Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.865948021411896
cohesive_energy=4.290335425356015
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: -2.38418579101562e-07 eV

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

Energy: 0.013191610441517527
Energy: 0.013546374034313984
Energy: 2.4360987758887895
Energy: 0.013546374035284189
Energy: 0.013546374035284189
Energy: 0.013556217617536389
Energy: 0.4323941920161725
Energy: 0.013556217615595981
Energy: 2.4360987758887895
Energy: 0.4323941920152023
Energy: 0.43214257851736676
Energy: 0.4323941920161725
Energy: 0.013546374035284189
Energy: 0.013556217615595981
Energy: 0.4323941920161725
Energy: 0.013556217615595981

minimum gb energy = 0.013191610441517527 eV
minimum distance =  2.47922083152003 Angstroms
sigma value = 1


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

Energy: 1.4757965749173843
Energy: 1.0419374721639225
Energy: 1.2529952920127427
Energy: 1.041937472161502
Energy: 1.5516546704867613
Energy: 0.9447807817387439
Energy: 0.9690787393342545
Energy: 0.9447807817399543
Energy: 1.7557430121994986
Energy: 0.9679284563970245
Energy: 0.9552983623408362
Energy: 0.9679284563958142
Energy: 1.3687226052098558
Energy: 0.9454047527016929
Energy: 1.0410497490054464
Energy: 0.9454047527004826
Energy: 1.3932207650315755
Energy: 0.9453599201857236
Energy: 1.3905433929001185
Energy: 0.9453599201845134
Energy: 1.5559727805287606
Energy: 0.9448459281887899
Energy: 0.9446487418870247
Energy: 0.9448459281900001
Energy: 1.1652506411724957
Energy: 1.0100007577811525
Energy: 0.9445808021589741
Energy: 1.0100007577823626
Energy: 0.9461162926708695
Energy: 0.9433943903898362
Energy: 1.3889689753844343
Energy: 0.9433943903874157
Energy: 1.173487710790607
Energy: 0.9441645503861347
Energy: 1.3680540011235445
Energy: 0.9441645503861347
Energy: 1.5890940987903273
Energy: 0.9450760634548214
Energy: 1.1994526976747526
Energy: 0.9450760634560316
Energy: 0.9522804765219618
Energy: 1.010333680769042
Energy: 1.2730160660813221
Energy: 1.010333680770252
Energy: 0.9523407622827237
Energy: 0.9521757537721326
Energy: 1.981447761953134
Energy: 0.9521757537709225
Energy: 1.1703860885888515
Energy: 1.0100866437459446
Energy: 1.3730315809592384
Energy: 1.0100866437459446
Energy: 0.967110424200478
Energy: 0.9453482205115661
Energy: 1.4627394233329203
Energy: 0.9453482205103558
Energy: 0.9668576167141744
Energy: 0.9438916429948244
Energy: 1.550236734009382
Energy: 0.9438916429948244
Energy: 1.0180171211215754
Energy: 0.9439187736898782
Energy: 1.555050082848216
Energy: 0.9439187736886678
Energy: 0.967492790712862
Energy: 0.9452798374203506
Energy: 1.4679257798702703
Energy: 0.9452798374155095
Energy: 1.1702106939904642
Energy: 1.0100376318529007
Energy: 1.3720569269267044
Energy: 1.0100376318529007
Energy: 0.955973577996803
Energy: 0.9522587199756594
Energy: 2.015075004422731
Energy: 0.9522587199792903
Energy: 0.9521854301410139
Energy: 1.0108154787973946
Energy: 1.1724310952182824
Energy: 1.0108154787961847
Energy: 1.5891574640197303
Energy: 0.9453439032208725
Energy: 1.1980051979347213
Energy: 0.945343903218452
Energy: 1.1733630422600243
Energy: 0.9452642284265775
Energy: 1.3680249483133988
Energy: 0.9452642284289979
Energy: 1.0722553777456607
Energy: 0.9433520973776628
Energy: 1.173998959378441
Energy: 0.9433520973776628
Energy: 1.3748290202920974
Energy: 1.009841667059296
Energy: 0.9448281970646363
Energy: 1.009841667059296
Energy: 1.5559703111904173
Energy: 0.944875556302396
Energy: 0.9446052001468161
Energy: 0.9448755563011856
Energy: 1.3660876531318753
Energy: 0.9454511476077792
Energy: 1.3916727890642986
Energy: 0.9454511476089894
Energy: 1.3668918728375965
Energy: 0.945453916289821
Energy: 0.9601035488693146
Energy: 0.9454539162910313
Energy: 1.7557286919673283
Energy: 0.9678657950459023
Energy: 0.9557663493771134
Energy: 0.9678657950434818
Energy: 1.5521408332068147
Energy: 0.9447796839110881
Energy: 0.9694986302652224
Energy: 0.9447796839122985
Energy: 1.4754900225020657
Energy: 0.9542654966908696
Energy: 0.9680519108885491
Energy: 0.9542654966920799
Energy: 1.5531058859849738
Energy: 0.9449288492123677
Energy: 0.9727466432182953
Energy: 0.9449288492147881
Energy: 1.5559399471359405
Energy: 0.9509998708471797
Energy: 0.9559126645731133
Energy: 0.950999870843549
Energy: 1.393256107325678
Energy: 0.9456079532971619
Energy: 1.0093785079131559
Energy: 0.9456079532971619

minimum gb energy = 0.9433520973776628 eV
minimum distance =  2.37057734355971 Angstroms
sigma value = 1


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

Energy: 1.6018089211254156
Energy: 1.0021481460327573
Energy: 1.0217624455045187
Energy: 1.0021481460313773
Energy: 1.4500476183025752
Energy: 0.9818798201434485
Energy: 1.0506156146296328
Energy: 0.9818798201434485
Energy: 1.4680358514231593
Energy: 1.0120347359983188
Energy: 1.012206843916932
Energy: 1.0120347359969388
Energy: 0.9816758528256035
Energy: 1.0685801678554023
Energy: 1.0507654003397622
Energy: 1.0685801678554023
Energy: 0.9817389733293242
Energy: 1.0671849414604917
Energy: 1.521415968081137
Energy: 1.0671849414604917
Energy: 1.4679753853839397
Energy: 0.9925031307176403
Energy: 0.9923181387832248
Energy: 0.9925031307162604
Energy: 1.0126755780632046
Energy: 1.0563334060144072
Energy: 0.9923160777072711
Energy: 1.0563334060157559
Energy: 0.9923354591161796
Energy: 0.9923571942187779
Energy: 1.5216172065541724
Energy: 0.9923571942187779
Energy: 1.0137455736153376
Energy: 0.9825233744063433
Energy: 1.468578401266053
Energy: 0.9825233744063433
Energy: 1.0508792651039587
Energy: 0.9817710336889062
Energy: 0.9817338186973811
Energy: 0.9817710336902548
Energy: 0.9935369055033205
Energy: 0.9923451146718293
Energy: 1.4693986924119493
Energy: 0.9923451146732094
Energy: 0.9929630736787859
Energy: 0.9925115635694324
Energy: 1.9011202065698198
Energy: 0.9925115635694324
Energy: 1.0513342884608694
Energy: 1.0568948237020206
Energy: 1.4497617369434315
Energy: 1.0568948237006406
Energy: 1.0513342884608694
Energy: 1.0566719752526241
Energy: 1.4494047432953934
Energy: 1.0566719752526241
Energy: 0.9929567502654482
Energy: 0.9924631412470235
Energy: 1.9011414897962304
Energy: 0.9924631412497833
Energy: 0.993745560565979
Energy: 0.9923775068420456
Energy: 1.4692204717643946
Energy: 0.9923775068420456
Energy: 1.0508792651025787
Energy: 0.9818284900764664
Energy: 0.981718868291162
Energy: 0.9818284900764664
Energy: 1.0136800299410234
Energy: 0.9826964624328645
Energy: 1.4687211114413117
Energy: 0.9826964624342444
Energy: 0.9923431593870481
Energy: 0.9923534634082272
Energy: 1.5216172065541724
Energy: 0.9923534634082272
Energy: 1.0126856356332947
Energy: 1.0563515713911307
Energy: 0.9923028924875837
Energy: 1.0563515713911307
Energy: 1.4684207996952896
Energy: 0.9923645412253063
Energy: 0.9923130350834046
Energy: 0.9923645412253063
Energy: 0.9817718167440405
Energy: 1.0671885900452545
Energy: 1.521415968081137
Energy: 1.0671885900466345
Energy: 0.9816491245453357
Energy: 1.06850333309064
Energy: 1.0507654003397622
Energy: 1.06850333309064
Energy: 1.467551623799083
Energy: 1.0118737169422574
Energy: 1.0121627607135828
Energy: 1.0118737169422574
Energy: 1.4501044498245197
Energy: 0.981751666581977
Energy: 1.0506156146282528
Energy: 0.9817516665805971
Energy: 1.6018089211254156
Energy: 1.0021481460327573
Energy: 1.0217624202356912
Energy: 1.002148146034137
Energy: 1.4500476183039548
Energy: 0.9818798201434485
Energy: 1.0506156146282528
Energy: 0.9818798201434485
Energy: 1.4680358514245078
Energy: 1.0120347359969388
Energy: 1.012206843916932
Energy: 1.0120347359983188
Energy: 0.9816758528256035
Energy: 1.0685801678554023
Energy: 1.0507654003383822
Energy: 1.0685801678554023

minimum gb energy = 0.9816491245453357 eV
minimum distance =  2.36530831289292 Angstroms
sigma value = 25


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

Energy: 1.414562005151519
Energy: 1.7145959559178379
Energy: 1.0908433903533015
Energy: 1.7145959559162338
Energy: 1.5750031798475732
Energy: 1.0576812816052004
Energy: 1.1106277011975643
Energy: 1.0576812816052004
Energy: 1.581823260488991
Energy: 1.0795258220713915
Energy: 1.1010140924033858
Energy: 1.0795258220713915
Energy: 1.3591228668438706
Energy: 1.0545591385537123
Energy: 1.110990034950882
Energy: 1.0545591385537123
Energy: 1.357456931510767
Energy: 1.0542901310908126
Energy: 1.350351129282366
Energy: 1.0542901310924164
Energy: 1.5820196930841273
Energy: 1.0577288045679165
Energy: 1.0575701058363023
Energy: 1.0577288045679165
Energy: 1.0748033721808876
Energy: 1.0545661738138676
Energy: 1.0575593463743012
Energy: 1.054566173817076
Energy: 1.0632910761400167
Energy: 1.074594274368486
Energy: 1.6153955740069674
Energy: 1.074594274368486
Energy: 1.1054073953112407
Energy: 1.1428465906279741
Energy: 1.3555349976877773
Energy: 1.1428465906279741
Energy: 1.107340034967057
Energy: 1.0563060242110947
Energy: 1.409817866106806
Energy: 1.0563060242110947
Energy: 1.153025350979353
Energy: 1.1426615267222113
Energy: 1.5749455707949154
Energy: 1.1426615267238154
Energy: 1.1043773111025907
Energy: 1.0748750649165304
Energy: 1.5684086291919344
Energy: 1.0748750649165304
Energy: 1.1527263055777865
Energy: 1.0563453237808875
Energy: 1.4090286509484562
Energy: 1.0563453237824914
Energy: 1.1250118994041092
Energy: 1.1434885202578855
Energy: 1.3558738111330169
Energy: 1.1434885202562814
Energy: 1.089734899015933
Energy: 1.0746840528735506
Energy: 1.8654680410572089
Energy: 1.074684052875155
Energy: 1.0745878625226808
Energy: 1.0544861253368478
Energy: 1.0577947551544487
Energy: 1.0544861253368478
Energy: 1.8882262461102879
Energy: 1.0576687072450017
Energy: 1.057653122136638
Energy: 1.057668707246606
Energy: 1.3597182077202659
Energy: 1.0543222702705701
Energy: 1.3503667615388977
Energy: 1.054322270268966
Energy: 1.4209122491089927
Energy: 1.0545104392256461
Energy: 1.111064562247513
Energy: 1.0545104392256461
Energy: 1.3382836473670656
Energy: 1.0576153106650181
Energy: 1.0801883240234078
Energy: 1.0576153106666222
Energy: 1.5763211003443174
Energy: 1.057618589624716
Energy: 1.1223782983640715
Energy: 1.0576185896263202
Energy: 1.4156696584517485
Energy: 1.0564285780765788
Energy: 1.1108407802459865
Energy: 1.0564285780749745
Energy: 1.577127766563353
Energy: 1.143310409839813
Energy: 1.110699448306365
Energy: 1.1433104098382088
Energy: 1.5823116152129035
Energy: 1.0798713403450355
Energy: 1.0995168655042558
Energy: 1.0798713403450355
Energy: 1.357523305058484
Energy: 1.0544732645600388
Energy: 1.0718317125187646
Energy: 1.0544732645600388

minimum gb energy = 1.0542901310908126 eV
minimum distance =  2.37598505515933 Angstroms
sigma value = 9


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

Energy: 1.3251925013799437
Energy: 1.3266195108863763
Energy: 1.1832540014929414
Energy: 1.326619510885789
Energy: 1.3138962856846657
Energy: 1.1374655103661544
Energy: 1.1376164285538377
Energy: 1.1374655103659586
Energy: 1.267682220276351
Energy: 1.1653020339473281
Energy: 1.168111023255947
Energy: 1.1653020339480893
Energy: 1.3460516429304776
Energy: 1.1374255080236972
Energy: 1.1374057239259672
Energy: 1.137425508022936
Energy: 1.3114732216526876
Energy: 1.1374211531787666
Energy: 1.3146690908333074
Energy: 1.1374211531789622
Energy: 1.8080684531573519
Energy: 1.1373953160901449
Energy: 1.346133644170288
Energy: 1.1373953160901449
Energy: 1.1378030686025382
Energy: 1.137455445003271
Energy: 1.3116907606157127
Energy: 1.137455445004054
Energy: 1.1373634606497476
Energy: 1.1375536112623974
Energy: 1.7057909197418282
Energy: 1.137553611262593
Energy: 1.3239997206876184
Energy: 1.1155362430444717
Energy: 1.092449129986235
Energy: 1.1155362430446456
Energy: 1.3230065291475952
Energy: 1.0917699434055486
Energy: 1.0924416985026564
Energy: 1.091769943405353
Energy: 1.1381774904906385
Energy: 1.115218769164769
Energy: 1.7056469501647622
Energy: 1.1152187691651605
Energy: 1.2466694805409038
Energy: 1.0923939459623149
Energy: 1.3910838000423713
Energy: 1.092393945962119
Energy: 1.3225699020399173
Energy: 1.341900121969822
Energy: 1.3398509901011695
Energy: 1.3419001219696263
Energy: 1.4019060155540457
Energy: 1.1908925283299256
Energy: 1.3128378582142444
Energy: 1.190892528330491
Energy: 1.339765837994651
Energy: 1.3419502830217047
Energy: 1.3015884185381503
Energy: 1.3419502830220962
Energy: 1.3115168231765904
Energy: 1.0924365464259833
Energy: 1.1666071398168418
Energy: 1.0924365464261792
Energy: 1.7220144822210297
Energy: 1.251366448127486
Energy: 1.13773066893747
Energy: 1.2513664481280513
Energy: 1.3243490087253915
Energy: 1.3271971190118774
Energy: 1.2562381656177006
Energy: 1.3271971190111165
Energy: 1.3140069362906899
Energy: 1.1377638297951111
Energy: 1.3013390410577907
Energy: 1.1377638297954809
Energy: 1.7222639068856678
Energy: 1.1664334063762387
Energy: 1.16633649702091
Energy: 1.1664334063756516
Energy: 1.3116108340644923
Energy: 1.2510267337993481
Energy: 1.1385404310459468
Energy: 1.2510267337997176

minimum gb energy = 1.091769943405353 eV
minimum distance =  2.34784203305744 Angstroms
sigma value = 25


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

Energy: 1.216706550509552
Energy: 1.47810391903668
Energy: 1.276942939650394
Energy: 1.4781039190378633
Energy: 1.6288234479182238
Energy: 1.293032788026569
Energy: 1.2446115986180555
Energy: 1.293032788027268
Energy: 1.3497042695085826
Energy: 1.2445931494419777
Energy: 1.2445812086660784
Energy: 1.2445931494410365
Energy: 1.2194764285142032
Energy: 1.2443978756826493
Energy: 1.244470090367985
Energy: 1.244397875682165
Energy: 1.244466514835435
Energy: 1.2929497928525862
Energy: 1.64793252930835
Energy: 1.292949792851645
Energy: 1.6518371174720201
Energy: 1.208114831189318
Energy: 1.2107407984570802
Energy: 1.2081148311890757
Energy: 1.3065718223716927
Energy: 1.245030111011054
Energy: 1.2078504248218567
Energy: 1.2450301110119955
Energy: 1.2448702151674667
Energy: 1.3107110902676669
Energy: 1.6523258025135705
Energy: 1.3107110902695491
Energy: 1.310566586765044
Energy: 1.2084879597879543
Energy: 1.2077662064285166
Energy: 1.2084879597888953
Energy: 1.2995052783480583
Energy: 1.2088154920695366
Energy: 1.2078691714238654
Energy: 1.2088154920688106
Energy: 1.2245634349574448
Energy: 1.2447128335077215
Energy: 1.6013594366047474
Energy: 1.2447128335067803
Energy: 1.244156229727105
Energy: 1.2083425781268837
Energy: 1.244566322909383
Energy: 1.2083425781280668
Energy: 1.5336114010932338
Energy: 1.2446124326954704
Energy: 1.2451456414241442
Energy: 1.2446124326947443
Energy: 1.6305836555309579
Energy: 1.208122324497079
Energy: 1.3227608313185113
Energy: 1.208122324497079
Energy: 1.630743233220557
Energy: 1.2083100635093666
Energy: 1.3229189354728872
Energy: 1.2083100635095816
Energy: 1.6290531792665377
Energy: 1.2221198239228703
Energy: 1.2446061057197397
Energy: 1.2221198239228703
Energy: 1.244696371775135
Energy: 1.2085258602057767
Energy: 1.2463501607418108
Energy: 1.2085258602048354

minimum gb energy = 1.2077662064285166 eV
minimum distance =  2.34238564453489 Angstroms
sigma value = 17


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

Energy: 1.5719171883387653
Energy: 1.5316303879448698
Energy: 1.30306468082271
Energy: 1.5316303879448698
Energy: 1.4883740503655978
Energy: 1.306613290223177
Energy: 1.3627839622244533
Energy: 1.3066132902245173
Energy: 1.2922820881646557
Energy: 1.2724247081742628
Energy: 1.2692494884965566
Energy: 1.2724247081729225
Energy: 1.2436977382256598
Energy: 1.2511983623847849
Energy: 1.3092231702745873
Energy: 1.251198362386125
Energy: 1.2736495545359945
Energy: 1.3166115061025387
Energy: 1.5421356386610232
Energy: 1.3166115061038792
Energy: 1.4862405363192361
Energy: 1.2454861988349066
Energy: 1.2558332402749801
Energy: 1.2454861988375874
Energy: 1.399512719692461
Energy: 1.2429217740314993
Energy: 1.522795002411733
Energy: 1.2429217740288188
Energy: 1.2945303139521427
Energy: 1.250665162248021
Energy: 1.5868888184144991
Energy: 1.250665162248021
Energy: 1.28854219198823
Energy: 1.2684328549785924
Energy: 1.2421283054764696
Energy: 1.2684328549785924
Energy: 1.5399007970308838
Energy: 1.3214202463952358
Energy: 1.266952298394777
Energy: 1.3214202463952358
Energy: 1.2580695107185478
Energy: 1.2552802547123765
Energy: 1.478913475029822
Energy: 1.2552802547123765
Energy: 1.2548969318314478
Energy: 1.2674916401966903
Energy: 1.346089800271339
Energy: 1.2674916401966903
Energy: 1.5414353689450317
Energy: 1.3099464160368666
Energy: 1.3336891497220804
Energy: 1.3099464160408874
Energy: 1.25408180109373
Energy: 1.2565999074602265
Energy: 1.319935086809805
Energy: 1.2565999074629075
Energy: 1.2540368914570597
Energy: 1.3368113339959584
Energy: 1.553189324361608
Energy: 1.3368113339972987
Energy: 1.527107858995127
Energy: 1.2695839062510312
Energy: 1.2417037340172945
Energy: 1.2695839062510312
Energy: 1.2936274166269301
Energy: 1.3357481869622316
Energy: 1.2667288133605332
Energy: 1.3357481869622316
Energy: 1.2751792671156208
Energy: 1.3158182839859185
Energy: 1.4987319949707154
Energy: 1.3158182839845785
Energy: 1.3182126271493386
Energy: 1.2460837312162167
Energy: 1.3880297614057375
Energy: 1.2460837312162167
Energy: 1.5616548618877097
Energy: 1.3218260142966107
Energy: 1.5146862212446104
Energy: 1.3218260142966107
Energy: 1.2504585581435204
Energy: 1.2947840450079373
Energy: 1.4991763495372679
Energy: 1.2947840450039165
Energy: 1.25054159673609
Energy: 1.337441781515778
Energy: 1.2724619329281177
Energy: 1.3374417815171182
Energy: 1.5187657071217329
Energy: 1.2728142613493512
Energy: 1.2723835790139537
Energy: 1.272814261348011
Energy: 1.513820685761546
Energy: 1.2360564451035152
Energy: 1.328130447982226
Energy: 1.236056445102175
Energy: 1.513295780474571
Energy: 1.2460276766585865
Energy: 1.3283716684039377
Energy: 1.2460276766585865
Energy: 1.5192538870838759
Energy: 1.282005875574825
Energy: 1.290610679769852
Energy: 1.282005875574825
Energy: 1.2506004134968316
Energy: 1.2678278265407654
Energy: 1.273032947706299
Energy: 1.2678278265407654
Energy: 1.2509838999066154
Energy: 1.2509104026425193
Energy: 1.5478726170818373
Energy: 1.250910402641179
Energy: 1.292032452009547
Energy: 1.3220375043543615
Energy: 1.5172210266688424
Energy: 1.3220375043516805
Energy: 1.3188009702398613
Energy: 1.245570782424259
Energy: 1.2537487240640555
Energy: 1.245570782424259

minimum gb energy = 1.236056445102175 eV
minimum distance =  2.35590037758423 Angstroms
sigma value = 53


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

Energy: 1.2080000362159447
Energy: 1.2179482102521884
Energy: 1.3612077145507036
Energy: 1.217948210252504
Energy: 1.2076501084045725
Energy: 1.2186987157837708
Energy: 1.2075345586019868
Energy: 1.2186987157837708
Energy: 1.707593218406681
Energy: 1.2439921006112615
Energy: 1.4113101020135268
Energy: 1.2439921006112615
Energy: 1.4113112575360658
Energy: 1.244159481275461
Energy: 1.7074561861172093
Energy: 1.244159481275461
Energy: 1.2075425741855628
Energy: 1.2185620977266503
Energy: 1.206713514432198
Energy: 1.2185620977266503
Energy: 2.5125869139823185
Energy: 1.2179482102521884
Energy: 1.2080000362159447
Energy: 1.2179482102521884
Energy: 1.2075345586019868
Energy: 1.2186987157828588
Energy: 1.207650108401487
Energy: 1.2186987157828588
Energy: 1.4113101020128955
Energy: 1.2439921006109458
Energy: 1.7075932184072773
Energy: 1.2439921006112615
Energy: 1.7074561861172093
Energy: 1.244159481276688
Energy: 1.4113112575363815
Energy: 1.2441594812751455
Energy: 1.2067135144331098
Energy: 1.2185620977269658
Energy: 1.2075425741852475
Energy: 1.2185620977266503
Energy: 1.2080000362159447
Energy: 1.2179482102528196
Energy: 1.3612077193781367
Energy: 1.217948210252504
Energy: 1.2076501084039415
Energy: 1.2186987157837708
Energy: 1.2075345586019868
Energy: 1.2186987157837708
Energy: 1.7075932184063656
Energy: 1.2439921006112615
Energy: 1.4113101020132113
Energy: 1.2439921006112615

minimum gb energy = 1.206713514432198 eV
minimum distance =  2.33651149631795 Angstroms
sigma value = 9


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

Energy: 1.4485847629229174
Energy: 1.4393254443382661
Energy: 1.9034785215810326
Energy: 1.4393254443394086
Energy: 1.6661764324493524
Energy: 1.3737817155818877
Energy: 1.4079806643988109
Energy: 1.3737817155818877
Energy: 1.356864243107887
Energy: 1.3128336718568028
Energy: 1.3125989424082416
Energy: 1.3128336718579448
Energy: 1.3445973719106519
Energy: 1.3873040485520827
Energy: 1.396365359807483
Energy: 1.3873040485497987
Energy: 1.4103815395550072
Energy: 1.3566325779396207
Energy: 1.6583248697382995
Energy: 1.3566325779396207
Energy: 1.5997758071176387
Energy: 1.3754295177103424
Energy: 1.4205103332454692
Energy: 1.3754295177114846
Energy: 1.3730162451515389
Energy: 1.3751698719959402
Energy: 1.695914663719814
Energy: 1.3751698719959402
Energy: 1.3032551909902585
Energy: 1.3226258889397629
Energy: 1.3736015544370106
Energy: 1.3226258889386209
Energy: 1.3735532048831103
Energy: 1.36749363977972
Energy: 1.3636588056972387
Energy: 1.3674936397751516
Energy: 1.424690488442492
Energy: 1.3126306061036768
Energy: 1.4338560028125258
Energy: 1.312630606105961
Energy: 1.3091488465175178
Energy: 1.3802347850702208
Energy: 1.6011008089885839
Energy: 1.3802347850667946
Energy: 1.7282744999314974
Energy: 1.356822912685195
Energy: 1.3599612927738254
Energy: 1.356822912687479
Energy: 1.3960528762384203
Energy: 1.310663876217366
Energy: 1.312272050439382
Energy: 1.3106638762150817
Energy: 1.4123691418829987
Energy: 1.4324889315623368
Energy: 1.4395269941976079
Energy: 1.4324889315623368
Energy: 1.4135009776147056
Energy: 1.323805829194587
Energy: 1.3605375203871497
Energy: 1.323805829193445
Energy: 1.6339820133736525
Energy: 1.3118185264532087
Energy: 1.3152138661108859
Energy: 1.3118185264520668
Energy: 1.4243134125385768
Energy: 1.385323470257863
Energy: 1.7319683963833385
Energy: 1.3853234702555788
Energy: 1.311994206812067
Energy: 1.383084045091525
Energy: 1.4261335600760612
Energy: 1.383084045091525
Energy: 1.683017153451364
Energy: 1.4171711998839684
Energy: 1.3734679633708056
Energy: 1.4171711998839684
Energy: 1.3224404503120348
Energy: 1.312353179487071
Energy: 1.3592984642485129
Energy: 1.312353179488213
Energy: 1.3026272831519103
Energy: 1.325560703699635
Energy: 1.6448623238659057
Energy: 1.325560703698493
Energy: 1.4655128650742946
Energy: 1.3032306866220154
Energy: 1.4185673100362277
Energy: 1.3032306866231573
Energy: 1.4807117760196822
Energy: 1.374066150608358
Energy: 1.4196773424306854
Energy: 1.374066150606074
Energy: 1.3569477837041766
Energy: 1.3995723774098818
Energy: 1.6418881724176089
Energy: 1.3995723774087396
Energy: 1.3438282918088231
Energy: 1.3252885039197637
Energy: 1.3393946381420578
Energy: 1.3252885039186217
Energy: 1.5420565532139046
Energy: 1.3479066145820555
Energy: 1.3418852957654812
Energy: 1.3479066145820555
Energy: 1.5378250761364156
Energy: 1.3038755033449967
Energy: 1.4987614655309054
Energy: 1.3038755033461387
Energy: 1.4260242952725508
Energy: 1.3909158439721683
Energy: 1.495068503426511
Energy: 1.3909158439733103
Energy: 1.5945821483494742
Energy: 1.3451127421882871
Energy: 1.3389402504321766
Energy: 1.3451127421905713
Energy: 1.3520789012734638
Energy: 1.3233934208583622
Energy: 1.3124828643874127
Energy: 1.323393420856078
Energy: 1.3574912418437475
Energy: 1.391513071954783
Energy: 1.6057827072657307
Energy: 1.3915130719570672
Energy: 1.4821765586420454
Energy: 1.3037875863055337
Energy: 1.4223289357209858
Energy: 1.3037875863043917
Energy: 1.7247943602957352
Energy: 1.3048584202179856
Energy: 1.4189050923319624
Energy: 1.3048584202168436
Energy: 1.3334025543586898
Energy: 1.3261307063581833
Energy: 1.6238124989274692
Energy: 1.3261307063536152
Energy: 1.3223805033925267
Energy: 1.310164081130811
Energy: 1.3591145619345195
Energy: 1.310164081134237

minimum gb energy = 1.3026272831519103 eV
minimum distance =  2.32507544768492 Angstroms
sigma value = 73


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

Energy: 1.5259615469165875
Energy: 1.4005761567322514
Energy: 1.5486481289752445
Energy: 1.4005761567316954
Energy: 1.4760771656441665
Energy: 1.397410345764402
Energy: 1.4357714855200667
Energy: 1.3974103457642375
Energy: 1.392632031611358
Energy: 1.363770224682726
Energy: 1.3218958437357673
Energy: 1.3637702246814494
Energy: 1.3569135057829136
Energy: 1.3172102584415968
Energy: 1.4345537067300038
Energy: 1.3172102584412468
Energy: 1.5093938712899335
Energy: 1.3171561505508305
Energy: 1.4947949054832783
Energy: 1.3171561505512013
Energy: 1.7658367770923695
Energy: 1.4111600938187427
Energy: 1.3100634446261548
Energy: 1.41116009382074
Energy: 1.3893871996845761
Energy: 1.3225013165915709
Energy: 1.4962770351704309
Energy: 1.3225013165912003
Energy: 1.3194221094998397
Energy: 1.317877894863185
Energy: 1.425321340848679
Energy: 1.3178778948640912
Energy: 1.5856448182062273
Energy: 1.3633055049912957
Energy: 1.4534259739736384
Energy: 1.3633055049902043
Energy: 1.3177923687623323
Energy: 1.3630037214074657
Energy: 1.4534977390178163
Energy: 1.3630037214063744
Energy: 1.3172548052113564
Energy: 1.3183495730785613
Energy: 1.733661539708296
Energy: 1.318349573077655
Energy: 1.633913465717325
Energy: 1.317705594962316
Energy: 1.5202142370416938
Energy: 1.3177055949633867
Energy: 1.5097523897241263
Energy: 1.4083615080846539
Energy: 1.307294819993175
Energy: 1.4083615080842833
Energy: 1.3930165726932302
Energy: 1.4621908308577056
Energy: 1.8307757470861845
Energy: 1.4621908308589824
Energy: 1.3567139737846474
Energy: 1.3179386764628904
Energy: 1.3356842512043778
Energy: 1.317938676464167
Energy: 1.439084650325529
Energy: 1.3635552587649953
Energy: 1.3227927292863102
Energy: 1.3635552587649953
Energy: 1.4759533175463786
Energy: 1.3888433083484575
Energy: 1.7124242823822065
Energy: 1.3888433083495488
Energy: 1.4767876548064331
Energy: 1.3888086520253435
Energy: 1.6343234132957227
Energy: 1.3888086520253435
Energy: 1.6357622446071913
Energy: 1.3633450341280615
Energy: 1.3357335907981551
Energy: 1.3633450341282265
Energy: 1.3565996535878524
Energy: 1.4038873128953364
Energy: 1.3219288001141352
Energy: 1.4038873128946157
Energy: 1.3928654667889462
Energy: 1.4499450717352238
Energy: 1.7782277970024618
Energy: 1.4499450717334121
Energy: 1.5104467433940312
Energy: 1.3989301401993692
Energy: 1.3072719272850393
Energy: 1.3989301401990195

minimum gb energy = 1.3072719272850393 eV
minimum distance =  2.28104386410825 Angstroms
sigma value = 7


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

Energy: 1.8078327511236096
Energy: 1.5456449561994694
Energy: 1.7600056161122488
Energy: 1.5456449562007506
Energy: 1.6740117532067011
Energy: 1.4159149063170557
Energy: 1.4423647277705247
Energy: 1.4159149063196184
Energy: 1.3697794569456936
Energy: 1.398204874440127
Energy: 1.4165802846796194
Energy: 1.398204874438846
Energy: 1.3756204301423844
Energy: 1.3087393328856727
Energy: 1.4013879996600112
Energy: 1.3087393328843915
Energy: 1.457339179108865
Energy: 1.3472681396143678
Energy: 1.3737297831650734
Energy: 1.3472681396130863
Energy: 1.7437959063623785
Energy: 1.3739348930280448
Energy: 1.374495761901803
Energy: 1.3739348930267927
Energy: 1.4524782527631948
Energy: 1.4497380074105755
Energy: 1.7065604456265084
Energy: 1.4497380074092945
Energy: 1.3745879607335245
Energy: 1.3738857159037474
Energy: 1.477088536710141
Energy: 1.3738857159024662
Energy: 1.697454030157035
Energy: 1.3822690660436505
Energy: 1.3833550673176271
Energy: 1.382269066042369
Energy: 1.402499835532776
Energy: 1.3075996384583646
Energy: 1.375034502550796
Energy: 1.3075996384622084
Energy: 1.4057523402315637
Energy: 1.3991716136977475
Energy: 1.5479062261302023
Energy: 1.3991716136990289
Energy: 1.726702454911529
Energy: 1.3899177868269454
Energy: 1.53968288012352
Energy: 1.3899177868295078
Energy: 1.633810595485691
Energy: 1.3881857997140368
Energy: 1.540593290688342
Energy: 1.3881857997127554
Energy: 1.4023234957607722
Energy: 1.4527841917904425
Energy: 1.6203558984828546
Energy: 1.4527841917917237
Energy: 1.4055361569750555
Energy: 1.3089173298696382
Energy: 1.3731891231393463
Energy: 1.3089173298696382
Energy: 1.7078252263184968
Energy: 1.507016339974008
Energy: 1.3967586264505123
Energy: 1.5070163399727265
Energy: 1.3769625411174167
Energy: 1.398210011201305
Energy: 1.4768451888965202
Energy: 1.398210011198742
Energy: 1.3749945221782625
Energy: 1.3471088198247632
Energy: 1.7434476246730723
Energy: 1.3471088198273256
Energy: 1.7202342000792192
Energy: 1.3737956410479026
Energy: 1.3770093315237295
Energy: 1.3737956410491838
Energy: 1.4585404821392352
Energy: 1.3473655251365084
Energy: 1.3746187002398964
Energy: 1.3473655251365084
Energy: 1.3735159823036276
Energy: 1.4209405960832624
Energy: 1.4411970311931694
Energy: 1.4209405960845436
Energy: 1.372878152817623
Energy: 1.3987163762217112
Energy: 1.402684727396722
Energy: 1.3987163762204298
Energy: 1.6876628930457394
Energy: 1.3681098283155317
Energy: 1.4265163185253869
Energy: 1.3681098283142505
Energy: 1.6604820837649799
Energy: 1.4096072304121583
Energy: 1.721658770044756
Energy: 1.409607230409596
Energy: 1.6608701636962204
Energy: 1.357170954627542
Energy: 1.4450199051590267
Energy: 1.357170954627542
Energy: 1.408558094658021
Energy: 1.3984301355149154
Energy: 1.40360472069173
Energy: 1.3984301355174777
Energy: 1.373760110986343
Energy: 1.3082678581596618
Energy: 1.4016017442707076
Energy: 1.308267858160943
Energy: 1.456954646704301
Energy: 1.3480779641789964
Energy: 1.697427860405542
Energy: 1.3480779641802774
Energy: 1.4642702238806162
Energy: 1.373362497904764
Energy: 1.3890785320578656
Energy: 1.373362497904764
Energy: 1.7297087944575924
Energy: 1.4504615962707053
Energy: 1.7293432014439891
Energy: 1.4504615962694238
Energy: 1.3890328507642307
Energy: 1.3735066476374904
Energy: 1.4766990952858319
Energy: 1.3735066476362094

minimum gb energy = 1.3075996384583646 eV
minimum distance =  2.27523435589963 Angstroms
sigma value = 29


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

Energy: 1.2224882703131474
Energy: 1.404540328035221
Energy: 1.6140232321248538
Energy: 1.404540328035221
Energy: 1.6358246198148867
Energy: 1.3018392308006288
Energy: 1.2878076969181527
Energy: 1.3018392308002071
Energy: 1.4904573504984173
Energy: 1.2614177623704517
Energy: 1.2622850333923374
Energy: 1.26141776237003
Energy: 1.7226279024052127
Energy: 1.2620697033802812
Energy: 1.2877830930782017
Energy: 1.262069703381149
Energy: 1.7326615393899747
Energy: 1.3498746854733494
Energy: 1.2620391641873425
Energy: 1.3498746854733494
Energy: 1.490965023137537
Energy: 1.2626120862030528
Energy: 1.261898888989239
Energy: 1.2626120862030528
Energy: 1.4081557551921655
Energy: 1.2613158294529707
Energy: 1.6153090609092093
Energy: 1.261315829453417
Energy: 1.2222241093428863
Energy: 1.2634956686834395
Energy: 1.990900744333085
Energy: 1.263495668683861
Energy: 1.707498045260706
Energy: 1.2876608277396386
Energy: 1.2619486961230282
Energy: 1.2876608277405064

minimum gb energy = 1.2222241093428863 eV
minimum distance =  2.38323936844284 Angstroms
sigma value = 5


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

Energy: 1.4772726704828514
Energy: 1.338828905229223
Energy: 1.75096259544986
Energy: 1.3388289052268028
Energy: 1.6632773295335521
Energy: 1.3029736110789667
Energy: 1.4239831046856641
Energy: 1.302973611075336
Energy: 1.3393457016279375
Energy: 1.3766381382972561
Energy: 1.3645666531744403
Energy: 1.3766381382996766
Energy: 1.3392730176290708
Energy: 1.3573537721989748
Energy: 1.4534566954673023
Energy: 1.3573537722001852
Energy: 1.284397177071171
Energy: 1.3567462855928853
Energy: 1.32732788720252
Energy: 1.3567462855904648
Energy: 1.4169155144315617
Energy: 1.3777671022666618
Energy: 1.3270551735565494
Energy: 1.3777671022666618
Energy: 1.4421503507236464
Energy: 1.347029370022497
Energy: 1.4706034038944125
Energy: 1.347029370026128
Energy: 1.444588405240309
Energy: 1.3474238278816828
Energy: 1.5727095601377774
Energy: 1.3474238278816828
Energy: 1.7975602698176685
Energy: 1.3220317108015076
Energy: 1.4426801983236217
Energy: 1.3220317108015076
Energy: 1.5899372993469971
Energy: 1.322389400770212
Energy: 1.445094273479033
Energy: 1.3223894007677912
Energy: 1.3613948289341915
Energy: 1.372908752158073
Energy: 1.4797130473151154
Energy: 1.3729087521592833
Energy: 1.3612726679608906
Energy: 1.370816739609589
Energy: 1.3075076839178668
Energy: 1.370816739609589
Energy: 1.4775244326108257
Energy: 1.3907970884071865
Energy: 1.3067901509390012
Energy: 1.3907970884059764
Energy: 1.315625439781032
Energy: 1.3571473459255867
Energy: 1.3065915911136012
Energy: 1.3571473459255867
Energy: 1.335335681651224
Energy: 1.3309200623520394
Energy: 1.5923905607911881
Energy: 1.3309200623508293
Energy: 1.6458125425731966
Energy: 1.3257393218262108
Energy: 1.4421478300756865
Energy: 1.3257393218262108
Energy: 1.6163013377448479
Energy: 1.326003655057899
Energy: 1.586801029389082
Energy: 1.3260036550566887
Energy: 1.3536861873305177
Energy: 1.3668326131711932
Energy: 1.5777123982193437
Energy: 1.3668326131699828
Energy: 1.4469235271577334
Energy: 1.3345474631877872
Energy: 1.3669912231001498
Energy: 1.334547463186577
Energy: 1.3448016394856748
Energy: 1.3770809197222444
Energy: 1.3256103646622206
Energy: 1.377080919719824
Energy: 1.3469099827980717
Energy: 1.3560823880568065
Energy: 1.3834832405586894
Energy: 1.3560823880580168
Energy: 1.4548691746856364
Energy: 1.3571297306510757
Energy: 1.3531814630210162
Energy: 1.3571297306498653
Energy: 1.339110118659232
Energy: 1.3562628157158032
Energy: 1.35288070808936
Energy: 1.356262815714593
Energy: 1.572756606660819
Energy: 1.3241309520550757
Energy: 1.778913138557279
Energy: 1.324130952053865
Energy: 1.5704809590483464
Energy: 1.3249367786701123
Energy: 1.7649526898409356
Energy: 1.3249367786737434
Energy: 1.4575467083031204
Energy: 1.3543045409933974
Energy: 1.3530877505208865
Energy: 1.3543045409946075
Energy: 1.343025160618694
Energy: 1.3571753660132415
Energy: 1.3528479580831598
Energy: 1.357175366010821
Energy: 1.3830311675662335
Energy: 1.3586175819098476
Energy: 1.525278960737455
Energy: 1.3586175819086372
Energy: 1.3473417192711252
Energy: 1.3561332444024963
Energy: 1.323604661959215
Energy: 1.356133244401286
Energy: 1.5744812260440786
Energy: 1.452427062128228
Energy: 1.3591537509925553
Energy: 1.4524270621270179
Energy: 1.4416240846077786
Energy: 1.349804176675722
Energy: 1.4687643005038273
Energy: 1.3498041766781426
Energy: 1.4440573676879915
Energy: 1.3057096355504407
Energy: 1.7069073187633212
Energy: 1.3057096355528612
Energy: 1.7667115442651442
Energy: 1.3244252750199614
Energy: 1.4418743542933508
Energy: 1.324425275018751

minimum gb energy = 1.284397177071171 eV
minimum distance =  2.27016152090804 Angstroms
sigma value = 1


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

Energy: 1.4709363550108805
Energy: 1.3275627921413733
Energy: 1.8152210780809408
Energy: 1.327562792143047
Energy: 1.474752234182596
Energy: 1.3270781505474103
Energy: 1.40960924471886
Energy: 1.3270781505474103
Energy: 1.3889800584060068
Energy: 1.3542428305699539
Energy: 1.5469998663472901
Energy: 1.3542428305699539
Energy: 1.3990863482657492
Energy: 1.330354171241906
Energy: 1.4805127408366887
Energy: 1.3303541712402323
Energy: 1.2933986475461858
Energy: 1.284554096654364
Energy: 1.2921338101642925
Energy: 1.284554096654364
Energy: 1.2921357496662131
Energy: 1.3054048402222567
Energy: 1.2924501719819133
Energy: 1.3054048402222567
Energy: 1.4533273073809838
Energy: 1.3294142000889708
Energy: 1.4498338598147134
Energy: 1.3294142000872973
Energy: 1.4532972602768404
Energy: 1.3293617858793987
Energy: 1.5217621643107042
Energy: 1.3293617858810722
Energy: 1.4112273019601493
Energy: 1.2842601064650125
Energy: 1.3242859540128389
Energy: 1.2842601064650125
Energy: 1.4112273019584758
Energy: 1.2849447822250533
Energy: 1.3242791348889655
Energy: 1.2849447822250533
Energy: 1.455000819751134
Energy: 1.3293216547042874
Energy: 1.5217621643073573
Energy: 1.3293216547042874
Energy: 1.453404154841014
Energy: 1.32996315474395
Energy: 1.4498338598130396
Energy: 1.329963154747297
Energy: 1.292172581929399
Energy: 1.3019564463401114
Energy: 1.2924968963091412
Energy: 1.3019564463401114
Energy: 1.2933582960060608
Energy: 1.2850804164927787
Energy: 1.2923468873105373
Energy: 1.285080416494452
Energy: 1.3200907565852642
Energy: 1.3331368522926161
Energy: 1.4802478609283414
Energy: 1.3331368522926161
Energy: 1.3889800584076804
Energy: 1.3542472861364856
Energy: 1.4913476864304045
Energy: 1.3542472861364856
Energy: 1.3969394415016838
Energy: 1.2818538855057575
Energy: 1.3713541303322332
Energy: 1.2818538855057575
Energy: 1.4709363550108805
Energy: 1.3275627921413733
Energy: 1.8152210923921446
Energy: 1.327562792143047
Energy: 1.474752234182596
Energy: 1.3270781505474103
Energy: 1.4096092447205333
Energy: 1.3270781505474103
Energy: 1.3889800584060068
Energy: 1.3542428305699539
Energy: 1.5469998663472901
Energy: 1.3542428305699539
Energy: 1.3990863482657492
Energy: 1.3303541712402323
Energy: 1.4805127408350154
Energy: 1.330354171241906
Energy: 1.2933986475461858
Energy: 1.284554096654364
Energy: 1.2921338101642925
Energy: 1.284554096654364
Energy: 1.2921357496662131
Energy: 1.3054048402222567
Energy: 1.2924501719819133
Energy: 1.3054048402222567
Energy: 1.4533273073809838
Energy: 1.3294142000889708
Energy: 1.4498338598147134
Energy: 1.3294142000872973

minimum gb energy = 1.2818538855057575 eV
minimum distance =  2.26797339382168 Angstroms
sigma value = 17


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

Energy: 1.526094132443816
Energy: 1.3124012753450127
Energy: 1.8456270350709383
Energy: 1.312401275346047
Energy: 1.310173027244292
Energy: 1.2697823857333326
Energy: 1.405667265150364
Energy: 1.2697823857354014
Energy: 1.2986793009299122
Energy: 1.30619200461608
Energy: 1.3443050021374316
Energy: 1.30619200461608
Energy: 1.3524083935220932
Energy: 1.3033307260625437
Energy: 1.512114185122266
Energy: 1.3033307260646123
Energy: 1.3313523689096967
Energy: 1.3018528217872465
Energy: 1.3274165601605823
Energy: 1.301852821785178
Energy: 1.3553011611268653
Energy: 1.3234459381390098
Energy: 1.3288100563855907
Energy: 1.3234459381390098
Energy: 1.330646090873149
Energy: 1.3100690877442727
Energy: 1.2773098481087526
Energy: 1.3100690877453067
Energy: 1.3301986989095058
Energy: 1.3107076263989184
Energy: 1.3184008790260124
Energy: 1.3107076264009871
Energy: 1.5670794372985917
Energy: 1.2950349988419518
Energy: 1.4985442198178545
Energy: 1.2950349988419518
Energy: 1.6199130658650458
Energy: 1.2952673070414138
Energy: 1.4960467655263132
Energy: 1.2952673070414138
Energy: 1.3893318879839844
Energy: 1.2951887403072344
Energy: 1.5174590881294683
Energy: 1.2951887403041313
Energy: 1.3868846780076862
Energy: 1.295075843652861
Energy: 1.3282786289268202
Energy: 1.295075843648724
Energy: 1.3496601024303005
Energy: 1.3127953785841187
Energy: 1.339583930601552
Energy: 1.3127953785830844
Energy: 1.2967462791974678
Energy: 1.3018659581050214
Energy: 1.3391136309878862
Energy: 1.3018659581019185
Energy: 1.3023928174235901
Energy: 1.3289898082166733
Energy: 1.3473931138167368
Energy: 1.3289898082135705
Energy: 1.3030002447625941
Energy: 1.3095363526799433
Energy: 1.3091147070653866
Energy: 1.3095363526799433
Energy: 1.4923921562310158
Energy: 1.2866835288960088
Energy: 1.3421539352586667
Energy: 1.2866835288949745
Energy: 1.3857341140908757
Energy: 1.3046043079275302
Energy: 1.5193069836732938
Energy: 1.3046043079244274
Energy: 1.3933129269305744
Energy: 1.2837480135150454
Energy: 1.3988028267554473
Energy: 1.283748013517114
Energy: 1.6896591086850627
Energy: 1.298661687462046
Energy: 1.393041714087458
Energy: 1.298661687461012
Energy: 1.3988410800212634
Energy: 1.3253165514410197
Energy: 1.5311140425041594
Energy: 1.3253165514399852
Energy: 1.3308595038345878
Energy: 1.301061033108534
Energy: 1.2841501919414235
Energy: 1.3010610331137054
Energy: 1.4481797134164824
Energy: 1.3897178509851498
Energy: 1.3645880430591573
Energy: 1.389717850986184
Energy: 1.3106087152493504
Energy: 1.309462670844068
Energy: 1.2810277279236775
Energy: 1.3094626708430337
Energy: 1.3407041209623407
Energy: 1.3267848726441263
Energy: 1.3786629235642403
Energy: 1.3267848726410234
Energy: 1.300325239530617
Energy: 1.301171153512237
Energy: 1.3321837834774493
Energy: 1.3011711535112027
Energy: 1.4308685450873837
Energy: 1.3019413180445545
Energy: 1.3865262986300422
Energy: 1.3019413180404174
Energy: 1.5025747637730027
Energy: 1.2763536675053078
Energy: 1.3789615101845665
Energy: 1.2763536675042737
Energy: 1.498606464321703
Energy: 1.2767218854258897
Energy: 1.3788931144130305
Energy: 1.2767218854207183
Energy: 1.2987389239758103
Energy: 1.3008743363293929
Energy: 1.3323063421922163
Energy: 1.3008743363293929
Energy: 1.3016402508137992
Energy: 1.3013492345478646
Energy: 1.3864694294906128
Energy: 1.301349234545796
Energy: 1.3104557432711614
Energy: 1.3268526084353005
Energy: 1.3263254643204159
Energy: 1.3268526084373689
Energy: 1.3153622131719398
Energy: 1.3095517396175238
Energy: 1.2802914466972413
Energy: 1.3095517396175238
Energy: 1.3987531643998476
Energy: 1.3107337833694772
Energy: 1.2845914098147244
Energy: 1.3107337833736141
Energy: 1.3378761570333584
Energy: 1.3004840479150916
Energy: 1.3279844312161833
Energy: 1.3004840479192288
Energy: 1.4171811829173553
Energy: 1.2787409573304418
Energy: 1.5073993002668646
Energy: 1.278740957327339
Energy: 1.7334161892331685
Energy: 1.2981200782583884
Energy: 1.3928217664704812
Energy: 1.2981200782594229
Energy: 1.4923104212233531
Energy: 1.2836752861846192
Energy: 1.3070751790951938
Energy: 1.2836752861856535

minimum gb energy = 1.2697823857333326 eV
minimum distance =  2.28343846045171 Angstroms
sigma value = 89


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

Energy: 1.4267638809489638
Energy: 1.2191401369859423
Energy: 1.5335024398388168
Energy: 1.2191401369859423
Energy: 1.304365847068335
Energy: 1.2291067374383375
Energy: 1.4189921934389294
Energy: 1.229106737437261
Energy: 1.3526498975094718
Energy: 1.2126799541506648
Energy: 1.2527384013858944
Energy: 1.2126799541511875
Energy: 1.2842599914617872
Energy: 1.2544186738983325
Energy: 1.4591087192056875
Energy: 1.254418673897779
Energy: 1.290718169328059
Energy: 1.2495627495049182
Energy: 1.2327290163373548
Energy: 1.2495627495054409
Energy: 1.2740967174636064
Energy: 1.3820111094223624
Energy: 1.3394981434592257
Energy: 1.3820111094212861
Energy: 1.2753862459712522
Energy: 1.212754785779476
Energy: 1.2329227142269208
Energy: 1.2127547857803063
Energy: 1.2764810458625213
Energy: 1.2534589255148383
Energy: 1.4038974700294187
Energy: 1.2534589255156376
Energy: 1.3519138429185373
Energy: 1.2497876631446998
Energy: 1.2402603169765387
Energy: 1.249787663144177
Energy: 1.2742491079445581
Energy: 1.2507395900873588
Energy: 1.2383455051376047
Energy: 1.2507395900871128
Energy: 1.37595768398877
Energy: 1.2127621248180462
Energy: 1.403808162979647
Energy: 1.2127621248172158
Energy: 1.3763066885463735
Energy: 1.2133605295950558
Energy: 1.4038469751333824
Energy: 1.2133605295961323
Energy: 1.3535781738576202
Energy: 1.2499561220900757
Energy: 1.240310219981546
Energy: 1.2499561220900757
Energy: 1.3526729144461171
Energy: 1.250865697311783
Energy: 1.2381807375067801
Energy: 1.250865697311783
Energy: 1.2751197265511847
Energy: 1.25355447944712
Energy: 1.4036663062634864
Energy: 1.2535544794468432

minimum gb energy = 1.2126799541506648 eV
minimum distance =  2.29238943076025 Angstroms
sigma value = 13


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

Energy: 1.3002825620607257
Energy: 1.1749149753382382
Energy: 1.4677870292710704
Energy: 1.1749149753382382
Energy: 1.2190679528492765
Energy: 1.1716587713643825
Energy: 1.2619952410035702
Energy: 1.1716587713643825
Energy: 1.2566349217436572
Energy: 1.148015413384123
Energy: 1.279361519571741
Energy: 1.1480154133863916
Energy: 1.2533821095938
Energy: 1.1697690798169107
Energy: 1.26192142810705
Energy: 1.1697690798180451
Energy: 1.1989393197711553
Energy: 1.1682439987911282
Energy: 1.1988629141614413
Energy: 1.1682439987922624
Energy: 1.2882593375067826
Energy: 1.1684651304066322
Energy: 1.2566213139579105
Energy: 1.1684651304054978
Energy: 1.2131811400788348
Energy: 1.1483294823674313
Energy: 1.2188517110056085
Energy: 1.1483294823674313
Energy: 1.219518557621827
Energy: 1.189531202822515
Energy: 1.2119509305482958
Energy: 1.189531202822515
Energy: 1.1929537003741038
Energy: 1.1683548715737635
Energy: 1.193871509127475
Energy: 1.1683548715748977
Energy: 1.3594761044984713
Energy: 1.1686707518388706
Energy: 1.2799868603763533
Energy: 1.1686707518388706
Energy: 1.2631164969361854
Energy: 1.148145145377757
Energy: 1.2514558297222647
Energy: 1.1481451453788911
Energy: 1.2567189537542023
Energy: 1.1485932183259264
Energy: 1.2120264051878078
Energy: 1.1485932183259264
Energy: 1.2808273845881153
Energy: 1.1699778643037997
Energy: 1.2840015280214598
Energy: 1.1699778643037997
Energy: 1.2423199663732165
Energy: 1.172753859229281
Energy: 1.4053144624659237
Energy: 1.1727538592304152
Energy: 1.263095689181243
Energy: 1.1483139797000321
Energy: 1.2500263331322
Energy: 1.148313979698898
Energy: 1.2567570767054357
Energy: 1.148400997477202
Energy: 1.2564166915054622
Energy: 1.1484009974783362
Energy: 1.2804014864955733
Energy: 1.1685134984726633
Energy: 1.1939491140842757
Energy: 1.1685134984726633
Energy: 1.1995843206323031
Energy: 1.168804032014314
Energy: 1.2806159355744176
Energy: 1.1688040320154482
Energy: 1.2131054414021034
Energy: 1.1483881477441293
Energy: 1.2190899045298431
Energy: 1.1483881477441293
Energy: 1.2193589304670165
Energy: 1.1484538631502985
Energy: 1.2130799340164358
Energy: 1.1484538631502985
Energy: 1.2806207791238322
Energy: 1.168837554973653
Energy: 1.199506936253569
Energy: 1.1688375549725187
Energy: 1.194083155059061
Energy: 1.1684718736488147
Energy: 1.2804014864876332
Energy: 1.1684718736488147
Energy: 1.2564166915020594
Energy: 1.1484104347079231
Energy: 1.2567780307814795
Energy: 1.1484104347090576
Energy: 1.2500263331276626
Energy: 1.1483017044941295
Energy: 1.2630722973816126
Energy: 1.1483017044941295
Energy: 1.4056348981154654
Energy: 1.172504597053211
Energy: 1.2421596820839838
Energy: 1.1725045970520767
Energy: 1.2841565054204631
Energy: 1.1700052965397199
Energy: 1.2808273845903837
Energy: 1.1700052965408543
Energy: 1.2120169258994966
Energy: 1.1485921574399225
Energy: 1.2566923164829196
Energy: 1.1485921574399225
Energy: 1.251455829731339
Energy: 1.1481292186946948
Energy: 1.2631104811669553
Energy: 1.1481292186935605
Energy: 1.2799734463042467
Energy: 1.1687002804183233
Energy: 1.3590355495498057
Energy: 1.168700280417189
Energy: 1.193842582632872
Energy: 1.1683384071853191
Energy: 1.1929610168464542
Energy: 1.168338407184185
Energy: 1.211971031942347
Energy: 1.1897539556573855
Energy: 1.2192016473651497
Energy: 1.1897539556585197
Energy: 1.2188508702986096
Energy: 1.148312876797273
Energy: 1.2131756434403183
Energy: 1.148312876797273
Energy: 1.256626877601659
Energy: 1.1684604692449836
Energy: 1.2872478863541483
Energy: 1.1684604692438492
Energy: 1.200201788522981
Energy: 1.1682416795509494
Energy: 1.198948257543355
Energy: 1.1682416795509494
Energy: 1.2615973252616517
Energy: 1.1687317008264526
Energy: 1.2533750897387503
Energy: 1.1687317008264526

minimum gb energy = 1.148015413384123 eV
minimum distance =  2.30317476826637 Angstroms
sigma value = 37


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

Energy: 1.3164449336379755
Energy: 1.0994581471207205
Energy: 1.4105650905530005
Energy: 1.0994581471203215
Energy: 1.1508539015383035
Energy: 1.1259266758099082
Energy: 1.1949104332190141
Energy: 1.1259266758104847
Energy: 1.2283225593188585
Energy: 1.0727915675774378
Energy: 1.2500122081298606
Energy: 1.0727915675756858
Energy: 1.2319132608209937
Energy: 1.0823917707871595
Energy: 1.2493210724006754
Energy: 1.0823917707885347
Energy: 1.1953028911055887
Energy: 1.0727057448377617
Energy: 1.2416317452549512
Energy: 1.072705744836786
Energy: 1.2901721873046352
Energy: 1.101761091470437
Energy: 1.210466626852123
Energy: 1.1017610914710136
Energy: 1.1579030028426789
Energy: 1.0728445070372754
Energy: 1.1732096546827573
Energy: 1.07284450703885
Energy: 1.159517926499765
Energy: 1.185044553648356
Energy: 1.2034722364744868
Energy: 1.1850445536479568
Energy: 1.1634499187592746
Energy: 1.0726695259174912
Energy: 1.2033580643270574
Energy: 1.0726695259174912
Energy: 1.2897195187364265
Energy: 1.101772760636073
Energy: 1.205836259870313
Energy: 1.101772760636073
Energy: 1.1724757355409963
Energy: 1.0727573764983473
Energy: 1.239549619984
Energy: 1.0727573764987466
Energy: 1.1742110450096053
Energy: 1.1027673096858674
Energy: 1.2046508619790763
Energy: 1.1027673096854902
Energy: 1.2287161579182868
Energy: 1.072320137028066
Energy: 1.2437986903313203
Energy: 1.072320137028465
Energy: 1.1507551151540047
Energy: 1.0732518722944333
Energy: 1.2448652569664205
Energy: 1.0732518722952316
Energy: 1.2654311249467993
Energy: 1.0991523991667247
Energy: 1.239658880890883
Energy: 1.099152399167124
Energy: 1.2414964148230325
Energy: 1.1088186550540315
Energy: 1.177268515281445
Energy: 1.1088186550542312
Energy: 1.2283360775181509
Energy: 1.0724437835298217
Energy: 1.2438472772006275
Energy: 1.0724437835307976
Energy: 1.2298912209392814
Energy: 1.0732004064189755
Energy: 1.2449177624577312
Energy: 1.0732004064189755
Energy: 1.17249979005314
Energy: 1.072628300881197
Energy: 1.2396223069163488
Energy: 1.0726283008807977
Energy: 1.174418374462852
Energy: 1.1023157129407264
Energy: 1.2410884461945908
Energy: 1.1023157129399503

minimum gb energy = 1.072320137028066 eV
minimum distance =  2.29501596646955 Angstroms
sigma value = 25


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

Energy: 1.2369580468360168
Energy: 0.9945037461575952
Energy: 1.2471989696800203
Energy: 0.9945037461560713
Energy: 1.1147215045832821
Energy: 1.0209839456301588
Energy: 1.1021244680655828
Energy: 1.0209839456347303
Energy: 1.1047661220065963
Energy: 0.9782483503381016
Energy: 1.2016567501664803
Energy: 0.9782483503381016
Energy: 1.123767505286811
Energy: 1.0431260433563914
Energy: 1.1019511181071742
Energy: 1.0431260433579155
Energy: 1.1358208100460887
Energy: 0.9666003012915277
Energy: 1.1005158817620815
Energy: 0.9666003012915277
Energy: 1.1238699688220262
Energy: 1.0481514240503962
Energy: 1.136795738306228
Energy: 1.0481514240519203
Energy: 1.0563126974587538
Energy: 0.966125717387963
Energy: 1.1258122920210263
Energy: 0.966125717387963
Energy: 1.1210272385490918
Energy: 0.9815754556882929
Energy: 1.1367379004699278
Energy: 0.981575455686769
Energy: 1.0747072409749236
Energy: 0.9661605479934671
Energy: 1.0862723290403071
Energy: 0.9661605479934671
Energy: 1.1429347606777522
Energy: 1.025173050238467
Energy: 1.1000192729707734
Energy: 1.0251730502369432
Energy: 1.0696392297227317
Energy: 0.9660267297115233
Energy: 1.0931392117931507
Energy: 0.9660267297115233
Energy: 1.117499286882891
Energy: 0.9818242499371768
Energy: 1.1357138242228584
Energy: 0.9818242499387005
Energy: 1.0592949861380636
Energy: 0.9660066208861864
Energy: 1.1046517487969771
Energy: 0.9660066208861864
Energy: 1.1132259122063568
Energy: 0.9815804464417369
Energy: 1.0954318385688493
Energy: 0.9815804464417369
Energy: 1.1134785812995838
Energy: 0.9660468419320593
Energy: 1.1031689928668347
Energy: 0.966046841933583
Energy: 1.0875474325485124
Energy: 0.9656917368192997
Energy: 1.0742097221811637
Energy: 0.9656917368192997
Energy: 1.1009283914121166
Energy: 0.9781924405011035
Energy: 1.0914952956817285
Energy: 0.9781924405026274
Energy: 1.0560617655544562
Energy: 1.022945290220487
Energy: 1.0905310316634755
Energy: 1.022945290220487
Energy: 1.11947761959849
Energy: 0.994763049849448
Energy: 1.1035006564124394
Energy: 0.9947630498479241
Energy: 1.114588900502513
Energy: 0.9961628435859603
Energy: 1.1008080062431231
Energy: 0.9961628435829125
Energy: 1.1006436826057093
Energy: 0.9782262706114156
Energy: 1.0911767851084606
Energy: 0.9782262706098918
Energy: 1.1127861441699194
Energy: 0.9840346595222552
Energy: 1.0904886862827858
Energy: 0.9840346595222552
Energy: 1.1134896725277927
Energy: 0.9660713864468654
Energy: 1.1035131050120464
Energy: 0.9660713864483893
Energy: 1.08709271637136
Energy: 0.9659895944290687
Energy: 1.1356923625834752
Energy: 0.9659895944321164
Energy: 1.060357443622547
Energy: 0.9660651368994749
Energy: 1.1043753162031325
Energy: 0.9660651369009988
Energy: 1.132940422716562
Energy: 0.9819025053119428
Energy: 1.0952678079185867
Energy: 0.981902505310419

minimum gb energy = 0.9656917368192997 eV
minimum distance =  2.30352023400679 Angstroms
sigma value = 41


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

Energy: 1.1174876377484557
Energy: 0.9178013299421947
Energy: 1.1272232818171724
Energy: 0.9178013299434439
Energy: 0.9920076849755481
Energy: 0.930283286738425
Energy: 1.0438441843191122
Energy: 0.9302832867346769
Energy: 1.007466853022539
Energy: 0.8961126564197457
Energy: 1.1358895092332264
Energy: 0.8961126564197457
Energy: 1.0360164392363633
Energy: 0.9658843270395479
Energy: 1.0433284840394204
Energy: 0.9658843270395479
Energy: 1.1140853558938995
Energy: 0.8868223964513329
Energy: 1.0005084236734831
Energy: 0.8868223964513329
Energy: 1.03604751844713
Energy: 0.9640599454613762
Energy: 1.0308811572221621
Energy: 0.9640599454588776
Energy: 1.0207765013862855
Energy: 0.8809551206550944
Energy: 1.064877687148609
Energy: 0.8809551206550944
Energy: 1.03785637530871
Energy: 0.9690951318751194
Energy: 1.0308211701822017
Energy: 0.9690951318788674
Energy: 1.061467538049182
Energy: 0.8809266351623231
Energy: 0.9935581526805343
Energy: 0.8809266351598242
Energy: 1.0378588029350704
Energy: 0.9273188107922316
Energy: 1.0385418202642287
Energy: 0.9273188107922316
Energy: 1.0246967807523903
Energy: 0.8809351683996045
Energy: 1.0179845670732504
Energy: 0.8809351683996045
Energy: 1.025626767378462
Energy: 0.9150001658425375
Energy: 1.0384048407356414
Energy: 0.9150001658425375
Energy: 1.0300641778450992
Energy: 0.8808781241004516
Energy: 1.0145662294234294
Energy: 0.8808781240992024
Energy: 1.0370040967720076
Energy: 0.8900797366897393
Energy: 1.038628696884961
Energy: 0.8900797366897393
Energy: 1.040558495132144
Energy: 0.8808760414384404
Energy: 0.9977116760339518
Energy: 0.8808760414384404
Energy: 1.0257413243035567
Energy: 0.8907122873315821
Energy: 1.0401348733875657
Energy: 0.8907122873315821
Energy: 1.0247090343762195
Energy: 0.8809880332724451
Energy: 1.0445289405285245
Energy: 0.8809880332711958
Energy: 1.0324434726250151
Energy: 0.8810366556614609
Energy: 1.0080292059455112
Energy: 0.8810366556614609
Energy: 1.0087182576047329
Energy: 0.8869651105560865
Energy: 1.0028008891897295
Energy: 0.8869651105560865
Energy: 1.008128285794501
Energy: 0.9572038471713635
Energy: 0.987207383389735
Energy: 0.9572038471713635
Energy: 1.0047072511223698
Energy: 0.8965642620257884
Energy: 1.026275161406361
Energy: 0.8965642620232899
Energy: 0.9973541425075646
Energy: 0.9679044791939685
Energy: 1.0378526667676742
Energy: 0.9679044791939685
Energy: 1.0248876599611747
Energy: 0.9183673372449054
Energy: 1.0039958317277249
Energy: 0.9183673372449054
Energy: 1.0600278482738201
Energy: 0.9189402438521516
Energy: 0.987703474239115
Energy: 0.9189402438521516
Energy: 1.0114781218581113
Energy: 0.896537542947251
Energy: 1.0285528437337195
Energy: 0.8965375429460016
Energy: 1.0327036851808236
Energy: 0.8964384425184333
Energy: 1.0378550467699588
Energy: 0.896438442517184
Energy: 1.0077894927427213
Energy: 0.8871025883545803
Energy: 1.0040721180113816
Energy: 0.8871025883558297
Energy: 1.042138102261009
Energy: 0.8908525336994619
Energy: 1.0403648044144957
Energy: 0.8908525336994619
Energy: 1.0194133679836739
Energy: 0.8807861430314816
Energy: 1.0446452443286494
Energy: 0.8807861430314816
Energy: 1.0369118836555884
Energy: 0.8801818838647372
Energy: 1.0342749346124551
Energy: 0.8801818838659864
Energy: 1.0406705311023587
Energy: 0.8808542483699612
Energy: 0.9925669066019397
Energy: 0.8808542483737093
Energy: 1.0264486880492154
Energy: 0.8898499176692416
Energy: 1.0491993583237966
Energy: 0.8898499176692416

minimum gb energy = 0.8801818838647372 eV
minimum distance =  2.30441237262236 Angstroms
sigma value = 15


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

Energy: 1.0405636198120924
Energy: 0.8474621845409799
Energy: 1.03294976711973
Energy: 0.8474621845420383
Energy: 0.9726757810147059
Energy: 0.9022454139104044
Energy: 0.9593552547955777
Energy: 0.9022454139072292
Energy: 0.930341402747546
Energy: 0.8385053178468787
Energy: 1.0240531741859555
Energy: 0.838505317847937
Energy: 0.9637055634269177
Energy: 0.8915261718707894
Energy: 0.96714787246394
Energy: 0.8915261718697312
Energy: 1.0529815846313522
Energy: 0.8250588915673652
Energy: 0.9236742167010921
Energy: 0.825058891566307
Energy: 0.9639458206367137
Energy: 0.8907158848542659
Energy: 0.9594943244944468
Energy: 0.8907158848563825
Energy: 0.9377836406056043
Energy: 0.8154914978451914
Energy: 1.0030720743198447
Energy: 0.8154914978451914
Energy: 0.956254542402442
Energy: 0.8896965146326884
Energy: 0.9599193231280447
Energy: 0.8896965146326884
Energy: 1.0050318563547693
Energy: 0.8124259976445182
Energy: 0.9202541488556388
Energy: 0.8124259976487516
Energy: 0.9562738848194106
Energy: 0.8968400340536029
Energy: 0.9606094182260089
Energy: 0.8968400340536029
Energy: 0.9428593302440785
Energy: 0.8123714922306641
Energy: 0.9654244081680236
Energy: 0.8123714922338392
Energy: 0.9614478267644636
Energy: 0.8448167480771456
Energy: 0.9601443331094789
Energy: 0.8448167480771456
Energy: 0.9673890523289694
Energy: 0.8124026351231312
Energy: 0.9406449380366962
Energy: 0.8124026351231312
Energy: 0.9619275258326052
Energy: 0.8374351200812237
Energy: 0.9615573481871649
Energy: 0.837435120079107
Energy: 0.9639169286308951
Energy: 0.8123066866649534
Energy: 0.9396129731852246
Energy: 0.8123066866628366
Energy: 0.961479293590492
Energy: 0.8366004742234237
Energy: 0.9597111244554586
Energy: 0.8366004742265986
Energy: 0.9469053453046425
Energy: 0.8123025660399384
Energy: 0.9593388678345233
Energy: 0.8123025660399384
Energy: 0.9598311322174531
Energy: 0.8204375767611989
Energy: 0.9637060075705149
Energy: 0.8204375767622573
Energy: 0.9863308840116144
Energy: 0.8122579936871539
Energy: 0.9243789248172055
Energy: 0.8122579936850371
Energy: 0.9606432338395358
Energy: 0.8264117327937885
Energy: 0.9550639295277562
Energy: 0.8264117327990803
Energy: 0.9418731730816482
Energy: 0.8155879245770216
Energy: 0.9772074896158252
Energy: 0.8155879245749049
Energy: 0.9619208482654598
Energy: 0.8854753048417758
Energy: 0.9659769595950743
Energy: 0.8854753048407175
Energy: 0.9509310192385528
Energy: 0.8251002799903036
Energy: 0.9250218707704752
Energy: 0.8251002799881868
Energy: 0.9668254709574521
Energy: 0.8897384099594422
Energy: 0.9657879298230315
Energy: 0.8897384100102428
Energy: 0.9288046083833745
Energy: 0.8381261587939254
Energy: 0.9714223344919424
Energy: 0.8381261587949838
Energy: 0.9239133444518587
Energy: 0.8958741267305861
Energy: 0.9806234348556631
Energy: 0.8958741267305861
Energy: 0.964741282127427
Energy: 0.8489981280450521
Energy: 0.926218069657446
Energy: 0.8489981280471687
Energy: 0.972803230882036
Energy: 0.8575405832829973
Energy: 0.9657142722609204
Energy: 0.8575405832829973
Energy: 0.9354579633485649
Energy: 0.8382715148386003
Energy: 0.972251100759646
Energy: 0.8382715148396105
Energy: 0.9621401797801082
Energy: 0.8355349889582014
Energy: 0.9806538400269619
Energy: 0.8355349889582014
Energy: 0.9500803445079455
Energy: 0.8249652680766145
Energy: 0.9260769593423402
Energy: 0.8249652680797895
Energy: 0.9666570156842653
Energy: 0.8323767922570485
Energy: 0.9553558157104771
Energy: 0.832376792261282
Energy: 0.9369983481530437
Energy: 0.8155394024336999
Energy: 0.9770274459989915
Energy: 0.8155394024326416
Energy: 0.9600866094482515
Energy: 0.8191975377668687
Energy: 0.9658946620531991
Energy: 0.8191975377615769
Energy: 0.9861067068431059
Energy: 0.8123860826349688
Energy: 0.9569793666378447
Energy: 0.8123860826307354
Energy: 0.9603287437591901
Energy: 0.8250240328427917
Energy: 0.9599622479167285
Energy: 0.8250240328427917
Energy: 0.9406865375179855
Energy: 0.8124809613254659
Energy: 0.959240280605518
Energy: 0.8124809613212326

minimum gb energy = 0.8122579936850371 eV
minimum distance =  2.31509474057786 Angstroms
sigma value = 85


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

Energy: 1.049609065515558
Energy: 0.7952320184383902
Energy: 0.9179202196703771
Energy: 0.7952320184383902
Energy: 0.8802532493116152
Energy: 0.9374788479433963
Energy: 0.8913699101671549
Energy: 0.9374788479433963
Energy: 0.8349215602492808
Energy: 0.7918828166358874
Energy: 1.004436195778419
Energy: 0.7918828166368054
Energy: 0.8725664281519752
Energy: 0.7984086156796797
Energy: 0.8913789100727205
Energy: 0.7984086156796797
Energy: 1.0316138959095136
Energy: 0.7587599636874943
Energy: 0.835751624013589
Energy: 0.7587599636893301
Energy: 0.8726932087653771
Energy: 0.798295063748781
Energy: 0.8848539126462638
Energy: 0.7982950637460483
Energy: 0.8555350262409411
Energy: 0.7596065937115155
Energy: 1.0001868247048775
Energy: 0.7596065937105977
Energy: 0.8789441279726344
Energy: 0.8100129970370931
Energy: 0.885094515745915
Energy: 0.8100129970361751
Energy: 0.9609755779780581
Energy: 0.7403602775682515
Energy: 0.8821394341130595
Energy: 0.7403602775700873
Energy: 0.8789989460433476
Energy: 0.8193903365501713
Energy: 0.8861529754344485
Energy: 0.8193903365501713
Energy: 0.8603504473523077
Energy: 0.7403150338435652
Energy: 0.9439515146490141
Energy: 0.7403150338463188
Energy: 0.8915706452860623
Energy: 0.7468494333901536
Energy: 0.8860657542034603
Energy: 0.7468494333901536
Energy: 0.9050416480770135
Energy: 0.7403642237981656
Energy: 0.877476685689351
Energy: 0.7403642237990834
Energy: 0.8913870116659309
Energy: 0.7727556553996009
Energy: 0.8922785620018442
Energy: 0.7727556553977653
Energy: 0.8630937191924035
Energy: 0.7404994472311708
Energy: 0.9035581845520783
Energy: 0.7404994472330065
Energy: 0.8888622048370913
Energy: 0.7718106227188472
Energy: 0.8923779826316943
Energy: 0.7718106227179292
Energy: 0.8662214200554068
Energy: 0.7405815521461232
Energy: 0.8946870417424917
Energy: 0.7405815521470411
Energy: 0.8907046245861591
Energy: 0.7713434148517545
Energy: 0.8921567466263919
Energy: 0.7713434148526724
Energy: 0.8852066758134429
Energy: 0.7406363259447365
Energy: 0.8816970993215539
Energy: 0.7406363259456544
Energy: 0.8868332850053575
Energy: 0.7468119827023632
Energy: 0.9167369467587614
Energy: 0.7468119827023632
Energy: 0.8482330896711163
Energy: 0.740418192197148
Energy: 0.9229169003199634
Energy: 0.7404181921953122
Energy: 0.880039396008823
Energy: 0.7469679447526817
Energy: 0.8893727745910844
Energy: 0.7469679447526817
Energy: 0.9155469632770253
Energy: 0.7405298367689416
Energy: 0.8790497054697949
Energy: 0.7405298367689416
Energy: 0.8922617866713125
Energy: 0.8112530182493919
Energy: 0.8679611706878109
Energy: 0.8112530182503097
Energy: 0.8586236034242167
Energy: 0.7597161381149709
Energy: 0.8851225658984431
Energy: 0.7597161381149709
Energy: 0.8727889903686551
Energy: 0.7984852118355802
Energy: 0.8848809659338676
Energy: 0.7984852118337444
Energy: 0.9087862838384944
Energy: 0.7592898220605054
Energy: 0.8369689224080115
Energy: 0.7592898220614234
Energy: 0.9023895444204207
Energy: 0.8059007814653852
Energy: 0.8609358606728135
Energy: 0.8059007814644673
Energy: 0.8333911349500822
Energy: 0.7927507318073668
Energy: 0.8946548799122664
Energy: 0.7927507318073668
Energy: 0.8632344512901249
Energy: 0.7572718928806776
Energy: 0.891162792559747
Energy: 0.7572718928806776
Energy: 0.9327960689996241
Energy: 0.7962759978443847
Energy: 0.8378247097125
Energy: 0.7962759978425489
Energy: 0.9226668666542657
Energy: 0.814399631123865
Energy: 0.8613070242273735
Energy: 0.8143996311247831
Energy: 0.8336018822641013
Energy: 0.7926746104695385
Energy: 0.8952850491155069
Energy: 0.7926746104686205
Energy: 0.8727033930672855
Energy: 0.7424596696456655
Energy: 0.8913059320497388
Energy: 0.7424596696438297
Energy: 0.9090871831542561
Energy: 0.7591700946240431
Energy: 0.8377224618075779
Energy: 0.7591700946249611
Energy: 0.9023802269346041
Energy: 0.739971227522823
Energy: 0.8678265996679402
Energy: 0.739971227522823
Energy: 0.8551128870902575
Energy: 0.7596086996958956
Energy: 0.88511145839922
Energy: 0.7596086996940598
Energy: 0.880127568342832
Energy: 0.735441238978694
Energy: 0.8848377831939166
Energy: 0.7354412389777761
Energy: 0.9154433208547944
Energy: 0.7405067590051452
Energy: 0.8791361723241605
Energy: 0.7405067590060631
Energy: 0.8925439402595582
Energy: 0.735944069515493
Energy: 0.8865822011629071
Energy: 0.7359440695118422
Energy: 0.8567470787444893
Energy: 0.7405702560531932
Energy: 0.9228506888684587
Energy: 0.7405702560522751
Energy: 0.8911763644225941
Energy: 0.7466197335600275
Energy: 0.8892882152239135
Energy: 0.7466197335600275
Energy: 0.8852240714773495
Energy: 0.7356652580503039
Energy: 0.88018990867932
Energy: 0.7356652580503039

minimum gb energy = 0.7354412389777761 eV
minimum distance =  2.31275007575617 Angstroms
sigma value = 113


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

Energy: 0.014930559086514592
Energy: 0.015065179790918088
Energy: 1.4525890564911799
Energy: 0.015065179790918088
Energy: 0.0158893211701757
Energy: 0.7115401112110826
Energy: 0.0158893211701757
Energy: 0.7115401112110826
Energy: 1.2917191587239987
Energy: 0.015065179790918088
Energy: 0.014930559086514592
Energy: 0.015065179790918088
Energy: 0.0158893211701757
Energy: 0.7115401112110826
Energy: 0.0158893211701757
Energy: 0.7115401112117883
Energy: 0.014930559086514592
Energy: 0.015065179790918088
Energy: 1.4525890564911799
Energy: 0.015065179790918088
Energy: 0.0158893211701757
Energy: 0.7115401112110826
Energy: 0.0158893211701757
Energy: 0.7115401112110826

minimum gb energy = 0.014930559086514592 eV
minimum distance =  2.4449905739433 Angstroms
sigma value = 1