1.2260271492750392
Energy: 1.346936352047113
Energy: 1.2260271493461556
Energy: 1.1269905838787244
Energy: 1.2847480463832321
Energy: 1.101915213762262
Energy: 1.2847480463793175
Energy: 1.094988316029137
Energy: 1.1321755228760206
Energy: 1.0944733147713466
Energy: 1.1321755228766732
Energy: 1.4822460526729562
Energy: 1.6092896001717845
Energy: 1.1028472865018628
Energy: 1.609289600171132
Energy: 1.1138247098763339
Energy: 1.1137620815644276
Energy: 1.23111537963121
Energy: 1.1137620815644276
Energy: 1.5601714744174362
Energy: 1.235476570460052
Energy: 1.115374705262791
Energy: 1.2354765704574424
Energy: 1.1162293081407824
Energy: 1.243151262387917
Energy: 1.5829690714257447
Energy: 1.2431512623931367
Energy: 1.2659778723944666
Energy: 1.294059374617531
Energy: 1.115702745996713
Energy: 1.2940593745431523
Energy: 1.1032231480289605
Energy: 1.4266820131710451
Energy: 1.2882901377401772
Energy: 1.4266820131723499
Energy: 1.1191987064571616
Energy: 1.1330395336764325
Energy: 1.0966680465516836
Energy: 1.1330395336764325
Energy: 1.1174076384502927
Energy: 1.1967244878837335
Energy: 1.1445867509227805
Energy: 1.1967244878837335
Energy: 1.2390977131467282
Energy: 1.4939457261891047
Energy: 1.1071114874471586
Energy: 1.4939457261871478
Energy: 1.1456027923349588
Energy: 1.5061299570379076
Energy: 1.095376978636959
Energy: 1.50612995703856
Energy: 1.130667881090388
Energy: 1.1943996977087192
Energy: 1.134196216427348
Energy: 1.1943996977074145
Energy: 1.1183584692545852
Energy: 1.5341935252769294
Energy: 1.1429613952319901
Energy: 1.5341935252756247
Energy: 1.1016506835705049
Energy: 1.193989951279835
Energy: 1.1043599593416142
Energy: 1.193989951279835
Energy: 1.102741560080477
Energy: 1.502734962649237
Energy: 1.100659347324545
Energy: 1.5027349626505417
Energy: 1.1067660155759653
Energy: 1.4965060850806151
Energy: 1.260719411138528
Energy: 1.4965060850799627
Energy: 1.1539756118887254
Energy: 1.3605745644981306
Energy: 1.1212864781084964
Energy: 1.3605745644968257
Energy: 1.0977335447999126
Energy: 1.2445351857470437
Energy: 1.1294362306092522
Energy: 1.2445351857470437
Energy: 1.1361947607079077
Energy: 1.1768824963555065
Energy: 1.116925749085602
Energy: 1.1768824963555065
Energy: 1.1158695065308737
Energy: 1.2964190895311862
Energy: 1.0827076449026343
Energy: 1.296419092557871
Energy: 1.3394810762451412
Energy: 1.44728234449589
Energy: 1.1050011725679412
Energy: 1.44728234449589

minimum gb energy = 1.0827076449026343 eV
minimum distance =  2.1651732513041 Angstroms
sigma value = 89


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

Energy: 0.9875166343021574
Energy: 0.9868987610909872
Energy: 1.4962099410769611
Energy: 0.9868987610909872
Energy: 1.2799142391126712
Energy: 1.027262458974223
Energy: 1.0000201232677441
Energy: 1.027262458974223
Energy: 0.9978205451797504
Energy: 1.1673848181331894
Energy: 1.3761303113574623
Energy: 1.1673848181314819
Energy: 0.972535814514022
Energy: 1.027359107377983
Energy: 0.9998571233081406
Energy: 1.027359107377983
Energy: 0.9967711357186969
Energy: 1.3561571245801245
Energy: 1.2851331015879175
Energy: 1.3561571245801245
Energy: 0.9967979547739348
Energy: 0.9878712718663843
Energy: 0.9903573559284334
Energy: 0.9878712718680915
Energy: 0.9981372592413723
Energy: 1.1726343368103456
Energy: 0.9865157587832273
Energy: 1.1726343368103456
Energy: 0.9742163265167373
Energy: 1.4458915097865865
Energy: 0.9999386269259491
Energy: 1.4458915097848795
Energy: 0.9983506319874925
Energy: 1.0764797990442216
Energy: 1.0388274502347254
Energy: 1.0764797990425143
Energy: 1.0277342692535114
Energy: 1.3552698374003036
Energy: 0.9967794782776851
Energy: 1.3552698374003036
Energy: 0.9865875957054809
Energy: 1.0281866385260694
Energy: 0.9997112371289059
Energy: 1.0281866385260694
Energy: 0.9864170265532044
Energy: 1.1692670724239738
Energy: 0.9997966900197053
Energy: 1.1692670724239738
Energy: 0.9971287400756976
Energy: 0.9882494778469177
Energy: 0.9908054909195209
Energy: 0.9882494778452106
Energy: 0.9968004655289625
Energy: 1.0735016002011093
Energy: 0.9968859985782417
Energy: 1.0735016002011093
Energy: 0.972767897165484
Energy: 0.9875032248197774
Energy: 0.9970521056881062
Energy: 0.9875032248197774

minimum gb energy = 0.972535814514022 eV
minimum distance =  2.28812410106196 Angstroms
sigma value = 13


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

Energy: 1.0659618789616032
Energy: 1.376248805022053
Energy: 1.5642264210021117
Energy: 1.376248805022053
Energy: 1.4324014209491516
Energy: 1.335317924296385
Energy: 0.9226342965356418
Energy: 1.3353179242971005
Energy: 0.9465757709869338
Energy: 1.3105391531894905
Energy: 1.145547281383065
Energy: 1.3105391531894905
Energy: 0.9531845605901632
Energy: 1.2463843356441426
Energy: 0.9273544217885735
Energy: 1.246384335643427
Energy: 0.9464779009542216
Energy: 1.3438136297056529
Energy: 1.3194020515827336
Energy: 1.3438136297049372
Energy: 1.002306582139732
Energy: 1.2466975222515033
Energy: 1.035824778319524
Energy: 1.246697522250788
Energy: 0.9431982607987965
Energy: 1.4629188156408914
Energy: 1.3987390658746433
Energy: 1.4629188156408914
Energy: 0.9186931910796259
Energy: 1.341617246004214
Energy: 1.0356452642855045
Energy: 1.3416172460027829
Energy: 0.9452811177295177
Energy: 1.2718638272634208
Energy: 1.2195730993387972
Energy: 1.2718638272634208
Energy: 1.1252444319004724
Energy: 1.4802486531801793
Energy: 0.927852799157089
Energy: 1.4802486531794639
Energy: 0.9554213884107214
Energy: 1.278649267979306
Energy: 1.0158563670189784
Energy: 1.278649267979306
Energy: 1.2851235000334984
Energy: 1.480274251924974
Energy: 0.9245137663184406
Energy: 1.4802742519264052
Energy: 0.982220938167769
Energy: 1.3184244313405584
Energy: 0.9378590379424204
Energy: 1.3184244313412739
Energy: 1.2285768255353093
Energy: 1.3619579257775456
Energy: 0.9281656497260564
Energy: 1.3619579257775456
Energy: 0.9527065933894503
Energy: 1.3117884474600192
Energy: 0.9237466919965914
Energy: 1.3117884474600192
Energy: 1.0172316438410003
Energy: 1.19348635111841
Energy: 0.9363232538429698
Energy: 1.19348635111841
Energy: 0.9389635389710268
Energy: 1.450725525815936
Energy: 0.9330925541949988
Energy: 1.450725525815936
Energy: 0.9520070133316341
Energy: 1.4062917391959453
Energy: 1.0327222052259544
Energy: 1.4062917391959453
Energy: 0.9453932681464245
Energy: 1.4742735707260521
Energy: 1.0357754381704245
Energy: 1.4742735707267676
Energy: 0.9471814654510726
Energy: 1.4610513064340205
Energy: 1.0352635024399668
Energy: 1.4610513064340205
Energy: 0.9348686685310416
Energy: 1.271128737401185
Energy: 1.0347448834168798
Energy: 1.271128737401185
Energy: 0.9361444006897964
Energy: 1.1314142426653164
Energy: 0.9369642008391722
Energy: 1.1314142426653164
Energy: 1.016850435522957
Energy: 1.2792374642502815
Energy: 0.9335409503861354
Energy: 1.2792374642502815
Energy: 0.9521290812912351
Energy: 1.2211179569791273
Energy: 0.9365713677309513
Energy: 1.2211179569791273
Energy: 1.2935386668992117
Energy: 1.423521766434657
Energy: 0.9242533506587972
Energy: 1.423521766434657
Energy: 1.0720676862847305
Energy: 1.3843398482957778
Energy: 0.9464561907058382
Energy: 1.3843398482950624
Energy: 1.2096314154330325
Energy: 1.479924130459248
Energy: 0.9236362445422422
Energy: 1.479924130458598
Energy: 0.9538561233397793
Energy: 1.1913789266499326
Energy: 0.9926872575751146
Energy: 1.191378926650648
Energy: 1.0276567621914687
Energy: 1.3651485006331636
Energy: 0.9252809153914782
Energy: 1.365148512579946
Energy: 0.9437866535323326
Energy: 1.4145918207948631
Energy: 1.2733367528165664
Energy: 1.4145918207948631
Energy: 0.9302543997769664
Energy: 1.251100802705253
Energy: 1.0358845695804793
Energy: 1.251100802705253
Energy: 0.9465101576492171
Energy: 1.4023128612688263
Energy: 1.3990750455139522
Energy: 1.402312861246645
Energy: 1.0841540015523083
Energy: 1.1522246889415542
Energy: 1.035746318694629
Energy: 1.1522246889415542
Energy: 0.9435679662022134
Energy: 1.3689524086007343
Energy: 1.201980042769763
Energy: 1.3689524086000187
Energy: 1.009939444688479
Energy: 1.3355817562066226
Energy: 0.9249482423650153
Energy: 1.335581756207338

minimum gb energy = 0.9186931910796259 eV
minimum distance =  2.14124980372051 Angstroms
sigma value = 37


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

Energy: 0.8900585941958407
Energy: 0.8890013950278914
Energy: 1.4157218676882795
Energy: 0.8890013950278914
Energy: 1.334779285991436
Energy: 1.1881335232958825
Energy: 0.8310849544629819
Energy: 1.1881335232958825
Energy: 0.8251196704090311
Energy: 1.485171806359596
Energy: 1.536789118724378
Energy: 1.485171806359596
Energy: 0.8248706295570309
Energy: 1.1879599616470604
Energy: 0.8309167949291464
Energy: 1.1879599616482914
Energy: 0.8301610327071961
Energy: 1.18692774039268
Energy: 1.1487170930348916
Energy: 1.186927740393911
Energy: 0.8202947894850094
Energy: 1.1879284924630233
Energy: 0.8273861391371564
Energy: 1.1879284924630233
Energy: 0.8312967764320967
Energy: 1.5114074689277819
Energy: 1.0888170744154806
Energy: 1.5114074689265506
Energy: 0.8297213979919832
Energy: 0.8896848970444168
Energy: 0.8929218580003486
Energy: 0.8896848970431858
Energy: 0.8303436385647821
Energy: 1.1873432075965649
Energy: 1.20791328444389
Energy: 1.1873432075965649
Energy: 1.2015374054611767
Energy: 1.4715090929447519
Energy: 0.8275937474404269
Energy: 1.4715090929435208
Energy: 0.8311139121180618
Energy: 1.5100618230440217
Energy: 0.8244824435096454
Energy: 1.5100618230440217
Energy: 1.1600003354355635
Energy: 1.1870899963375379
Energy: 0.8311743444906766
Energy: 1.1870899963375379
Energy: 0.8245235098278008
Energy: 1.1871404927212221
Energy: 0.8216167084330521
Energy: 1.1871404927224531
Energy: 1.08931591542358
Energy: 1.5091479320512753
Energy: 0.8296093420288273
Energy: 1.5091479320525063
Energy: 0.8881736272584334
Energy: 0.9390535116854662
Energy: 0.8296905523419715
Energy: 0.9390535116866973
Energy: 0.8883378176144304
Energy: 1.187753622257799
Energy: 0.8311020118960666
Energy: 1.187753622257799
Energy: 0.8244728601963032
Energy: 1.4735268983595597
Energy: 0.8205157330368124
Energy: 1.4735268983607908
Energy: 0.8244623138370342
Energy: 1.5337593100202411
Energy: 0.8298103905570635
Energy: 1.5337593100202411
Energy: 0.8311804639343473
Energy: 1.188088336470408
Energy: 0.8300973790850266
Energy: 1.1880883364691768
Energy: 0.8296712698851767
Energy: 1.1876010043519278
Energy: 0.8244314424195143
Energy: 1.1876010043531589

minimum gb energy = 0.8202947894850094 eV
minimum distance =  2.16852795801014 Angstroms
sigma value = 25


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

Energy: 0.8125295706100226
Energy: 1.2422808429098637
Energy: 1.38545435914714
Energy: 1.2422808429098637
Energy: 1.3207431524094577
Energy: 1.2651482980721018
Energy: 0.7610391842003669
Energy: 1.2651482980721018
Energy: 0.755125803439618
Energy: 0.7545307849409972
Energy: 1.0361911192171227
Energy: 0.7545307849409972
Energy: 0.9334828187816829
Energy: 1.2650193660496858
Energy: 0.7611864984004534
Energy: 1.2650193660496858
Energy: 0.7600758437927958
Energy: 1.2652331888700412
Energy: 0.7620417796267159
Energy: 1.2652331888710024
Energy: 0.7194989711423516
Energy: 1.2655931354234675
Energy: 0.7608893714533279
Energy: 1.2655931354234675
Energy: 0.7608314414503703
Energy: 1.0026636522401169
Energy: 1.030094004037237
Energy: 1.0026636522401169
Energy: 0.9414301016998964
Energy: 1.0579314137911113
Energy: 0.7562883173519627
Energy: 1.0579314137911113
Energy: 0.7600985951680502
Energy: 1.2653776735852242
Energy: 1.2139180015662085
Energy: 1.2653776735852242
Energy: 0.7240919600698965
Energy: 1.2396759123551364
Energy: 0.8139300656515426
Energy: 1.2396759123551364
Energy: 0.7609265673574079
Energy: 1.0026308328533073
Energy: 1.1440450950171868
Energy: 1.0026308328571523
Energy: 1.0554467156062668
Energy: 1.3436574217758543
Energy: 0.7563940149317576
Energy: 1.3436574217758543
Energy: 0.7600643397406911
Energy: 1.2650805745486937
Energy: 1.0305602121932838
Energy: 1.2650805745486937
Energy: 1.0323039998386472
Energy: 1.2920446466698403
Energy: 0.7609390204153114
Energy: 1.2920446466688789
Energy: 0.7609727730971663
Energy: 1.002669932468711
Energy: 0.7193275402274287
Energy: 1.0026699324696722
Energy: 1.011047620115288
Energy: 1.343293419001618
Energy: 0.764184839831492
Energy: 1.343293419001618
Energy: 0.7602005892472591
Energy: 1.0575212344089628
Energy: 0.7172100640430769
Energy: 1.0575212344137692
Energy: 0.9794219489347662
Energy: 1.2643221347817548
Energy: 0.7612142597843782
Energy: 1.264322134782716
Energy: 0.8175619310537475
Energy: 1.2386452665586196
Energy: 0.7241235304464869
Energy: 1.2386452665595806
Energy: 1.144269902528265
Energy: 1.3106144788930751
Energy: 0.7642572068389253
Energy: 1.3106144788930751
Energy: 0.7602075653241691
Energy: 1.342099243547782
Energy: 0.7179705569370431
Energy: 1.342099243547782
Energy: 0.7540161111877618
Energy: 1.2644324636409705
Energy: 0.7609366958426611
Energy: 1.2644324636409705
Energy: 0.7606272520584476
Energy: 1.290897211982718
Energy: 1.034274936088014
Energy: 1.290897211982718
Energy: 0.7193321151062321
Energy: 1.3100396102143832
Energy: 0.7592385227953301
Energy: 1.3100396102143832
Energy: 0.7584335075970797
Energy: 1.3422333127255026
Energy: 1.0094941936459383
Energy: 1.3422333127255026
Energy: 0.723874591186248
Energy: 1.0576243285934714
Energy: 0.7612687157632747
Energy: 1.0576243285925104

minimum gb energy = 0.7172100640430769 eV
minimum distance =  2.15755399831319 Angstroms
sigma value = 41


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

Energy: 1.061421813579494
Energy: 1.113898384065716
Energy: 1.3538532705921853
Energy: 1.113898384064928
Energy: 1.3001115687266678
Energy: 1.0958211056668004
Energy: 0.6695541470335097
Energy: 1.095821105666012
Energy: 0.7001982270716569
Energy: 1.0818886854927419
Energy: 0.908665192356115
Energy: 1.081888685495894
Energy: 1.004555710656298
Energy: 1.095656027048993
Energy: 0.6697292755606502
Energy: 1.095656027048205
Energy: 0.6659692322530778
Energy: 1.1331095100391926
Energy: 0.6855950160113101
Energy: 1.1331095100391926
Energy: 0.8244836372142773
Energy: 1.0952746770567432
Energy: 0.6696476314453966
Energy: 1.0952746770567432
Energy: 0.6688050269288469
Energy: 1.0959544780762234
Energy: 0.9427831782384003
Energy: 1.0959544780770116
Energy: 0.6445909709804868
Energy: 0.9092737296027849
Energy: 0.6666781882615248
Energy: 0.9092737296012088
Energy: 0.6717727416074076
Energy: 1.1711934827030734
Energy: 1.1334448426211876
Energy: 1.1711934827022854
Energy: 0.8262458800245356
Energy: 1.0806256041974487
Energy: 0.7006993868353539
Energy: 1.0806256041974487
Energy: 0.6689051883530178
Energy: 1.095921731374828
Energy: 1.1626906607972254
Energy: 1.095921731374828
Energy: 0.6476340907149598
Energy: 1.1116650971774726
Energy: 1.05846105417107
Energy: 1.1116650971774726
Energy: 0.6715473248890068
Energy: 1.1783362084222069
Energy: 1.2266979989682159
Energy: 1.1783362084222069
Energy: 0.9432352754670787
Energy: 1.2300969077814727
Energy: 0.7007557825214784
Energy: 1.2300969077814727
Energy: 0.6690916841507116
Energy: 1.0966391351430715
Energy: 0.9997409803023932
Energy: 1.0966391351430715
Energy: 0.9165390357700576
Energy: 1.169751145304481
Energy: 0.6668151129486198
Energy: 1.1697511453052691
Energy: 0.6717181974857028
Energy: 1.1787943702971526
Energy: 0.9070149244020709
Energy: 1.1787943702971526
Energy: 0.9011650997733035
Energy: 1.229483834768187
Energy: 0.6698856893047563
Energy: 1.229483834768187
Energy: 0.6688581514861336
Energy: 0.9091508579839884
Energy: 0.6447551404034232
Energy: 0.9091508579847766
Energy: 0.9130044180808702
Energy: 1.1696158284110065
Energy: 0.6747213881927993
Energy: 1.1696158284102183
Energy: 0.7032541689717994
Energy: 1.179156029807749
Energy: 0.6444375237853357
Energy: 1.179156029807749
Energy: 1.1621077562449635
Energy: 1.2502083663457564
Energy: 0.6698748728309928
Energy: 1.2502083663457564
Energy: 1.0568429249599836
Energy: 1.1112603569887134
Energy: 0.6475800155862043
Energy: 1.1112603569887134
Energy: 1.0456754804466872
Energy: 1.1763692817633056
Energy: 0.6750357070797113
Energy: 1.1763692817640936
Energy: 0.7030525624244887
Energy: 1.22720112140453
Energy: 0.6453432541720483
Energy: 1.22720112140453
Energy: 1.0161275064425863
Energy: 1.2481498052709918
Energy: 0.669758228308089
Energy: 1.2481498052717799
Energy: 0.6690401241261729
Energy: 1.1686656748282431
Energy: 0.9162707322902678
Energy: 1.1686656748282431
Energy: 0.6655005328507921
Energy: 1.1770596436003937
Energy: 0.6752351324420438
Energy: 1.1770596435996057
Energy: 0.6718261280266951
Energy: 1.2276005799288336
Energy: 0.9016480973452964
Energy: 1.2276005799288336
Energy: 0.6446075198369379
Energy: 1.216841320179873
Energy: 0.67265570707113
Energy: 1.216841320179873
Energy: 0.6743304761362272
Energy: 1.1687272020145079
Energy: 0.9411551265461237
Energy: 1.168727202015296
Energy: 0.647368269385337
Energy: 1.1773671567135116
Energy: 0.7066719249566538
Energy: 1.1773671567135116

minimum gb energy = 0.6444375237853357 eV
minimum distance =  2.13565880859182 Angstroms
sigma value = 15


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

Energy: 0.9602012568329568
Energy: 1.1057569843117874
Energy: 0.979138431891728
Energy: 1.1057569843117874
Energy: 1.2878242495972578
Energy: 1.0399797503824444
Energy: 0.6264870285221078
Energy: 1.0399797503824444
Energy: 0.6536077535931472
Energy: 0.9850035047326692
Energy: 1.202174016960639
Energy: 0.9850035047320016
Energy: 1.2419450722416683
Energy: 1.0427128387433873
Energy: 0.6264600166760298
Energy: 1.042712838744055
Energy: 0.6240492417224263
Energy: 1.1170395740489008
Energy: 0.6234609407157906
Energy: 1.1170395740482335
Energy: 0.9143830212348599
Energy: 1.0406777389203399
Energy: 0.6265842949787844
Energy: 1.0406777389203399
Energy: 0.6258780362306712
Energy: 0.9985827927699493
Energy: 0.8812395702175985
Energy: 0.9985827927706169
Energy: 0.7429750804295856
Energy: 0.9980309287232179
Energy: 0.6264984647046244
Energy: 0.9980309287238853
Energy: 0.6278818606012634
Energy: 1.1160539017246156
Energy: 1.0443871060114682
Energy: 1.1160539017246156
Energy: 0.5889620508954515
Energy: 1.0404521767069925
Energy: 0.6246229225313708
Energy: 1.040452176704322
Energy: 0.6259262137867997
Energy: 1.0407777386803259
Energy: 1.1048997023803102
Energy: 1.0407777386803259
Energy: 0.7425929425112187
Energy: 0.984992431290473
Energy: 0.6545859643455063
Energy: 0.9849924312911407
Energy: 0.6282128518465321
Energy: 1.1077676679976518
Energy: 1.2336463122438375
Energy: 1.1077676679976518
Energy: 0.5906061184276044
Energy: 1.1023057338080373
Energy: 0.9578343159306455
Energy: 1.1023057338080373
Energy: 0.6262792079163679
Energy: 1.039897059352294
Energy: 1.1605349436723726
Energy: 1.0398970593516264
Energy: 0.8563291903903114
Energy: 0.984516453338211
Energy: 0.6542564860716259
Energy: 0.9845164533388785
Energy: 0.6281400599511231
Energy: 1.1078919202541202
Energy: 1.098911720383493
Energy: 1.1078919202534527
Energy: 0.8260455292917092
Energy: 1.1140235309230158
Energy: 0.6244532469318343
Energy: 1.1140235309230158
Energy: 0.6261501548505264
Energy: 1.040094954640144
Energy: 0.9096032739477079
Energy: 1.0400949546394764
Energy: 0.8222997778757806
Energy: 1.0518156417355686
Energy: 0.6265420952153595
Energy: 1.0518156417355686
Energy: 0.6279566689031549
Energy: 1.0695359288560133
Energy: 0.8345054778223471
Energy: 1.0695359288553457
Energy: 0.8320883836519896
Energy: 1.1132528476572157
Energy: 0.6303520235110625
Energy: 1.1132528476572157
Energy: 0.626047486825837
Energy: 1.039599487519881
Energy: 0.588961267678191
Energy: 1.039599487519881
Energy: 1.0916186351562889
Energy: 1.039991213943207
Energy: 0.6266317199283861
Energy: 1.039991213943207
Energy: 0.656006549885474
Energy: 1.0697911126193165
Energy: 0.5893612907036049
Energy: 1.0697911126199842
Energy: 1.0663068190563185
Energy: 1.1185926281587124
Energy: 0.6303916922906607
Energy: 1.1185926281580447
Energy: 0.9569452085412823
Energy: 1.098892328633596
Energy: 0.5907466288066346
Energy: 1.098892328633596
Energy: 1.1617952789202393
Energy: 1.0439055203145753
Energy: 0.6268102200352047
Energy: 1.0439055203145753
Energy: 0.6555208153130511
Energy: 1.1371522536992886
Energy: 0.5976341416828412
Energy: 1.1371522536999563
Energy: 0.9407995795951887
Energy: 1.117137850842649
Energy: 0.6304437664099235
Energy: 1.117137850842649
Energy: 0.6260989456627839
Energy: 1.110484138672059
Energy: 0.8255951990823825
Energy: 1.110484138672059
Energy: 0.9103297406004839
Energy: 1.0447133186911377
Energy: 0.6267956238737221
Energy: 1.04471331869047
Energy: 0.6281209084994621
Energy: 1.1379403723419734
Energy: 0.820831801435059
Energy: 1.1379403723419734
Energy: 0.6017985163394468
Energy: 1.0733426493877734
Energy: 0.6304703688338529
Energy: 1.073342649388441
Energy: 0.6061233370947748
Energy: 1.1108317474849059
Energy: 0.8306155913177826
Energy: 1.1108317474855736
Energy: 0.5893686079980124
Energy: 1.0427019693435542
Energy: 0.628432199341202
Energy: 1.0427019693435542
Energy: 0.6282303901785056
Energy: 1.1378768227208629
Energy: 1.0855360735467752
Energy: 1.1378768227208629

minimum gb energy = 0.588961267678191 eV
minimum distance =  2.22684565591579 Angstroms
sigma value = 85


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

Energy: 0.9078809893014673
Energy: 1.034917850267329
Energy: 0.6915424831553107
Energy: 1.034917850267908
Energy: 1.2735886381771024
Energy: 0.9794380344027366
Energy: 0.5735587669079585
Energy: 0.9794380344027366
Energy: 0.867597134487957
Energy: 0.9256076568308432
Energy: 0.7437193683517773
Energy: 0.9256076568308432
Energy: 1.2309479933372893
Energy: 0.9798509637490398
Energy: 0.5734094118854909
Energy: 0.9798509637496188
Energy: 0.6122321591696807
Energy: 0.8885682186535638
Energy: 0.6882283654743705
Energy: 0.8885682186529847
Energy: 1.1338221898319745
Energy: 0.980069719116347
Energy: 0.5736813839995022
Energy: 0.980069719116347
Energy: 0.5717655573737478
Energy: 0.9460590770514719
Energy: 0.7982534640692555
Energy: 0.9460590770520508
Energy: 0.8001662888449406
Energy: 0.9778894132187581
Energy: 0.5741288811174081
Energy: 0.977889413219337
Energy: 0.5735000741970226
Energy: 0.9054596045621335
Energy: 0.9450206616521534
Energy: 0.9054596045615545
Energy: 0.6615228658103761
Energy: 0.9463143255862889
Energy: 0.5722255875644229
Energy: 0.9463143255857099
Energy: 0.5743542812297108
Energy: 0.9801571642858296
Energy: 1.0090486943708687
Energy: 0.9801571642858296
Energy: 0.520292672098405
Energy: 0.9780914561666901
Energy: 0.612804075102377
Energy: 0.9780914561666901
Energy: 0.5733263877359733
Energy: 0.9057366286569003
Energy: 1.1480144571778839
Energy: 0.9057366286563213
Energy: 0.6535057493877107
Energy: 0.9260646737829147
Energy: 0.8658559468270054
Energy: 0.9260646737823356
Energy: 0.5744504918794725
Energy: 0.9793975025649797
Energy: 1.1490627888174068
Energy: 0.9793975025661378
Energy: 0.5208494836983292
Energy: 1.0261072766104193
Energy: 0.9062389848373308
Energy: 1.0261072766104193
Energy: 0.5735162078855023
Energy: 0.9054596465617054
Energy: 1.1976685765825852
Energy: 0.9054596465611264
Energy: 0.7446876309414445
Energy: 0.9241571623048519
Energy: 0.8658635055679242
Energy: 0.9241571623048519
Energy: 0.5743780824921305
Energy: 0.9793204285529441
Energy: 1.0271207311439967
Energy: 0.9793204285529441
Energy: 0.7277753441491439
Energy: 1.04518581325955
Energy: 0.6127651248909914
Energy: 1.0451858132589709
Energy: 0.5732942086485615
Energy: 0.9051733605331193
Energy: 0.9195386902968932
Energy: 0.90517336053254
Energy: 0.7200158913467894
Energy: 0.9765487445576867
Energy: 0.5723256835197285
Energy: 0.9765487445576867
Energy: 0.5748199977378685
Energy: 0.9773153853561952
Energy: 0.8008167703751248
Energy: 0.9773153853567742
Energy: 0.7372070063586431
Energy: 1.0489780319188138
Energy: 0.5734765123316761
Energy: 1.0489780319188138
Energy: 0.573729770070781
Energy: 0.7703955262582236
Energy: 0.6617941483770937
Energy: 0.7703955262582236
Energy: 0.9743670026363397
Energy: 0.977043875734675
Energy: 0.5758680294996871
Energy: 0.9770438757352539
Energy: 0.613986387143499
Energy: 0.9775571693023659
Energy: 0.5201063252613236
Energy: 0.9775571693017869
Energy: 0.9984229842056521
Energy: 1.049863193857742
Energy: 0.5734545676592858
Energy: 1.049863193857742
Energy: 0.8650197376992663
Energy: 0.9240016372268935
Energy: 0.6529408033389393
Energy: 0.9240016372268935
Energy: 1.1488056028830114
Energy: 0.9771976823390593
Energy: 0.5758675405886541
Energy: 0.9771976823390593
Energy: 0.9053758055178093
Energy: 1.0265477015167972
Energy: 0.5213644420714755
Energy: 1.0265477015167972
Energy: 1.059226786036435
Energy: 1.0500631055038103
Energy: 0.5736103597011216
Energy: 1.0500631055043894
Energy: 0.8650993823745918
Energy: 0.9237952383931339
Energy: 0.5143265488537108
Energy: 0.9237952383925551
Energy: 1.0271253298612892
Energy: 0.9806692869921035
Energy: 0.5752278622217296
Energy: 0.9806692869921035
Energy: 0.6146454757782562
Energy: 1.0453571110820985
Energy: 0.7275492434332954
Energy: 1.0453571110820985
Energy: 0.8307710192192681
Energy: 1.0493594812214584
Energy: 0.573632847602068
Energy: 1.0493594812214584
Energy: 0.5735258310161668
Energy: 0.9750303824269216
Energy: 0.7198720339218081
Energy: 0.9750303824269216
Energy: 0.8059026876633317
Energy: 0.9770994755098739
Energy: 0.5752625158046458
Energy: 0.9770994755098739
Energy: 0.5744903273722672
Energy: 1.0453711158578842
Energy: 0.7384642273595483
Energy: 1.0453711158578842
Energy: 0.5395157779389349
Energy: 1.0228283445837119
Energy: 0.5747596032682021
Energy: 1.0228283445837119
Energy: 0.5725163199677122
Energy: 0.9748819174120898
Energy: 0.9798611901797565
Energy: 0.9748819174132479
Energy: 0.5200704176026384
Energy: 0.9771142543223222
Energy: 0.61631109160297
Energy: 0.9771142543223222
Energy: 0.5746259550973731
Energy: 1.045245663114523
Energy: 0.9981894552631667
Energy: 1.045245663114523

minimum gb energy = 0.5143265488537108 eV
minimum distance =  2.23374189658926 Angstroms
sigma value = 113


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

Energy: 0.018677593039037304
Energy: 0.019161979173075404
Energy: 0.8504489321964646
Energy: 0.019161979173075404
Energy: 0.7764033830359335
Energy: 0.27228770935552504
Energy: 0.27193115868481554
Energy: 0.27228770935552504
Energy: 0.01867759303948243
Energy: 0.019161979173075404
Energy: 0.8504489321960195
Energy: 0.019161979173075404
Energy: 0.7764033830359335
Energy: 0.27228770935552504
Energy: 0.2719311586852111
Energy: 0.27228770935552504
Energy: 0.018677593039037304
Energy: 0.019161979173075404
Energy: 0.8504489321960195
Energy: 0.019161979173075404
Energy: 0.7764033830359335
Energy: 0.2722877093551294
Energy: 0.27193115868392526
Energy: 0.2722877093559702

minimum gb energy = 0.018677593039037304 eV
minimum distance =  2.53344906044703 Angstroms
sigma value = 1