Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315671682358
cohesive_energy=3.540278438572939
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.91030724425088e-19, 2.5288755991056e-19, 2.99259358228422e-19, 3.36904100420886e-19, 3.6864161736379197e-19, 3.9597955726973396e-19, 4.19835967349994e-19, 4.4082287907876e-19, 4.593760845004799e-19, 4.758192232952219e-19, 4.90397428487988e-19, 5.033077678047599e-19, 5.1471045890893795e-19, 5.24735278107876e-19, 5.33491173412686e-19, 5.410710710681399e-19, 5.475550799059379e-19, 5.53012093521342e-19, 5.57504596803078e-19, 5.610854615800679e-19, 5.638011509746979e-19, 5.65694923756086e-19, 5.66806834340082e-19, 5.67170528436e-19, 5.6677799516067e-19, 5.655042647366399e-19, 5.63182710793974e-19, 5.59617867783324e-19, 5.54571011386224e-19, 5.47753749808554e-19, 5.388184107207359e-19, 5.273404173147599e-19, 5.12797460007942e-19, 4.945454637934139e-19, 4.717801360009079e-19, 4.4349851405754e-19, 4.0842846971591395e-19, 3.6495180457568995e-19, 3.1097928030613195e-19, 2.43793605335976e-19, 1.5981119118795419e-19, 5.42423308147236e-20, -7.94106031229028e-20, -2.50130213923446e-19, -4.70544857816094e-19, -7.588629518109299e-19, -1.1419770307096438e-18, -1.6608483423370797e-18, -2.38014554217138e-18, -3.40648387214544e-18, -4.925090972915999e-18, -7.279890080737499e-18, -1.1166866725419539e-17, -1.81677217235796e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013667490153720445
Energy: 0.014170466576690332
Energy: 0.6978361172116833
Energy: 0.10380357217989461
Energy: 0.014170466576690332
Energy: 0.7108660031430896
Energy: 0.103803572178639
Energy: 0.7108660031437174
Energy: 0.6978361172135319
Energy: 0.103803572178639
Energy: 0.013667490153720445
Energy: 0.014170466576690332
Energy: 0.10380357217989461
Energy: 0.7108660031430896
Energy: 0.014170466576690332
Energy: 0.7108660031430896

minimum gb energy = 0.013667490153720445 eV
minimum distance =  2.48450153827787 Angstroms
sigma value = 1


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

Energy: 1.2641387077111697
Energy: 0.8151524771231308
Energy: 0.910937676351164
Energy: 0.9095427368798281
Energy: 0.9354452516752526
Energy: 0.8966673852428544
Energy: 0.878042100723638
Energy: 0.8966673852436158
Energy: 0.9095743242440003
Energy: 0.9096325775987448
Energy: 1.376034778697725
Energy: 0.9096325775987448
Energy: 0.8737822204591016
Energy: 1.0427639549001444
Energy: 0.8779840544001966
Energy: 1.0427639549001444
Energy: 1.1735196776380925
Energy: 0.8566259614815454
Energy: 0.8242625907471195
Energy: 0.8566259614815454
Energy: 0.9187067343982092
Energy: 1.1785311866231831
Energy: 0.8459861143955608
Energy: 1.1785311866239447
Energy: 0.8863015913374349
Energy: 0.9465652163127823
Energy: 1.1744282661518042
Energy: 0.9465652163127823
Energy: 0.8797834913051771
Energy: 1.2027905011438766
Energy: 0.89647209463098
Energy: 1.2027905011431153
Energy: 1.0076518536325727
Energy: 0.99053820877137
Energy: 1.0111381409867055
Energy: 0.9905382087721314
Energy: 0.8942231561585144
Energy: 1.2410432717697204
Energy: 0.8799100344520003
Energy: 1.2410432717689588
Energy: 1.083023722829264
Energy: 0.9906902252317538
Energy: 1.009653024474995
Energy: 0.9906902252317538
Energy: 0.8768311668698451
Energy: 1.0790993052763935
Energy: 0.8995805035493841
Energy: 1.079099305277155
Energy: 0.8827239421224643
Energy: 0.9467518797794978
Energy: 1.2668921128393866
Energy: 0.9467518797794978
Energy: 0.9186154908362419
Energy: 1.1791145577023683
Energy: 0.8826376027286101
Energy: 1.1791145577023683
Energy: 1.2654371448807533
Energy: 0.8562208013451739
Energy: 0.8210787824513137
Energy: 0.8562208013444125
Energy: 0.8554287434604214
Energy: 1.0422060847492103
Energy: 0.877788102008743
Energy: 1.0422060847484491
Energy: 0.9100728902068113
Energy: 0.9065498721900355
Energy: 1.4857744687163759
Energy: 0.9065498721900355
Energy: 0.8779408408457636
Energy: 0.8749937675086558
Energy: 0.935679297555851
Energy: 0.8749937675086558
Energy: 1.3769030964489706
Energy: 0.9075323631113391
Energy: 0.9090279273268638
Energy: 0.9075323631105777
Energy: 0.918200715032931
Energy: 1.0427185381976092
Energy: 0.873272339024937
Energy: 1.0427185381976092
Energy: 0.8212331090283261
Energy: 0.8565711225245071
Energy: 1.1743091797474123
Energy: 0.8565711225245071
Energy: 0.8699095420494113
Energy: 1.2772309696894892
Energy: 0.9184292356260693
Energy: 1.2772309696902162
Energy: 1.1738170963803154
Energy: 0.9500967413278556
Energy: 0.8825716935146144
Energy: 0.9500967413286169
Energy: 0.8968355096210799
Energy: 1.202794604715915
Energy: 0.8777393022835108
Energy: 1.2027946047174378
Energy: 1.0090531032923074
Energy: 0.9921424910198511
Energy: 1.0085054090743255
Energy: 0.9921424910198511
Energy: 0.8815776782983827
Energy: 0.9916449374193131
Energy: 0.8962180387117699
Energy: 0.9916449374193131
Energy: 1.008336399414678
Energy: 0.9925147272173551
Energy: 1.0863587754993567
Energy: 0.9925147272173551
Energy: 0.8972333433415618
Energy: 1.021126072635705
Energy: 0.8876437084118178
Energy: 1.0211260726364664
Energy: 1.2707126984084711
Energy: 0.946910561218678
Energy: 0.8821793872865012
Energy: 0.9469105612194394
Energy: 0.8827736490408786
Energy: 1.004845122840338
Energy: 0.9184084312627574
Energy: 1.0048451228410993
Energy: 0.8206708147718861
Energy: 0.8554970962221791
Energy: 1.269124720332596
Energy: 0.8554970962229403
Energy: 0.8781146796856224
Energy: 1.042146538895206
Energy: 0.8552769200295304
Energy: 1.042146538895206
Energy: 1.4886088901358516
Energy: 0.8717651223355394
Energy: 0.9100772324637263
Energy: 0.8717651223363008

minimum gb energy = 0.8151524771231308 eV
minimum distance =  2.28675505698095 Angstroms
sigma value = 1


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

Energy: 1.4330389922913627
Energy: 0.8508191077847789
Energy: 0.9577758120962122
Energy: 0.9587089957047622
Energy: 0.9884520257482151
Energy: 0.9394629544557451
Energy: 0.922480703341997
Energy: 0.9394629544540088
Energy: 0.9597278778077213
Energy: 0.9594954101276293
Energy: 1.31486196392328
Energy: 0.9594954101293655
Energy: 0.9202643289994207
Energy: 1.0654271186031228
Energy: 0.9230109901881725
Energy: 1.0654271186039908
Energy: 1.3146695900654206
Energy: 0.8996481898047369
Energy: 0.8608847525250631
Energy: 0.8996481898047369
Energy: 0.9702676967229293
Energy: 1.287638511395555
Energy: 0.8889488309135082
Energy: 1.287638511394687
Energy: 0.9401347881496673
Energy: 1.0040702383006892
Energy: 1.1006804800985994
Energy: 1.0040702383015572
Energy: 0.9223243184478631
Energy: 1.2189968529247666
Energy: 0.9460665352711604
Energy: 1.2189968529230302
Energy: 1.100594297275739
Energy: 1.0476837691737546
Energy: 1.0076450793858396
Energy: 1.0476837691737546
Energy: 0.9470112131250433
Energy: 1.0682320350879109
Energy: 0.9227606697958215
Energy: 1.0682320350870425
Energy: 1.1966555732868547
Energy: 1.0037107153980271
Energy: 0.9414499949364239
Energy: 1.0037107153980271
Energy: 0.9317640478203674
Energy: 1.1780803850614059
Energy: 0.9697772125737545
Energy: 1.1780803848296981
Energy: 0.8617806623578219
Energy: 0.9007512279716862
Energy: 1.1961373499703867
Energy: 0.9007512279725541
Energy: 0.9225458543997623
Energy: 1.0654161706579068
Energy: 0.8973924072823593
Energy: 1.0654161705780796
Energy: 1.4347431008612577
Energy: 0.9592374395397759
Energy: 0.9584378437315233
Energy: 0.9592374395397759
Energy: 0.9884931715728802
Energy: 0.9188134416572487
Energy: 0.9225824763187452
Energy: 0.9188134416563805
Energy: 0.9577107086915392
Energy: 0.9589476984458513
Energy: 1.3156090599568815
Energy: 0.9589476984467193
Energy: 0.917755696009876
Energy: 1.065399048558498
Energy: 0.9692714084617596
Energy: 1.0653990487363827
Energy: 1.3152191952932004
Energy: 0.8998082899914738
Energy: 0.8615579553429907
Energy: 0.8998082899932098
Energy: 0.970261628435266
Energy: 1.288026302964481
Energy: 0.8895637887483713
Energy: 1.2880263029670853
Energy: 0.9408080109522774
Energy: 1.0040901818356416
Energy: 1.1006585317850979
Energy: 1.0040901818356416
Energy: 0.9223414205322448
Energy: 1.1379868874847736
Energy: 0.9468010943918784
Energy: 1.137986887483945
Energy: 1.1014337963352485
Energy: 1.0481772289019542
Energy: 1.0120419472773796
Energy: 1.048177228901086
Energy: 0.9472871531652227
Energy: 1.0434377809697843
Energy: 0.9357692877826395
Energy: 1.0434377809689162
Energy: 1.1948892801365838
Energy: 1.0029891824449209
Energy: 0.9398711164452871
Energy: 1.0029891824457888
Energy: 0.9319858870221085
Energy: 1.0574689771493375
Energy: 0.9691728002353733
Energy: 1.0574689771502057
Energy: 0.8612732441835932
Energy: 0.8616487788672776
Energy: 1.1992215550870629
Energy: 0.8616487788490473
Energy: 0.9225918282260479
Energy: 0.8621414409244771
Energy: 0.8976076907752464
Energy: 0.8621414409279495
Energy: 1.438867071413205
Energy: 0.9190281954314923
Energy: 0.9576138443502259
Energy: 0.9190281954323604

minimum gb energy = 0.8508191077847789 eV
minimum distance =  2.29017568179315 Angstroms
sigma value = 25


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

Energy: 1.3583458185166848
Energy: 0.8884522349048312
Energy: 1.0126430629768701
Energy: 1.0124475055327924
Energy: 1.0483302142839586
Energy: 0.9844875687956323
Energy: 0.9723457894025774
Energy: 0.9844875687956323
Energy: 1.0121806638307451
Energy: 1.0128008241868294
Energy: 1.230285455817218
Energy: 1.0128008241868294
Energy: 0.9657909458401068
Energy: 1.086780248178026
Energy: 0.97279403818861
Energy: 1.0867802481800446
Energy: 1.2322824294843566
Energy: 0.9052272490929952
Energy: 0.9048364078259674
Energy: 0.9052272490929952
Energy: 1.0271970225574147
Energy: 1.3028098981307448
Energy: 0.9361389174369072
Energy: 1.3028098981307448
Energy: 1.0156457939103558
Energy: 1.0705944015405189
Energy: 1.0146936475799275
Energy: 1.0705944015415283
Energy: 0.9724342296213034
Energy: 1.3360271241108104
Energy: 1.0034900377369398
Energy: 1.3360271241108104
Energy: 1.0154717412692953
Energy: 1.0688601748035422
Energy: 1.1072147439977624
Energy: 1.0688601748035422
Energy: 1.0274658892112198
Energy: 1.1687172207215148
Energy: 0.9903474391759128
Energy: 1.1687172207215148
Energy: 1.3627861697044859
Energy: 0.9469710441314962
Energy: 0.9036149722668014
Energy: 0.9469710441314962
Energy: 0.9444743799185247
Energy: 1.086920134729668
Energy: 0.9724085556523876
Energy: 1.0869201347286588
Energy: 1.0119229471202111
Energy: 1.0122094235345978
Energy: 1.3605255730300394
Energy: 1.0122094235345978
Energy: 0.972619934743603
Energy: 0.9661107545861719
Energy: 1.0472465703470832
Energy: 0.9661107545851627
Energy: 1.2310661536211727
Energy: 1.0124809127394423
Energy: 1.013700813700546
Energy: 1.0124809127394423
Energy: 1.0727445859539093
Energy: 0.9853900535786432
Energy: 0.9656206268813443
Energy: 0.9853900535786432
Energy: 0.9050643013127112
Energy: 0.9049225683630713
Energy: 1.232762635780537
Energy: 0.9049225683630713
Energy: 0.9359157289133495
Energy: 1.303281695316627
Energy: 1.0275972603500874
Energy: 1.303281695316627
Energy: 1.0147711036003815
Energy: 1.1121456244160093
Energy: 1.016498459280131
Energy: 1.1121456244160093
Energy: 1.004560835910507
Energy: 1.0709574744641364
Energy: 0.9739736742209221
Energy: 1.0709574744641364
Energy: 1.1027754173482562
Energy: 1.0679175339613438
Energy: 1.0146295069908748
Energy: 1.0679175339613438
Energy: 0.9874836733844315
Energy: 1.083163501279402
Energy: 1.0265796303422654
Energy: 1.083163501279402
Energy: 0.9049780112515015
Energy: 0.9476980944715787
Energy: 1.3613456616142894
Energy: 0.9476980944725878
Energy: 0.972544508875814
Energy: 0.9490453873579128
Energy: 0.9440361554936513
Energy: 0.9490453873579128
Energy: 1.3587811757094914
Energy: 0.9649855073166084
Energy: 1.012465019156751
Energy: 0.9649855073166084

minimum gb energy = 0.8884522349048312 eV
minimum distance =  2.29346139631775 Angstroms
sigma value = 9


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

Energy: 1.2474170235247433
Energy: 0.9221144847813524
Energy: 1.0700860424272949
Energy: 1.0695977069532476
Energy: 1.111602007344589
Energy: 1.0253973744525102
Energy: 1.0247392863569484
Energy: 1.0253973744525102
Energy: 1.0700913246436297
Energy: 1.0695910535027109
Energy: 1.4687871636292678
Energy: 1.0695910535027109
Energy: 1.0122759450069068
Energy: 1.105069970838277
Energy: 1.0248487087934617
Energy: 1.1050699708406846
Energy: 1.1187136262086672
Energy: 0.9536934986856361
Energy: 0.9532006077419982
Energy: 0.9536934986603826
Energy: 1.092162886025064
Energy: 1.294386284743878
Energy: 0.9844782165694568
Energy: 1.294386284743878
Energy: 0.9902133102771804
Energy: 1.1750705697495527
Energy: 1.1210816556365921
Energy: 1.175070569748349
Energy: 1.052726981298404
Energy: 1.2911224167172957
Energy: 1.0914817610665584
Energy: 1.2911224167172957
Energy: 0.9516777898149771
Energy: 0.9532190125654487
Energy: 1.2509662595850426
Energy: 0.9532190125642449
Energy: 1.024532557127302
Energy: 1.1046389463967519
Energy: 0.990453269043779
Energy: 1.1046389463967519
Energy: 1.2502456721069735
Energy: 1.069516539371002
Energy: 1.0766233408024235
Energy: 1.069516539371002
Energy: 1.111264530921454
Energy: 1.0126191027578952
Energy: 1.024796835546687
Energy: 1.0126191027578952
Energy: 1.0707217387345522
Energy: 1.0697697344745234
Energy: 1.4699461709186534
Energy: 1.0697697344745234
Energy: 1.0126788109479605
Energy: 1.0248716060575256
Energy: 1.1487370453174275
Energy: 1.0248716060587295
Energy: 1.1188407309142443
Energy: 0.9534800190595768
Energy: 0.9526623612033603
Energy: 0.9534800190343232
Energy: 1.0916405025042493
Energy: 0.9980944692177861
Energy: 0.952034496672259
Energy: 0.9980944692165822
Energy: 0.990095828094652
Energy: 1.1763835240857006
Energy: 1.1205072304456574
Energy: 1.1763835240844969
Energy: 0.9901500876233332
Energy: 1.1404276703973448
Energy: 1.0911474377102686
Energy: 1.1404276703973448
Energy: 0.9509930793580215
Energy: 0.9525258861037219
Energy: 1.2514987545758431
Energy: 0.95252588609773
Energy: 1.0246600185801282
Energy: 0.999773643760216
Energy: 0.9902375749645477
Energy: 0.999773643760216
Energy: 1.247556252103199
Energy: 1.012186713530777
Energy: 1.0700275974730338
Energy: 1.012186713530777

minimum gb energy = 0.9221144847813524 eV
minimum distance =  2.29592943816445 Angstroms
sigma value = 25


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

Energy: 1.0871566200282723
Energy: 0.9435697766649128
Energy: 1.1382034441045104
Energy: 1.1280998175642596
Energy: 1.183938720949634
Energy: 1.0167734708556218
Energy: 1.0736034605751859
Energy: 1.0167734708556218
Energy: 1.1282557878504724
Energy: 1.1283649462426832
Energy: 1.3364933103097976
Energy: 1.1283649462426832
Energy: 1.0609675859891874
Energy: 1.017725905315341
Energy: 1.0736413665089812
Energy: 1.0177259053168297
Energy: 1.0092134783669615
Energy: 1.1324638832885114
Energy: 1.0136610207906023
Energy: 1.1324638832885114
Energy: 1.188434577324814
Energy: 1.053445819113332
Energy: 0.9621759319395736
Energy: 1.053445819113332
Energy: 1.0896591845215455
Energy: 1.1060124726561127
Energy: 1.0114575157401469
Energy: 1.1060124726561127
Energy: 1.0749373196330971
Energy: 1.091620660910246
Energy: 1.0735936236497805
Energy: 1.091620660910246
Energy: 1.137649985081191
Energy: 1.1792917084203935
Energy: 1.5932799935496058
Energy: 1.1792917084203935
Energy: 1.0735827253501202
Energy: 1.0178859713540986
Energy: 1.1841764651332858
Energy: 1.0178859713540986
Energy: 1.3376568251503216
Energy: 1.12834163191033
Energy: 1.1299248806451936
Energy: 1.12834163191033
Energy: 1.187607022970127
Energy: 1.0180285257621666
Energy: 1.1298106165132784
Energy: 1.0180285257606776
Energy: 1.0801372696300662
Energy: 1.1067092426570606
Energy: 1.0096687632365788
Energy: 1.106709242622818
Energy: 1.013468380780971
Energy: 1.1059335047544034
Energy: 1.1898493298145298
Energy: 1.1059335047544034
Energy: 1.010328837512056
Energy: 1.0910426396756174
Energy: 1.1516503745345181
Energy: 1.091042639677106
Energy: 1.07362419992387
Energy: 1.091793727743534
Energy: 1.090848234727462
Energy: 1.091793727743534
Energy: 1.1851268132459876
Energy: 1.179636868032566
Energy: 1.137985616736502
Energy: 1.179636868032566

minimum gb energy = 0.9435697766649128 eV
minimum distance =  2.29547430786462 Angstroms
sigma value = 17


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

Energy: 1.5222190972156102
Energy: 1.176935906853585
Energy: 1.2775241736178082
Energy: 1.2796937855228558
Energy: 1.0375849810152462
Energy: 1.0168590857867745
Energy: 1.215382424976175
Energy: 1.0168590798930053
Energy: 1.0579166228552572
Energy: 1.0635707672208736
Energy: 1.380193268393216
Energy: 1.0635707672208736
Energy: 1.0146833990713533
Energy: 1.0834507261753152
Energy: 1.2158638763465197
Energy: 1.0834507261753152
Energy: 1.1399729931934988
Energy: 1.2489704018786743
Energy: 1.037449694997963
Energy: 1.2489704018786743
Energy: 1.2160357849199772
Energy: 1.1426291874080465
Energy: 1.0995917119042709
Energy: 1.1426291874080465
Energy: 1.240514240381239
Energy: 1.0652798948650186
Energy: 1.0650456478547428
Energy: 1.0652798948650186
Energy: 1.268120432474662
Energy: 1.0647003048712693
Energy: 1.0627381639727713
Energy: 1.0647003048712693
Energy: 1.2796963649430755
Energy: 1.2789502957292274
Energy: 1.3818656877045892
Energy: 1.2789502957283845
Energy: 1.2052809970828806
Energy: 1.1367323906194844
Energy: 1.2138666265724702
Energy: 1.1367323906194844
Energy: 1.1385156460351573
Energy: 1.1662301101206243
Energy: 1.0538880543721414
Energy: 1.1662301101265264
Energy: 1.2701586444578132
Energy: 1.134098482831349
Energy: 0.996714133676301
Energy: 1.1340984829375522
Energy: 1.0761837495878916
Energy: 1.133838145468981
Energy: 0.9957259770895762
Energy: 1.1338381454706672
Energy: 1.2376981811958119
Energy: 1.0408357701390711
Energy: 1.0535946786957633
Energy: 1.0408357701373847
Energy: 1.2741059401094488
Energy: 1.2672793987356383
Energy: 1.3138576723012882
Energy: 1.2672793987347952
Energy: 1.2805507928138622
Energy: 1.2241855544964748
Energy: 1.550803046686725
Energy: 1.2241855544964748
Energy: 1.4387055127434731
Energy: 1.0648091040972043
Energy: 1.0644139007952402
Energy: 1.0648091040980474
Energy: 1.3685874068570163
Energy: 1.0645164218929137
Energy: 1.0574591134408928
Energy: 1.0645164218929137
Energy: 1.2138864103944327
Energy: 1.1219269872564281
Energy: 1.1392919695794428
Energy: 1.1219269872564281
Energy: 1.0370570947183926
Energy: 1.3218008349657533
Energy: 1.1266869797504182
Energy: 1.3218008349657533
Energy: 1.0155572982916938
Energy: 1.017367737279051
Energy: 1.2689776134400932
Energy: 1.0173677372731487
Energy: 1.0634119013025791
Energy: 1.0708987219366364
Energy: 1.2357827338511655
Energy: 1.070898721935793
Energy: 1.2153744829533073
Energy: 1.1500425987463694
Energy: 1.2315889426000042
Energy: 1.1500425987463694
Energy: 1.381138125349604
Energy: 1.2792265865015027
Energy: 1.2802813900871013
Energy: 1.2792265865006596
Energy: 0.9970853610779498
Energy: 1.1500747836542669
Energy: 1.1741076713035188
Energy: 1.150074783682897
Energy: 0.9957236663119713
Energy: 0.9969379023408604
Energy: 1.140305430330598
Energy: 0.9969379023408604
Energy: 1.0330156305933935
Energy: 0.9959348593336594
Energy: 1.2698002814309879
Energy: 0.9959348593336594
Energy: 0.995401515943059
Energy: 0.9972414509509039
Energy: 1.238291731603099
Energy: 0.9972414509517471
Energy: 1.0556604589927292
Energy: 1.0143188166334658
Energy: 1.1728373937451346
Energy: 1.0143188166359953
Energy: 1.5232699593081007
Energy: 1.2801722576463321
Energy: 1.275152112060245
Energy: 1.2801722576480186

minimum gb energy = 0.995401515943059 eV
minimum distance =  2.28639811971856 Angstroms
sigma value = 53


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

Energy: 1.3594578481911774
Energy: 0.9167257455513991
Energy: 1.173003283720421
Energy: 1.17237182062024
Energy: 1.2945711729486569
Energy: 1.1436459689239478
Energy: 1.1189410209244095
Energy: 1.1436459689472418
Energy: 1.1681401103262457
Energy: 1.4373519048783103
Energy: 1.12696427086419
Energy: 1.4373519048783103
Energy: 1.0992151167060127
Energy: 1.1437108509523939
Energy: 1.1189856970686909
Energy: 1.1437108508961
Energy: 1.1324837623248372
Energy: 0.972972090745639
Energy: 0.896614448641334
Energy: 0.972972090745639
Energy: 1.0965743977009268
Energy: 1.4589638827660716
Energy: 0.8968151569096033
Energy: 1.4589638827641305
Energy: 1.364079675457035
Energy: 1.1952934703912546
Energy: 1.1711226546822535
Energy: 1.1952934703912546
Energy: 1.290883221233502
Energy: 1.384454548285251
Energy: 1.214580374738555
Energy: 1.384454548285251
Energy: 1.169023640387228
Energy: 1.437456192379644
Energy: 1.1287686948084383
Energy: 1.4374561923777027
Energy: 1.0970054379552825
Energy: 1.144409075231223
Energy: 1.1188147335389087
Energy: 1.144409075231223
Energy: 1.1315064175156706
Energy: 1.1834367311158764
Energy: 0.8968758530316909
Energy: 1.1834367311158764
Energy: 1.1177850967573946
Energy: 1.1833692283088573
Energy: 0.8992672006882078
Energy: 1.1833692283088573
Energy: 1.290828660290516
Energy: 1.1435990952858843
Energy: 1.1935737417548444
Energy: 1.1435990952858843

minimum gb energy = 0.896614448641334 eV
minimum distance =  2.27169066758946 Angstroms
sigma value = 9


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

Energy: 1.3169410361406304
Energy: 1.2859403710495778
Energy: 1.3809288817029042
Energy: 1.3802722749433631
Energy: 1.2270117457615484
Energy: 1.2532795379188557
Energy: 1.4100555013362344
Energy: 1.2532795379181372
Energy: 1.0086348939046912
Energy: 1.011416168351788
Energy: 1.2268038532376202
Energy: 1.0114161683532248
Energy: 1.011969245504766
Energy: 1.0399476643541916
Energy: 1.4027164310531295
Energy: 1.0399476643549102
Energy: 1.010377293672687
Energy: 1.0084913864548624
Energy: 1.375906555290667
Energy: 1.0084913864534255
Energy: 1.1132844643810116
Energy: 1.2523158908095677
Energy: 1.374994307203773
Energy: 1.2523158908110048
Energy: 1.4948276371787628
Energy: 1.339143660438364
Energy: 1.3816133113085245
Energy: 1.3391436604376454
Energy: 1.4942934175360005
Energy: 1.3041375566305438
Energy: 1.347795727202585
Energy: 1.3041375566298252
Energy: 1.0974100248800531
Energy: 1.349584429202663
Energy: 1.0565782963974824
Energy: 1.3495844292019448
Energy: 0.9767786675384994
Energy: 1.12347850855525
Energy: 1.2881901422776358
Energy: 1.1234785158780929
Energy: 1.136930480159017
Energy: 1.1385970789123183
Energy: 1.3577003893041646
Energy: 1.1385970789108817
Energy: 1.1645054074458938
Energy: 1.2198402702937754
Energy: 1.3215926950358408
Energy: 1.2198402702937754
Energy: 1.4955372623145415
Energy: 1.1328832669321114
Energy: 1.2893941897462282
Energy: 1.1328832669335482
Energy: 1.480079932793333
Energy: 1.1380455818624287
Energy: 1.16216909511038
Energy: 1.1380455818631472
Energy: 1.2873369803290071
Energy: 1.151567074275495
Energy: 1.060462455566885
Energy: 1.1515670742762136
Energy: 1.1356798581068757
Energy: 1.3353818230388206
Energy: 1.093940818624342
Energy: 1.3353818230416943
Energy: 1.299099244587936
Energy: 1.293417653690228
Energy: 1.1936563873117196
Energy: 1.2934176536895097
Energy: 1.3797284662710871
Energy: 1.3794945461071324
Energy: 1.3177147785454064
Energy: 1.3794945461085693
Energy: 1.367584244828101
Energy: 1.3054547080026264
Energy: 1.2198445840903074
Energy: 1.3054547080019079
Energy: 1.2263487738476648
Energy: 1.0109860711975795
Energy: 1.0085921758174154
Energy: 1.0109860712026089
Energy: 1.4028884486942115
Energy: 1.0090949762214574
Energy: 1.0117940865236075
Energy: 1.0090949762121173
Energy: 1.377584520526097
Energy: 1.0083618098267781
Energy: 1.0082820026598598
Energy: 1.0083618098274967
Energy: 1.3761934677486407
Energy: 1.2514332534084631
Energy: 1.06663032539319
Energy: 1.2514332534077444
Energy: 1.3781625758347689
Energy: 1.318284674235229
Energy: 1.4974847947817846
Energy: 1.3182846742345102
Energy: 1.3492232541696823
Energy: 1.303886945908436
Energy: 1.500939568753461
Energy: 1.3038869459141835
Energy: 1.0585634673555804
Energy: 1.352260706535553
Energy: 1.106005583204553
Energy: 1.352260706535553
Energy: 1.286978075684346
Energy: 1.122977186025929
Energy: 0.9766853583810302
Energy: 1.1229771860266475
Energy: 1.4740626280654254
Energy: 1.1327014037898808
Energy: 1.1377591586663287
Energy: 1.1327014037898808
Energy: 1.319177817023482
Energy: 1.2299276911814119
Energy: 1.16488352047305
Energy: 1.2299276911806931
Energy: 1.2683274946655239
Energy: 1.1320367260882847
Energy: 1.4119557514585177
Energy: 1.1320367260882847
Energy: 1.1623470258826147
Energy: 1.1390144527798474
Energy: 1.2290047420175112
Energy: 1.1390144527798474
Energy: 1.1062744002815368
Energy: 1.1250476234739997
Energy: 1.2873054177821996
Energy: 1.1250476234732811
Energy: 1.0619996860750096
Energy: 1.1710975190364878
Energy: 1.1384118312262896
Energy: 1.1710975190364878
Energy: 1.1878427981863926
Energy: 1.3417765280607175
Energy: 1.2170301751133843
Energy: 1.3417765280607175
Energy: 1.3198233314471326
Energy: 1.3800364778748393
Energy: 1.3794386388309605
Energy: 1.3800364778748393

minimum gb energy = 0.9766853583810302 eV
minimum distance =  2.28330422947839 Angstroms
sigma value = 73


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

Energy: 1.3815479291591215
Energy: 1.2055069063667432
Energy: 1.2956527317133533
Energy: 1.295136511451869
Energy: 1.3798008890809086
Energy: 1.3392424540024805
Energy: 1.4555089228502263
Energy: 1.3392424540024805
Energy: 1.0433930768039585
Energy: 1.2474454291922732
Energy: 1.1820379395903395
Energy: 1.2474454291922732
Energy: 1.0736266381233637
Energy: 1.0817144509673795
Energy: 1.42057295705969
Energy: 1.0817144509662395
Energy: 1.0703531453009427
Energy: 1.0513398115130703
Energy: 1.4234926106373766
Energy: 1.0513398115130703
Energy: 1.142639314334923
Energy: 1.2552172803852502
Energy: 1.4155074366351232
Energy: 1.25521728038639
Energy: 1.6637444352334094
Energy: 1.4798870091653695
Energy: 1.3505054554716158
Energy: 1.4798870091653695
Energy: 1.5996251249268412
Energy: 1.2418312767789002
Energy: 1.3082046573019444
Energy: 1.2418312767789002
Energy: 1.1754989753502445
Energy: 1.2977208066251753
Energy: 1.2044054643528552
Energy: 1.2977208066251753
Energy: 1.0462044630884586
Energy: 1.216442219383987
Energy: 1.2842641580512422
Energy: 1.216442219385127
Energy: 1.187350492613965
Energy: 1.0730830787845649
Energy: 1.2849224576673464
Energy: 1.0730830787845649
Energy: 1.1434125598462928
Energy: 1.0748857344193352
Energy: 1.2495978988280083
Energy: 1.0748857344193352
Energy: 1.2273695521643762
Energy: 1.1742383951932946
Energy: 1.1646676838871428
Energy: 1.1742383951932946
Energy: 1.1819057211458084
Energy: 1.2301222629284316
Energy: 1.1157767808170402
Energy: 1.2301222629284316
Energy: 1.2831563251501346
Energy: 1.203295349391175
Energy: 1.0756414930984934
Energy: 1.203295349391175
Energy: 1.3896003229406992
Energy: 1.3144464326102627
Energy: 1.1115900388727225
Energy: 1.3144464326102627
Energy: 1.3703095644824044
Energy: 1.2136331822239197
Energy: 1.157984529489534
Energy: 1.2136331822239197
Energy: 1.3165615767178542
Energy: 1.3536892401060758
Energy: 1.6601470489425858
Energy: 1.3536892401072156
Energy: 1.2245812865033823
Energy: 1.210909924359489
Energy: 1.474453305301533
Energy: 1.210909924359489
Energy: 1.1286990518705893
Energy: 1.2213799251824902
Energy: 1.1638853924107708
Energy: 1.2213799251836301
Energy: 1.1723394231710338
Energy: 1.2137601985634725
Energy: 1.04690808018246
Energy: 1.2137601985634725
Energy: 1.3827217442701034
Energy: 1.2456972362943468
Energy: 1.27903329531869
Energy: 1.2456972362943468

minimum gb energy = 1.0433930768039585 eV
minimum distance =  2.27567139321447 Angstroms
sigma value = 7


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

Energy: 1.6744902401091664
Energy: 1.2657538108793667
Energy: 1.3790707985736148
Energy: 1.3423224263331752
Energy: 1.2757688410657537
Energy: 1.1956342989751023
Energy: 1.3762890934920853
Energy: 1.19563429896543
Energy: 1.0298697585619656
Energy: 1.2028079324794778
Energy: 1.142852802604271
Energy: 1.2028079324786718
Energy: 1.0552676066756188
Energy: 1.0949744607019023
Energy: 1.3633816419007967
Energy: 1.0949744607035143
Energy: 1.1269396357331252
Energy: 1.1142776853780811
Energy: 1.286717496143161
Energy: 1.1142776853804994
Energy: 1.1412725761932339
Energy: 1.201344315096628
Energy: 1.2868867109403832
Energy: 1.2013443150958223
Energy: 1.4850774847258226
Energy: 1.2916703297989385
Energy: 1.166980861297709
Energy: 1.2916703298013565
Energy: 1.4138686135590435
Energy: 1.1038958991018057
Energy: 1.1628315750079823
Energy: 1.1038958991009997
Energy: 1.350253641699321
Energy: 1.0332888487322556
Energy: 1.0325502849712822
Energy: 1.0332888487322556
Energy: 1.2870390026592724
Energy: 1.245520768158287
Energy: 1.0374680031939525
Energy: 1.245520768155869
Energy: 1.37967940049406
Energy: 1.3122919213373823
Energy: 1.215654683690116
Energy: 1.312291921336576
Energy: 1.3892862476280117
Energy: 1.3050784203989685
Energy: 1.480448621972967
Energy: 1.3050784203997743
Energy: 1.211721958104522
Energy: 1.2198422904914163
Energy: 1.1939785148178486
Energy: 1.219842290489804
Energy: 1.1610908860942093
Energy: 1.1692644915487005
Energy: 1.0502695198520002
Energy: 1.1692644915487005
Energy: 1.2147781113045275
Energy: 1.1430348128865735
Energy: 1.0941099708482362
Energy: 1.1430348128865735
Energy: 1.5791605348297861
Energy: 1.1664728193569163
Energy: 1.2725949152543719
Energy: 1.1664728193577223
Energy: 1.4955209767823399
Energy: 1.1422452549890034
Energy: 1.4282940864161682
Energy: 1.1422452549906155
Energy: 1.1088656495869893
Energy: 1.3945914993817192
Energy: 1.1413988242963211
Energy: 1.3945914993833315
Energy: 1.0840864116687818
Energy: 1.0845070711373441
Energy: 1.353474026994232
Energy: 1.0845068106700884
Energy: 1.1400138383545126
Energy: 1.1186368521352479
Energy: 1.4083013134418287
Energy: 1.1186368521247698
Energy: 1.1819304705249285
Energy: 1.4689901796909044
Energy: 1.2899363824916281
Energy: 1.4689901796892921
Energy: 1.4635677406023908
Energy: 1.314936194375545
Energy: 1.371566325137788
Energy: 1.3149361943771574
Energy: 1.462717852819662
Energy: 1.120606478694509
Energy: 1.1452374344417553
Energy: 1.120606478693703
Energy: 1.3498294968441884
Energy: 1.0798169495518435
Energy: 1.0456037415652355
Energy: 1.0798169495510375
Energy: 1.2881655584684122
Energy: 1.3680826283681013
Energy: 1.0314044254694203
Energy: 1.3680826283681013
Energy: 1.3128219366509954
Energy: 1.195852651120694
Energy: 1.1243888496945722
Energy: 1.195852651119082
Energy: 1.3748719971575565
Energy: 1.3457244137483724
Energy: 1.4771841060997184
Energy: 1.3457244137491784
Energy: 1.1897587568165544
Energy: 1.1892357195389502
Energy: 1.2353108941397435
Energy: 1.1892357195389502
Energy: 1.1013228699295647
Energy: 1.1910320240999417
Energy: 1.1375767731941986
Energy: 1.1910320241007477
Energy: 1.1427935311476929
Energy: 1.166428900205678
Energy: 1.0509778554851636
Energy: 1.1664289002064843
Energy: 1.619896032743089
Energy: 1.279616030402706
Energy: 1.3322064191869887
Energy: 1.2796160303857793

minimum gb energy = 1.0298697585619656 eV
minimum distance =  2.24571894136715 Angstroms
sigma value = 29


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

Energy: 0.9049501524851923
Energy: 0.9065328724623565
Energy: 1.1733504731302904
Energy: 1.238680847617462
Energy: 0.9088480872019192
Energy: 1.016578132722685
Energy: 1.132165985784861
Energy: 1.0165781327229344
Energy: 1.3359826299210573
Energy: 1.2406210238607254
Energy: 1.0910180254699204
Energy: 1.2406210238612871
Energy: 1.0990029072994207
Energy: 0.9247764304928626
Energy: 1.131792932517015
Energy: 0.9247764304925818
Energy: 1.099926558327822
Energy: 1.0982704096030982
Energy: 0.908974584347882
Energy: 1.0982704096030982
Energy: 1.131688354686704
Energy: 1.1781507320771298
Energy: 0.9089135852118264
Energy: 1.1781507320774105
Energy: 0.911743158791649
Energy: 0.9901637873273034
Energy: 1.3368180907915117
Energy: 0.9901637873264924
Energy: 1.1315903558520448
Energy: 0.9259852599044167
Energy: 0.9385793591154958
Energy: 0.9259852599057893
Energy: 0.9089350283961428
Energy: 0.9285726188193856
Energy: 1.09467967434872
Energy: 0.9285726188191047

minimum gb energy = 0.9049501524851923 eV
minimum distance =  2.32209445220763 Angstroms
sigma value = 5


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

Energy: 1.3153571324860207
Energy: 0.9620534951758642
Energy: 1.2495917820314366
Energy: 1.2120263821304291
Energy: 1.298516345416102
Energy: 0.9397104157753523
Energy: 1.106477728079607
Energy: 0.9397104157745909
Energy: 1.1054619997888826
Energy: 1.0087637990056637
Energy: 1.0926764997622298
Energy: 1.008763799004141
Energy: 1.0169398113056172
Energy: 0.9379031219528324
Energy: 1.2695498087656174
Energy: 0.9379031219551166
Energy: 1.1636556598585674
Energy: 0.9672504668203213
Energy: 1.458378350546421
Energy: 0.9672504668203213
Energy: 0.9596213764677203
Energy: 0.9634473694127328
Energy: 1.42856423068075
Energy: 0.9634473694104486
Energy: 0.9370509350757084
Energy: 0.9370942236718943
Energy: 1.3369030430009472
Energy: 0.9370942236726557
Energy: 0.959504968941225
Energy: 0.9403089378479678
Energy: 1.3221521023655358
Energy: 0.9403089378479678
Energy: 1.2932184392983177
Energy: 1.1112088314825128
Energy: 1.3481397279159877
Energy: 1.1112088314832742
Energy: 1.152701348980857
Energy: 0.9321528999091206
Energy: 0.9725272080666885
Energy: 0.932152899909882
Energy: 1.3035875418087417
Energy: 0.9316027295814339
Energy: 0.9325050084821127
Energy: 0.9316027295814339
Energy: 1.2998765708568663
Energy: 0.9349693183377458
Energy: 0.9309849970728437
Energy: 0.9349693183392686
Energy: 1.3489366635123377
Energy: 1.196557816983088
Energy: 1.2149692865434383
Energy: 1.1965578169815652
Energy: 1.2980722895557628
Energy: 1.330303732582203
Energy: 1.178179368754681
Energy: 1.3303037325829645
Energy: 1.0201417286211438
Energy: 1.0824324145638968
Energy: 1.1751273072936101
Energy: 1.0824324145654194
Energy: 1.0045566585192767
Energy: 0.9208703011312915
Energy: 1.3007300861536384
Energy: 0.9208703011297686
Energy: 1.1478647275878548
Energy: 1.0257150632370748
Energy: 1.6000086273519276
Energy: 1.025715063235552
Energy: 1.2355685857308438
Energy: 0.9226252132531072
Energy: 1.3047284641120245
Energy: 0.9226252132538686
Energy: 1.1532101060597577
Energy: 0.9981005689050153
Energy: 1.043852727521861
Energy: 0.9981005689042539
Energy: 1.2605506486677738
Energy: 1.0833186137725066
Energy: 1.0140246908844937
Energy: 1.0833186137732682
Energy: 1.4052035770618108
Energy: 0.9442004398203087
Energy: 1.0419326378482747
Energy: 0.9442004398165018
Energy: 1.5151628071719088
Energy: 1.0235988761654602
Energy: 1.1425811079378452
Energy: 1.0235988761662216
Energy: 1.334256187723504
Energy: 0.9416572334262043
Energy: 0.9428238857967894
Energy: 0.9416572334262043
Energy: 1.326786224820539
Energy: 0.9441152651261828
Energy: 0.9582141120326345
Energy: 0.9441152651269442
Energy: 1.3006803794750261
Energy: 1.09287917314114
Energy: 1.2978457647119161
Energy: 1.0928791731403786
Energy: 1.0519102717597817
Energy: 0.928805943433911
Energy: 1.152549603704409
Energy: 0.9288059434346726
Energy: 0.9302669981769043
Energy: 0.9283769136222583
Energy: 1.3189619588363581
Energy: 0.9283769136207355
Energy: 0.9511878349674682
Energy: 0.9286276311421295
Energy: 1.243439572794498
Energy: 0.9286276311421295
Energy: 1.1343906787075293
Energy: 1.0483878373894608
Energy: 1.3192411263047346
Energy: 1.048387837391745
Energy: 1.1739544581661892
Energy: 1.1903652668092723
Energy: 1.2161803250103362
Energy: 1.190365266808511
Energy: 1.1744745712650637
Energy: 0.9396777053397539
Energy: 0.9420808256033902
Energy: 0.9396777053397539
Energy: 1.2742143933527916
Energy: 0.9388019552786525
Energy: 0.9418104484640062
Energy: 0.938801955277891
Energy: 1.6959471264002217
Energy: 0.9675717881165402
Energy: 1.0363553111540333
Energy: 0.9675717881165402

minimum gb energy = 0.9208703011297686 eV
minimum distance =  2.28789178833806 Angstroms
sigma value = 1


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

Energy: 1.4245421642259952
Energy: 0.9373400771157354
Energy: 0.9437947400767417
Energy: 0.9447693179959005
Energy: 1.257667913724998
Energy: 0.9078776097484226
Energy: 1.1254894124823318
Energy: 0.9078776097473698
Energy: 1.1170880531343792
Energy: 1.0005205736270244
Energy: 1.1241704155699874
Energy: 1.0005205736270244
Energy: 1.0051771378065788
Energy: 1.1204741685978987
Energy: 1.1775804707520872
Energy: 1.1204741685989517
Energy: 1.1690522856522283
Energy: 0.9860641782166589
Energy: 1.4666709875758344
Energy: 0.9860641782177118
Energy: 0.9848450952056643
Energy: 0.939227507530227
Energy: 1.467074041098143
Energy: 0.939227507530227
Energy: 0.9099928292316265
Energy: 0.9105795154814242
Energy: 1.3759304707647217
Energy: 0.9105795154814242
Energy: 0.9222296699086916
Energy: 0.9140444448705817
Energy: 1.4304963546202032
Energy: 0.9140444448716344
Energy: 1.1657668345076617
Energy: 0.9771984826246163
Energy: 1.370051258831864
Energy: 0.9771984826246163
Energy: 1.1986570176051543
Energy: 1.085417681265739
Energy: 0.9877896529066639
Energy: 1.0854176812667917
Energy: 1.1722605842090998
Energy: 0.888452318490155
Energy: 0.9872513690546453
Energy: 0.8884523184880495
Energy: 1.3041804504487977
Energy: 0.8822696962952771
Energy: 0.990491567395651
Energy: 0.8822696962942242
Energy: 1.299350012717407
Energy: 0.8903826301419169
Energy: 1.0168701371597881
Energy: 0.8903826301419169
Energy: 1.2299632152525515
Energy: 0.8775330694222525
Energy: 1.2024146606933193
Energy: 0.8775330694222525
Energy: 1.0088108607352348
Energy: 1.0965480177929274
Energy: 1.2004052902794868
Energy: 1.0965480177939804
Energy: 1.0192439453539939
Energy: 0.9117369327091895
Energy: 1.4088892334518701
Energy: 0.9117369327102423
Energy: 1.398656501784077
Energy: 0.9925556216522439
Energy: 1.6891822438144348
Energy: 0.9925556216532966
Energy: 0.9774734889645643
Energy: 0.9133711636092968
Energy: 1.4690288105149754
Energy: 0.9133711636092968
Energy: 0.9371083802430752
Energy: 0.9116792283318675
Energy: 1.3697255821374579
Energy: 0.9116792283318675
Energy: 1.0996746051006876
Energy: 0.9121544496924379
Energy: 1.4299725555682747
Energy: 0.9121544496913851
Energy: 1.2167755966358436
Energy: 0.9787435155810709
Energy: 1.3807512921014666
Energy: 0.9787435155810709
Energy: 1.2360681039525072
Energy: 0.9071959925841037
Energy: 0.9074345078263444
Energy: 0.9071959925841037
Energy: 1.287764124174059
Energy: 0.90631761530203
Energy: 0.906341785039967
Energy: 0.90631761530203
Energy: 1.427923518386926
Energy: 0.9422871752918291
Energy: 0.9443810577065892
Energy: 0.9422871752918291

minimum gb energy = 0.8775330694222525 eV
minimum distance =  2.29146366169727 Angstroms
sigma value = 17


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

Energy: 1.3775804347608631
Energy: 0.8840976450452299
Energy: 1.214820590354502
Energy: 0.9303123347067171
Energy: 1.4444007876004283
Energy: 0.8868795168744164
Energy: 1.0318833225491335
Energy: 0.8868795168802723
Energy: 1.1578269841935673
Energy: 0.8851469492358054
Energy: 1.0329841458633802
Energy: 0.8851469492358054
Energy: 1.1312787307566277
Energy: 0.8763615793301947
Energy: 1.117971611167087
Energy: 0.8763615793321466
Energy: 1.0279037021247535
Energy: 0.8761717956467756
Energy: 1.2727500728242642
Energy: 0.8761717956435222
Energy: 0.8982242961160292
Energy: 0.8950711658053054
Energy: 1.4213800393592557
Energy: 0.8950711658053054
Energy: 0.8767345594164971
Energy: 0.8756283963417345
Energy: 1.2846486195240747
Energy: 0.8756283963430359
Energy: 0.8807399961508092
Energy: 0.8780534814397657
Energy: 1.3810391421832808
Energy: 0.8780534814397657
Energy: 1.249646319059044
Energy: 0.8784570539286535
Energy: 1.28967558098132
Energy: 0.8784570539260508
Energy: 1.0098712305456015
Energy: 0.8890946081247476
Energy: 1.0365591968984291
Energy: 0.8890946081247476
Energy: 1.3251998926910777
Energy: 0.9387906919123108
Energy: 0.8915356497627588
Energy: 0.9387906918992972
Energy: 1.431714183489826
Energy: 0.9066946919313624
Energy: 1.0675835108414888
Energy: 0.9066946919307117
Energy: 1.5508667781748111
Energy: 0.9260807363153672
Energy: 0.9494736228848825
Energy: 0.9260807363114631
Energy: 1.3460887623947928
Energy: 0.8853845814149616
Energy: 0.8871607875235754
Energy: 0.8853845814156123
Energy: 1.1658038224161127
Energy: 0.887768219917032
Energy: 0.8901151048817711
Energy: 0.8877682199157307
Energy: 1.3552268140486219
Energy: 0.9265779393902709
Energy: 1.2919771504380693
Energy: 0.9265779393909215
Energy: 0.8880486947920131
Energy: 0.890130993689055
Energy: 1.254211788529029
Energy: 0.890130993689055
Energy: 0.8886223449254312
Energy: 0.8863925878694501
Energy: 1.3223338559850024
Energy: 0.8863925878707515
Energy: 0.8947546489635791
Energy: 0.8879131367662657
Energy: 1.4769357033029173
Energy: 0.887913136765615
Energy: 0.9603990619766779
Energy: 0.9372305900880674
Energy: 1.3781863518922608
Energy: 0.9372305900893689
Energy: 1.030070922971667
Energy: 0.8869247793830539
Energy: 1.4293573509763529
Energy: 0.8869247793830539
Energy: 1.0285263449495177
Energy: 1.1275294588191112
Energy: 1.1559633091181445
Energy: 1.1275294588191112
Energy: 1.176440290035777
Energy: 0.8756310919228407
Energy: 1.1550876941510737
Energy: 0.8756310919228407
Energy: 1.2713963130663735
Energy: 0.8766469661607278
Energy: 1.0262569173403466
Energy: 0.8766469661613784
Energy: 1.4176878657090253
Energy: 0.8795963394269444
Energy: 0.8950045736482976
Energy: 0.8795963394282458
Energy: 1.2870330647795403
Energy: 0.8771977197862239
Energy: 0.8791625321762666
Energy: 0.8771977197862239
Energy: 1.3796133654184624
Energy: 0.8786563605000459
Energy: 0.8837556234208043
Energy: 0.8786563605072034
Energy: 1.2856770023758106
Energy: 0.8771957515080778
Energy: 1.249246130923683
Energy: 0.8771957515106804
Energy: 1.033126660511812
Energy: 1.1266025784754683
Energy: 1.0120940767416853
Energy: 1.1266025784748177
Energy: 0.8928658939765647
Energy: 0.8848500635178307
Energy: 1.3278919336629795
Energy: 0.884850063525639
Energy: 1.0667397160500136
Energy: 0.9249778218452201
Energy: 1.508600248928133
Energy: 0.9249778218445694
Energy: 0.9516471247056214
Energy: 0.9255382954153659
Energy: 1.4811666105235
Energy: 0.9255382954147153
Energy: 0.8851406611512915
Energy: 0.8852335775722829
Energy: 1.3217935830189351
Energy: 0.8852335775722829
Energy: 0.8934767650354996
Energy: 0.8872117658572876
Energy: 1.13188656541474
Energy: 0.8872117658585889
Energy: 1.2923635823329684
Energy: 0.9254455502657916
Energy: 1.3531196540572328
Energy: 0.9254455502657916
Energy: 1.2536393257695657
Energy: 0.8892241670437857
Energy: 0.886777386840149
Energy: 0.889224167045087
Energy: 1.321263960038358
Energy: 0.8852534564936723
Energy: 0.8858036953874583
Energy: 0.8852534564936723
Energy: 1.4792431480699801
Energy: 0.8888466054799781
Energy: 0.9329715933068268
Energy: 0.8888466054806288

minimum gb energy = 0.8756283963417345 eV
minimum distance =  2.29692593542457 Angstroms
sigma value = 89


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

Energy: 1.4478409858564933
Energy: 0.8400295927101489
Energy: 0.8112952451706533
Energy: 0.8098641310368719
Energy: 1.3461456006532009
Energy: 1.1566795322561387
Energy: 1.0801400677718682
Energy: 1.1566795322561387
Energy: 0.8008914730291048
Energy: 0.8928810730034514
Energy: 1.0872600523867244
Energy: 0.8928810730034514
Energy: 0.8016646636539205
Energy: 1.0840394460337952
Energy: 1.0893023753964488
Energy: 1.0840394460337952
Energy: 0.8657757462962423
Energy: 0.8082247795227911
Energy: 1.1208440216096456
Energy: 0.8082247795227911
Energy: 0.8102292498268981
Energy: 0.8118094465431779
Energy: 1.1235881699253576
Energy: 0.8118094465431779
Energy: 0.8060168190014941
Energy: 0.8065265000927185
Energy: 1.0894071016354983
Energy: 0.8065265000927185
Energy: 0.8101915354520884
Energy: 0.8107572657806265
Energy: 1.4507677421668723
Energy: 0.8107572657806265
Energy: 1.078627449404459
Energy: 1.158300626633824
Energy: 1.3481002186788769
Energy: 1.158300626633824
Energy: 1.1338546264381328
Energy: 0.894632263865471
Energy: 1.0898730256845965
Energy: 0.894632263865471
Energy: 1.089352078406851
Energy: 0.8965877791618599
Energy: 0.799420382482412
Energy: 0.8965877791618599
Energy: 1.124422664721247
Energy: 1.085919567260697
Energy: 0.8688301023583245
Energy: 1.085919567260697
Energy: 1.1240017767011554
Energy: 0.8092062345280364
Energy: 0.8098329317936042
Energy: 0.8092062345280364
Energy: 1.3525988144406482
Energy: 0.8064739098574049
Energy: 0.8049735427307068
Energy: 0.8064739098574049
Energy: 1.345858545861769
Energy: 0.8087831566550039
Energy: 0.8093682627876948
Energy: 0.8087831566550039

minimum gb energy = 0.799420382482412 eV
minimum distance =  2.31748337513288 Angstroms
sigma value = 13


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

Energy: 1.2816956230318794
Energy: 0.7863870158702475
Energy: 1.1324740952058672
Energy: 0.7767050202822147
Energy: 1.3930688187036513
Energy: 0.7755506574833861
Energy: 0.9258824184799846
Energy: 0.7755506574840998
Energy: 1.2830594188151494
Energy: 0.7717862551613469
Energy: 0.9199395961923011
Energy: 0.7717862551485024
Energy: 1.0121731819272421
Energy: 0.8335913185295767
Energy: 1.1029797762136675
Energy: 0.8335913185267223
Energy: 1.1828480226944058
Energy: 0.8313876984722635
Energy: 1.1805859537387924
Energy: 0.83138769847155
Energy: 0.9237858631701047
Energy: 1.0515105139971854
Energy: 1.1746336753951594
Energy: 1.0515105139964718
Energy: 0.9228196573514327
Energy: 0.7739361680896063
Energy: 1.4210590409028445
Energy: 0.7739361680874655
Energy: 0.9340014281554657
Energy: 0.9273224245740369
Energy: 1.44268987809457
Energy: 0.927322424558338
Energy: 0.782464501861938
Energy: 0.7751026925353612
Energy: 1.4145255296653432
Energy: 0.7751026925382155
Energy: 0.7746989034603168
Energy: 0.7729750583167685
Energy: 1.4135290841915995
Energy: 0.7729750583153414
Energy: 0.7724839787550523
Energy: 0.7788098107310873
Energy: 1.2822109371753088
Energy: 0.7788098107303737
Energy: 1.1744999542437842
Energy: 1.085894843211134
Energy: 1.414034753264666
Energy: 1.085894843211134
Energy: 1.1776341589040995
Energy: 1.049590655514007
Energy: 1.169218842744316
Energy: 1.0495906555147205
Energy: 1.23983854345592
Energy: 0.7717870962444283
Energy: 1.0133632088899693
Energy: 0.7717870962430012
Energy: 1.3823300299331316
Energy: 0.774476776115373
Energy: 1.1519381577733072
Energy: 0.7744767761168002
Energy: 1.380516846054719
Energy: 0.7750587541852875
Energy: 0.782384971924103
Energy: 0.7750587541852875
Energy: 1.318126979946793
Energy: 0.7734932305444361
Energy: 0.7750744379576063
Energy: 0.7734932305472904
Energy: 1.2833056944480747
Energy: 0.7972981888261201
Energy: 0.7926237219022025
Energy: 0.7972981888254065
Energy: 1.434655990310137
Energy: 0.7745833406654763
Energy: 0.943121028262083
Energy: 0.7745833406647628
Energy: 1.3600647330676054
Energy: 0.7711929757637334
Energy: 0.8940181864593718
Energy: 0.7711929758186147
Energy: 1.0102491970888279
Energy: 0.7775629068571366
Energy: 0.9375775660839282
Energy: 0.7775629068542822
Energy: 1.2681505089884433
Energy: 1.0993685661971533
Energy: 1.1730010761242757
Energy: 1.099368566195726
Energy: 0.9258168476059774
Energy: 1.050982274010725
Energy: 1.1807022528067814
Energy: 1.0509822740092982
Energy: 0.774213312285791
Energy: 0.7716168032246183
Energy: 1.417000157985822
Energy: 0.7716168032196233
Energy: 0.9284970235562637
Energy: 0.79466072698299
Energy: 1.3828286164790333
Energy: 0.79466072698299
Energy: 0.7886218806204688
Energy: 0.7936618485148503
Energy: 1.3793615315902223
Energy: 0.7936618485148503
Energy: 0.7724182567592964
Energy: 0.7725753143884392
Energy: 1.410460432977892
Energy: 0.7725753143884392
Energy: 0.7722698866996585
Energy: 0.7763080739250978
Energy: 1.284574086120863
Energy: 0.7763080739243842
Energy: 1.1686673311149822
Energy: 1.0861764088239347
Energy: 1.4347304810313721
Energy: 1.0861764088267891
Energy: 0.8928693525324684
Energy: 1.0496992795477187
Energy: 1.1713400084033154
Energy: 1.0496992795477187
Energy: 1.2331227910967917
Energy: 0.8304554759207325
Energy: 1.0113191377857762
Energy: 0.8304554759193703
Energy: 1.3796020491081227
Energy: 0.7749302933206487
Energy: 1.1725161293884292
Energy: 0.7749302933213623
Energy: 1.3824592056643028
Energy: 0.7744121000008624
Energy: 0.772449450080738
Energy: 0.7744121000022895
Energy: 1.4114708462118102
Energy: 0.771886589064317
Energy: 0.7726286167306079
Energy: 0.771886589064317
Energy: 1.4762957767150238
Energy: 0.7735375042074768
Energy: 0.8066823021603771
Energy: 0.7735375042074768

minimum gb energy = 0.7711929757637334 eV
minimum distance =  2.30647717716074 Angstroms
sigma value = 37


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

Energy: 1.1154492976148436
Energy: 0.7470451930397535
Energy: 0.7080370972873337
Energy: 0.7060502499920038
Energy: 1.4425793826423452
Energy: 0.7046519669753648
Energy: 0.9366035282074378
Energy: 0.704651966987614
Energy: 1.1649662331774286
Energy: 1.0051362788557785
Energy: 0.9420715152443458
Energy: 1.0051362788557785
Energy: 1.1218144008050497
Energy: 0.794371259286035
Energy: 0.9430590043534463
Energy: 0.7943712592835797
Energy: 1.1714574832756017
Energy: 0.7954603299082952
Energy: 0.9136891107596616
Energy: 0.7954603299095229
Energy: 0.9371331460252834
Energy: 0.7055478864582271
Energy: 1.0830484759407835
Energy: 0.7055478864557716
Energy: 0.7060843190498737
Energy: 0.7040091511721995
Energy: 1.30394725641302
Energy: 0.7040091511721995
Energy: 0.7673803984155831
Energy: 0.7049042795424673
Energy: 1.3920301035953389
Energy: 0.7049042795424673
Energy: 0.7054516916324541
Energy: 0.7078027509364284
Energy: 1.3060324380164037
Energy: 0.7078027509376561
Energy: 0.7055921918271042
Energy: 0.7054288682745347
Energy: 1.313337096535991
Energy: 0.7054288682745347
Energy: 0.7080370974652666
Energy: 0.7060502524156517
Energy: 1.1154492976148436
Energy: 0.7470451930397535
Energy: 0.9366035282074378
Energy: 0.7046519669679987
Energy: 1.4425793826423452
Energy: 0.7046519669765926
Energy: 0.9420715152443458
Energy: 1.0051362788557785
Energy: 1.1649662331774286
Energy: 1.0051362788557785
Energy: 0.9430590043325754
Energy: 0.794371259282352
Energy: 1.1218144008050497
Energy: 0.794371259286035
Energy: 0.9136891107596616
Energy: 0.7954603299082952
Energy: 1.1714574832756017
Energy: 0.7954603299095229
Energy: 1.0830484759395556
Energy: 0.7055478864533162
Energy: 0.9371331460252834
Energy: 0.7055478864557716
Energy: 1.30394725641302
Energy: 0.7040091511721995
Energy: 0.7060843190498737
Energy: 0.7040091511734271
Energy: 1.3920301035941114
Energy: 0.7049042795424673
Energy: 0.7673803984155831
Energy: 0.7049042795424673
Energy: 1.3060324380164037
Energy: 0.7078027509364284
Energy: 0.7054516916324541
Energy: 0.7078027509364284
Energy: 1.313337096535991
Energy: 0.7054288682745347
Energy: 0.7055921918271042
Energy: 0.7054288682745347

minimum gb energy = 0.7040091511721995 eV
minimum distance =  2.31513699583965 Angstroms
sigma value = 25


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

Energy: 1.3325306413054652
Energy: 0.6671688529236538
Energy: 0.6358095009404107
Energy: 0.6342289223918632
Energy: 1.49573778942241
Energy: 0.6300565271360754
Energy: 0.8178558370691139
Energy: 0.6300565271370342
Energy: 1.2459016558520275
Energy: 0.6311334642637798
Energy: 0.8158253838534616
Energy: 0.6311334642647384
Energy: 0.9386750633629494
Energy: 0.6302566396655391
Energy: 1.1288646172685444
Energy: 0.6302566396674565
Energy: 1.2565005288339364
Energy: 0.9212599562600153
Energy: 1.1323058828879666
Energy: 0.9212599562600153
Energy: 0.9979640231508309
Energy: 0.6994196158142769
Energy: 1.129599142252734
Energy: 0.6994196158114444
Energy: 0.9914771247425557
Energy: 0.9211531304160384
Energy: 1.255578430613966
Energy: 0.9211531304160384
Energy: 1.022178405447199
Energy: 0.6299973781107193
Energy: 1.1374968477204834
Energy: 0.6299973781107193
Energy: 0.8230373658122457
Energy: 0.6313084221288237
Energy: 1.3742487465233126
Energy: 0.6313084221288237
Energy: 0.8243107509959291
Energy: 0.6303854983050615
Energy: 1.2567354221607208
Energy: 0.6303854983050615
Energy: 0.6305786103938484
Energy: 0.6304189927321344
Energy: 1.134211016574546
Energy: 0.6304189927330931
Energy: 0.6338580038047358
Energy: 0.6301982458741188
Energy: 1.3730463797460504
Energy: 0.6301982458741188
Energy: 0.6299037864017187
Energy: 0.6323576533584797
Energy: 1.4986538429516467
Energy: 0.6323576533565624
Energy: 0.8202175001204624
Energy: 0.6366474499123231
Energy: 1.3345564638929441
Energy: 0.6366474499132819
Energy: 0.8168461995244802
Energy: 0.6293012499541573
Energy: 1.255154563114997
Energy: 0.6293012499541573
Energy: 0.8192974814148272
Energy: 0.6316159542600024
Energy: 1.2485282221272975
Energy: 0.6316159542600024
Energy: 1.1336575103896178
Energy: 0.9261316735956583
Energy: 1.2527200936554808
Energy: 0.9261316735956583
Energy: 0.7838989069183876
Energy: 0.9222630349147024
Energy: 1.2535987906568957
Energy: 0.9222630349156612
Energy: 1.1296457658253771
Energy: 0.7011422464923395
Energy: 0.9963765440023736
Energy: 0.7011422464932981
Energy: 1.372266171219243
Energy: 0.9001981046083217
Energy: 0.9971552123959188
Energy: 0.900198104607363
Energy: 1.135790492111754
Energy: 0.630983551321782
Energy: 0.8236210893359969
Energy: 0.6309835502619691
Energy: 1.3734252472479143
Energy: 0.6305549740232956
Energy: 0.6302079901564337
Energy: 0.630554974022337
Energy: 1.3726755479328483
Energy: 0.6321898122327212
Energy: 0.8278346663061934
Energy: 0.6321898122327212
Energy: 1.136889433191544
Energy: 0.6295559031149982
Energy: 0.6302054753147676
Energy: 0.6295559031149982
Energy: 1.5157711078059564
Energy: 0.6289908063621846
Energy: 0.6299057601591428
Energy: 0.6289908063621846
Energy: 1.2473430790494737
Energy: 0.6312722335589773
Energy: 0.630338939165867
Energy: 0.6312722335561013

minimum gb energy = 0.6289908063621846 eV
minimum distance =  2.31122509865049 Angstroms
sigma value = 41


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

Energy: 1.468668676445003
Energy: 0.6041148347756167
Energy: 0.5802419186882075
Energy: 0.5796561072639161
Energy: 1.5385344635266547
Energy: 0.5728902708892339
Energy: 0.7303703456765839
Energy: 0.5728902708876621
Energy: 1.3124275894642161
Energy: 0.5744411055495172
Energy: 0.7015757840526736
Energy: 0.5744411055306544
Energy: 1.133293809031626
Energy: 0.574820571768602
Energy: 1.0088592789247128
Energy: 0.5748205717599565
Energy: 1.3185360070682162
Energy: 0.8241430807379034
Energy: 0.9908863749137872
Energy: 0.8241430807379034
Energy: 1.0963451136372169
Energy: 0.8289284148892442
Energy: 0.9897135338266216
Energy: 0.8289284148892442
Energy: 1.1014040192977121
Energy: 1.0251915488876906
Energy: 1.209059344934243
Energy: 1.0251915488869046
Energy: 1.107491324880278
Energy: 1.0272305514278437
Energy: 0.977294016592714
Energy: 1.0272305514278437
Energy: 0.825904139166897
Energy: 1.0178762728716841
Energy: 1.2048442380509874
Energy: 1.0178762728716841
Energy: 0.8762495743835748
Energy: 0.8240197354802093
Energy: 1.4196801438790043
Energy: 0.8240197354809953
Energy: 0.700683088346318
Energy: 0.5736686470847093
Energy: 1.3010137256014511
Energy: 0.5736686470705621
Energy: 0.6970519647429895
Energy: 0.5738565139013141
Energy: 1.4206679609672423
Energy: 0.5738565139028858
Energy: 0.7425525520288216
Energy: 0.5748063419195412
Energy: 1.4215255340427
Energy: 0.5748063419156114
Energy: 0.5726291253065743
Energy: 0.5791148726370268
Energy: 1.3011920150172689
Energy: 0.5791148726370268
Energy: 0.5742751862341268
Energy: 0.5731187962652865
Energy: 1.3197898790475582
Energy: 0.5731187962700024
Energy: 0.5720488103005751
Energy: 0.5763626525754447
Energy: 1.314665284209438
Energy: 0.5763626525762306
Energy: 0.7525778563723121
Energy: 0.5762401624251381
Energy: 1.319135701346021
Energy: 0.5762401624259242
Energy: 0.6961159346046187
Energy: 0.5724117598771596
Energy: 1.317359448695567
Energy: 0.5724117598771596
Energy: 0.7340944971429787
Energy: 0.5780127571911255
Energy: 1.1256578600861284
Energy: 0.5780127571895536
Energy: 1.0018285546037922
Energy: 0.8267047185959832
Energy: 1.1246708100043084
Energy: 0.8267047185928393
Energy: 0.9770285628817241
Energy: 0.8312564240676977
Energy: 1.2091538509237374
Energy: 0.8312564241077813
Energy: 0.993089205916866
Energy: 0.8298355215212694
Energy: 1.1177258834287065
Energy: 0.8298355215212694
Energy: 1.205250954005927
Energy: 1.064110019558858
Energy: 1.0958996026264676
Energy: 1.0641100195580722
Energy: 0.9774287673498306
Energy: 0.8305928751483008
Energy: 0.9940544069079154
Energy: 0.8305928751483008
Energy: 1.2109680197774966
Energy: 1.0220741840191843
Energy: 0.8192842452179177
Energy: 1.0220741840191843
Energy: 1.2063941686204434
Energy: 0.5754105834459227
Energy: 0.9906482336031316
Energy: 0.5754105834341332
Energy: 1.2090448738616852
Energy: 0.5768882328758893
Energy: 0.7437554612167222
Energy: 0.5768882328766753
Energy: 1.4248885208334041
Energy: 0.5736778366790074
Energy: 0.6952334392692184
Energy: 0.5736778366782215
Energy: 1.2228390671998257
Energy: 0.5792386432710882
Energy: 0.7519827260917761
Energy: 0.5792386432263246
Energy: 1.2199479975583927
Energy: 0.5770041707752217
Energy: 0.5719119175873701
Energy: 0.5770041707736496
Energy: 1.4214293247354675
Energy: 0.5724153221964098
Energy: 0.5735966409196421
Energy: 0.5724153221971957
Energy: 1.3983506028758121
Energy: 0.5785883816020811
Energy: 0.5721515925235282
Energy: 0.578588381603653

minimum gb energy = 0.5719119175873701 eV
minimum distance =  2.3156903647647 Angstroms
sigma value = 15


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

Energy: 1.2696572475580106
Energy: 0.5542838083375217
Energy: 0.5361292230248247
Energy: 0.5344427639556011
Energy: 1.4629585012769846
Energy: 0.5284034670338479
Energy: 0.6374588582698307
Energy: 0.5284034670331821
Energy: 1.3594851324850774
Energy: 0.5297096706138353
Energy: 0.6379065445879516
Energy: 0.529709670611172
Energy: 1.271322558783956
Energy: 0.531400897710112
Energy: 0.8960488716541081
Energy: 0.5314008977094461
Energy: 1.3656030962843397
Energy: 0.7482900520510506
Energy: 0.869444431216547
Energy: 0.7482900520517165
Energy: 1.1692286252687931
Energy: 0.7562694716450827
Energy: 0.885823602237862
Energy: 0.7562694716450827
Energy: 0.9996510118423569
Energy: 0.7554595611186203
Energy: 1.0822883496606799
Energy: 0.7554595611172888
Energy: 1.1803374015878807
Energy: 0.9741571029993286
Energy: 0.8644552323024836
Energy: 0.9741571029993286
Energy: 0.9813904135516336
Energy: 0.9661830457542331
Energy: 1.0756748642744831
Energy: 0.9661830457535673
Energy: 0.9806264752102741
Energy: 0.9719939619575618
Energy: 1.264408728276043
Energy: 0.9719939619582276
Energy: 0.8762601690665343
Energy: 0.7629958441681318
Energy: 1.1318482874413425
Energy: 0.7629958441687976
Energy: 0.7362672002583417
Energy: 0.9256640244911513
Energy: 1.2642486573432494
Energy: 0.9256640244918171
Energy: 0.8871862920610161
Energy: 0.7500110365780837
Energy: 1.2635687059920642
Energy: 0.7500110365774179
Energy: 0.6673569735066635
Energy: 0.5312492196639617
Energy: 1.132858130286757
Energy: 0.5312492196652933
Energy: 0.6319264358446391
Energy: 0.5304945493252136
Energy: 1.4525319511107189
Energy: 0.5304945493212186
Energy: 0.6777454454104007
Energy: 0.5313149017129292
Energy: 1.2661615985705006
Energy: 0.5313149017096
Energy: 0.545001044299268
Energy: 0.5335495582371622
Energy: 1.2716098859355753
Energy: 0.5335495582371622
Energy: 0.5270649052013041
Energy: 0.5280264047010225
Energy: 1.4563953447085431
Energy: 0.528026404699025
Energy: 0.5426638672925411
Energy: 0.5312305599860959
Energy: 1.2103732602722057
Energy: 0.5312305599840985
Energy: 0.6488094483631135
Energy: 0.5318595779681978
Energy: 1.364477706956557
Energy: 0.5318595779688637
Energy: 0.6295147691259896
Energy: 0.5288985911562386
Energy: 1.3663856527159777
Energy: 0.5288985911535753
Energy: 0.6521407791060191
Energy: 0.5347630789957069
Energy: 1.1772765057995442
Energy: 0.5347630789963725
Energy: 0.8970344900587999
Energy: 0.7489131572520016
Energy: 1.1681054154015378
Energy: 0.7489131572513359
Energy: 0.8655785004717381
Energy: 0.7509744011417645
Energy: 1.2672519739410637
Energy: 0.7509744011417645
Energy: 0.9042269102432453
Energy: 0.7535904440065911
Energy: 0.9936183079440851
Energy: 0.7535904440065911
Energy: 1.075655486697968
Energy: 0.9696114084604636
Energy: 1.2662255677904786
Energy: 0.9696114084604636
Energy: 0.8695792132716577
Energy: 0.9681977649314835
Energy: 1.0775223883838339
Energy: 0.9681977649314835
Energy: 1.0881126136159367
Energy: 0.9754483965590298
Energy: 0.9939049692224866
Energy: 0.9754483965590298
Energy: 1.078936116733094
Energy: 0.7484154040046647
Energy: 1.0804292041439907
Energy: 0.7484154040093254
Energy: 1.0761150130180799
Energy: 0.7496370603424158
Energy: 0.8652449550245727
Energy: 0.7496370603410842
Energy: 1.2734141861341146
Energy: 0.7477954429952579
Energy: 0.7357039696195087
Energy: 0.7477954430079083
Energy: 1.1335168717495196
Energy: 0.5299713306036334
Energy: 0.9065982490585973
Energy: 0.5299713306036334
Energy: 1.264925157747267
Energy: 0.5314347862814593
Energy: 0.6374236638256994
Energy: 0.5314347862781303
Energy: 1.3670964860507981
Energy: 0.5285819197792775
Energy: 0.6539934134480399
Energy: 0.5285819197799433
Energy: 1.4153055560925174
Energy: 0.5375562080312233
Energy: 0.6583923026731059
Energy: 0.5375562080884833
Energy: 1.4516721309347644
Energy: 0.5290319630898339
Energy: 0.5334190019519964
Energy: 0.5290319630898339
Energy: 1.3576264370562645
Energy: 0.529570537241931
Energy: 0.5326475460377694
Energy: 0.529570537241931

minimum gb energy = 0.5270649052013041 eV
minimum distance =  2.31443748003397 Angstroms
sigma value = 85


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

Energy: 1.3571473619557226
Energy: 0.5225770585201593
Energy: 0.47602724761978404
Energy: 0.4761341078487265
Energy: 1.4621128873335663
Energy: 0.47710654750373904
Energy: 0.5721177199881874
Energy: 0.4771065475043165
Energy: 1.2101496463656365
Energy: 0.47763660134710706
Energy: 0.5653828042184667
Energy: 0.4776366013476845
Energy: 1.1128002177612726
Energy: 0.476767869230564
Energy: 0.7992282958868259
Energy: 0.476767869230564
Energy: 1.3828355285729401
Energy: 0.6741140160236143
Energy: 0.796565351959992
Energy: 0.6741140160236143
Energy: 1.039787653962948
Energy: 0.6750350307899402
Energy: 0.8010619067058782
Energy: 0.6750350307893626
Energy: 1.0455144146768358
Energy: 0.47629100392076185
Energy: 0.9593292648471172
Energy: 0.4762910038965348
Energy: 1.2179542686998155
Energy: 0.8774874578632392
Energy: 0.76547948587157
Energy: 0.8774874578632392
Energy: 1.043574158281201
Energy: 0.883005415251754
Energy: 0.9612204326882816
Energy: 0.883005415251754
Energy: 1.042557100446677
Energy: 0.8967568838213337
Energy: 1.127790254601591
Energy: 0.8967568838213337
Energy: 0.9675314453780676
Energy: 0.8651171721971012
Energy: 0.9955782237617841
Energy: 0.8651171721971012
Energy: 0.890686130070416
Energy: 0.8782884318884895
Energy: 1.1284701194269244
Energy: 0.8782884318890669
Energy: 0.9590941333381936
Energy: 0.8793707501640294
Energy: 1.1262955974050664
Energy: 0.8793707501640294
Energy: 0.7700886603910502
Energy: 0.47673103412196954
Energy: 0.9955954098185325
Energy: 0.4767310340965612
Energy: 0.6533798758388976
Energy: 0.6749816039438886
Energy: 1.296956684130551
Energy: 0.6749816039433112
Energy: 0.7686885985621992
Energy: 0.6768758611128393
Energy: 1.1261316736314924
Energy: 0.6768758611134167
Energy: 0.5661440893013104
Energy: 0.47860546708338386
Energy: 1.1293326354691948
Energy: 0.4786054670828064
Energy: 0.5651545640918656
Energy: 0.47614453390386435
Energy: 1.462875281035871
Energy: 0.47614453390444184
Energy: 0.601043957918136
Energy: 0.47552640078791913
Energy: 1.2950082176351077
Energy: 0.47552640078907404
Energy: 0.47563437169082606
Energy: 0.475900254849475
Energy: 1.298904895705187
Energy: 0.4759002548488976
Energy: 0.47650556397049015
Energy: 0.4759848730913708
Energy: 1.4608428163025817
Energy: 0.47598487309079324
Energy: 0.477024609456747
Energy: 0.47548016866688797
Energy: 1.2087916015579903
Energy: 0.47548016866804294
Energy: 0.5670076498169231
Energy: 0.47906145722757065
Energy: 1.3808691177983423
Energy: 0.47906145722699317
Energy: 0.5673466065443046
Energy: 0.47603474901743487
Energy: 1.3846463794959558
Energy: 0.47603474901627996
Energy: 0.5673426322015427
Energy: 0.47892604674280215
Energy: 1.111298859656834
Energy: 0.4789260467410697
Energy: 0.791858133077087
Energy: 0.6747936180144749
Energy: 1.378216307863769
Energy: 0.6747936180144749
Energy: 0.7964817023418
Energy: 0.67508529534829
Energy: 1.2106593269264012
Energy: 0.6750852953477126
Energy: 0.9593611251390083
Energy: 0.4763736963231097
Energy: 1.1136718201205678
Energy: 0.47637369588153533
Energy: 0.9609173322309407
Energy: 0.8760291539307932
Energy: 1.2201180064378416
Energy: 0.8760291539307932
Energy: 0.9590295194726787
Energy: 0.8814745274664972
Energy: 1.0415229697625852
Energy: 0.8814745274664972
Energy: 1.1323061597231978
Energy: 0.8819144902281914
Energy: 0.8785508223228162
Energy: 0.8819144902287688
Energy: 1.01212411909034
Energy: 0.8817908056122625
Energy: 1.1334699954241696
Energy: 0.8817908056122625
Energy: 1.1267642983537753
Energy: 0.8820853147560539
Energy: 0.8890752062478156
Energy: 0.8820853147560539
Energy: 1.2950519219274805
Energy: 0.8763108906177384
Energy: 0.8888441029909
Energy: 0.8763108906177384
Energy: 0.9935036486637402
Energy: 0.6763027225598375
Energy: 0.8976964498527003
Energy: 0.67630272255926
Energy: 1.2945902493083
Energy: 0.6753875242199193
Energy: 0.7691985377910511
Energy: 0.6753875242199193
Energy: 1.2945425779483681
Energy: 0.6751865332493828
Energy: 0.771420139822936
Energy: 0.6751865332488054
Energy: 1.2362047204630546
Energy: 0.47815832716966694
Energy: 0.5660219150757191
Energy: 0.4781583271616087
Energy: 1.4594862573714753
Energy: 0.4763879464421566
Energy: 0.5664840781923632
Energy: 0.4763879464427341
Energy: 1.2960741431837424
Energy: 0.4800911625430401
Energy: 0.5662782383998245
Energy: 0.4800911625430401
Energy: 1.1382890165388566
Energy: 0.4757313943173317
Energy: 0.4758555895498025
Energy: 0.4757313943167542
Energy: 1.3829005397242133
Energy: 0.4754514148331039
Energy: 0.4760651294127689
Energy: 0.4754514148336813
Energy: 1.2126054963557547
Energy: 0.47596751281029925
Energy: 0.47545757590932647
Energy: 0.47596751281145416

minimum gb energy = 0.4754514148331039 eV
minimum distance =  2.31105514536621 Angstroms
sigma value = 113


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

Energy: 0.015462999952214777
Energy: 0.016212757569030407
Energy: 1.109533962995692
Energy: 0.49483243908395697
Energy: 0.0161728853712257
Energy: 0.11151450671487688
Energy: 0.721608120596387
Energy: 0.11151450671445762
Energy: 0.016070200538485416
Energy: 0.11005207597005305
Energy: 0.7201369050269124
Energy: 0.11005207597047233
Energy: 0.017167510832896953
Energy: 0.11139828624697157
Energy: 0.7224777313754059
Energy: 0.1113982862465523
Energy: 0.7213058774124566
Energy: 0.11192645542078974
Energy: 0.7225096450520708
Energy: 0.11192645542078974
Energy: 0.0159695785688406
Energy: 0.1098715542191092
Energy: 0.7202952621302411
Energy: 0.10987155421952846

minimum gb energy = 0.015462999952214777 eV
minimum distance =  2.52121293892583 Angstroms
sigma value = 1