Model name: model_name=EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520024351775646
cohesive_energy=4.422204084913661
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.0272614018 eV

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

Energy: 0.01804654430587622
Energy: 0.01835278817595728
Energy: 0.018121516654090536
Energy: 0.01835278817595728
Energy: 0.01835278817595728
Energy: 1.2945591833174843
Energy: 0.01835278817595728
Energy: 1.2945591833168595
Energy: 0.018121516653465772
Energy: 0.01835278817595728
Energy: 0.01804654430587622
Energy: 0.01835278817595728
Energy: 0.01835278817595728
Energy: 1.2945591833174843
Energy: 0.01835278817595728
Energy: 1.2945591833168595

minimum gb energy = 0.01804654430587622 eV
minimum distance =  2.46574424914377 Angstroms
sigma value = 1


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

Energy: 1.3994984527574406
Energy: 1.4421901434389204
Energy: 1.2302030595170128
Energy: 1.4421901434373157
Energy: 1.3113401055979628
Energy: 1.3961154246560896
Energy: 1.3164531638499564
Energy: 1.3961154246568919
Energy: 1.2635213057773496
Energy: 1.425791107157084
Energy: 1.2914639635610867
Energy: 1.4257911071562814
Energy: 1.2785899508602703
Energy: 1.348760863015674
Energy: 1.279397620021467
Energy: 1.3487608630148715
Energy: 1.2821632650927115
Energy: 1.4476360528102257
Energy: 1.2866158726854817
Energy: 1.4476360528094234
Energy: 1.2514674645006154
Energy: 1.4102865786658947
Energy: 1.2397525199104267
Energy: 1.4102865786658947
Energy: 1.3130964502753653
Energy: 1.423315066600999
Energy: 1.2535416318264068
Energy: 1.423315066600999
Energy: 1.1752600521349337
Energy: 1.4477243781249698
Energy: 1.2130790354555778
Energy: 1.4477243781249698
Energy: 1.2793117899290154
Energy: 1.598685398678267
Energy: 1.3202632871028834
Energy: 1.5986853986798715
Energy: 1.2235828511888658
Energy: 1.4244799979119305
Energy: 1.1583832389720379
Energy: 1.424479997911128
Energy: 1.3206286214347143
Energy: 1.3953990249543178
Energy: 1.279549730788676
Energy: 1.3953990249543178
Energy: 1.2654200150965769
Energy: 1.4476019829469686
Energy: 1.2463444796697463
Energy: 1.4476019829485731
Energy: 1.3147129505633621
Energy: 1.4194462681908115
Energy: 1.3130109155018725
Energy: 1.4194462681916138
Energy: 1.2948405012349078
Energy: 1.4280493956456812
Energy: 1.2590633331298446
Energy: 1.4280493956456812
Energy: 1.303117660207623
Energy: 1.442988519527332
Energy: 1.291124139884453
Energy: 1.4429885195241228
Energy: 1.292005924943605
Energy: 1.4424759843223254
Energy: 1.3103666964091853
Energy: 1.4424759843231276
Energy: 1.2911505874698466
Energy: 1.4256633837583517
Energy: 1.2192883294581596
Energy: 1.4256633837583517
Energy: 1.316499056165085
Energy: 1.3778543420674985
Energy: 1.3118802520115505
Energy: 1.3778543420674985
Energy: 1.1975695084628661
Energy: 1.4480559672731188
Energy: 1.2450759490809038
Energy: 1.4480559672723166
Energy: 1.3350224441411838
Energy: 1.296303567540858
Energy: 1.2823487039565746
Energy: 1.296303567540858
Energy: 1.22797231548822
Energy: 1.4256578183734843
Energy: 1.1899428278615967
Energy: 1.42565781837188
Energy: 1.2792626412660384
Energy: 1.3031065250332237
Energy: 1.2933168741655556
Energy: 1.3031065250332237
Energy: 1.2870388290960626
Energy: 1.447863573013513
Energy: 1.227677775515238
Energy: 1.4478635730143152
Energy: 1.269804268731443
Energy: 1.4212453595188215
Energy: 1.2509130383542322
Energy: 1.4212453595180192
Energy: 1.2531850537680704
Energy: 1.39981865485615
Energy: 1.3153394784068142
Energy: 1.3998186548545455
Energy: 1.280807379625612
Energy: 1.4490359281212857
Energy: 1.2444740096735762
Energy: 1.4490359281204832
Energy: 1.3044639117236656
Energy: 1.373404074687195
Energy: 1.2792330477225617
Energy: 1.373404074684788
Energy: 1.2341844365473331
Energy: 1.4215061453067552
Energy: 1.3677355735990457
Energy: 1.4215061453083597
Energy: 1.3104957535553101
Energy: 1.3662412173887934
Energy: 1.291307480998901
Energy: 1.366241217387189
Energy: 1.3178151457053213
Energy: 1.4438993814185306
Energy: 1.2709678788982954
Energy: 1.4438993814185306
Energy: 1.3058256427427246
Energy: 1.4271210795960712
Energy: 1.3145829430665683
Energy: 1.4271210795960712
Energy: 1.2704371806833574
Energy: 1.4208595844171579
Energy: 1.2948065869296532
Energy: 1.4208595844179601
Energy: 1.2819305860840462
Energy: 1.4543893819197986
Energy: 1.2817038392375886
Energy: 1.4543893819206013

minimum gb energy = 1.1583832389720379 eV
minimum distance =  2.19150843437552 Angstroms
sigma value = 1


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

Energy: 1.48326431807771
Energy: 1.5371053630539897
Energy: 1.2934002874430284
Energy: 1.5371053630503722
Energy: 1.3548519731379585
Energy: 1.4705745541188042
Energy: 1.371007263497887
Energy: 1.4705745541133157
Energy: 1.2961632212318297
Energy: 1.5389219923587414
Energy: 1.3474137691450394
Energy: 1.5389219923605708
Energy: 1.3104248765935174
Energy: 1.3336548701054756
Energy: 1.3014787527936496
Energy: 1.333654870107305
Energy: 1.3104157018110434
Energy: 1.5050814466172282
Energy: 1.3458136749388285
Energy: 1.5050814466190579
Energy: 1.371070453302907
Energy: 1.5053305225434461
Energy: 1.3079916762105106
Energy: 1.5053305225443605
Energy: 1.3473983867069024
Energy: 1.3342778379201716
Energy: 1.346068777888515
Energy: 1.334277837922001
Energy: 1.2102694482885956
Energy: 1.5394235747583738
Energy: 1.2540679938433494
Energy: 1.539423574761118
Energy: 1.3247970843150756
Energy: 1.3745365539220737
Energy: 1.3940765734413536
Energy: 1.374536553923903
Energy: 1.294224510600891
Energy: 1.5391186380532091
Energy: 1.2947280769815914
Energy: 1.539118638046806
Energy: 1.347348651277736
Energy: 1.4464796556007349
Energy: 1.3760276199972872
Energy: 1.4464796556007349
Energy: 1.2683568940627796
Energy: 1.5204626932629224
Energy: 1.3470836111495028
Energy: 1.5204626932638368
Energy: 1.368262893962178
Energy: 1.500581236993209
Energy: 1.3447404863376269
Energy: 1.5005812369913791
Energy: 1.3682827263294468
Energy: 1.5006045810649344
Energy: 1.3675742991414854
Energy: 1.5006045810676374
Energy: 1.2682523883947918
Energy: 1.5204593627319782
Energy: 1.3447527644690451
Energy: 1.520459362736552
Energy: 1.3473153105459321
Energy: 1.446487785824003
Energy: 1.3453821205010392
Energy: 1.4464877858276617
Energy: 1.2942455199000222
Energy: 1.5390891089786578
Energy: 1.2570443160944051
Energy: 1.5390891089777428
Energy: 1.3248313047625586
Energy: 1.3747234359360878
Energy: 1.393916904383596
Energy: 1.374723435937917
Energy: 1.2102805134241397
Energy: 1.5392393852209247
Energy: 1.253334814873083
Energy: 1.5392393852245838
Energy: 1.3475713584351108
Energy: 1.3342720648002222
Energy: 1.302425011555609
Energy: 1.3342720648020516
Energy: 1.3707680148093215
Energy: 1.5054259600357922
Energy: 1.296377930308785
Energy: 1.5054259600412807
Energy: 1.3105901565509648
Energy: 1.5050769016154741
Energy: 1.336797796251058
Energy: 1.5050769016173038
Energy: 1.3103615979764414
Energy: 1.333589801060192
Energy: 1.346019568277458
Energy: 1.3335898010638512
Energy: 1.2962443603611127
Energy: 1.538917297737151
Energy: 1.3445827570973983
Energy: 1.538917297738066
Energy: 1.3549236648476986
Energy: 1.47053874188218
Energy: 1.3708361822681092
Energy: 1.47053874188218
Energy: 1.48326431807771
Energy: 1.5371053630539897
Energy: 1.3817790479214724
Energy: 1.5371053630503722
Energy: 1.354851973138873
Energy: 1.4705745541178896
Energy: 1.371007263497887
Energy: 1.4705745541133157
Energy: 1.2961632212327445
Energy: 1.5389219923587414
Energy: 1.3586281947785193
Energy: 1.5389219923605708
Energy: 1.3104248765916882
Energy: 1.333654870104561
Energy: 1.2934441347434398
Energy: 1.333654870107305

minimum gb energy = 1.2102694482885956 eV
minimum distance =  2.15902695573415 Angstroms
sigma value = 25


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

Energy: 1.4308803501931622
Energy: 1.6046252797835348
Energy: 1.3628257886464346
Energy: 1.6046252797824716
Energy: 1.4499068341899337
Energy: 1.4995063648331846
Energy: 1.397713950201779
Energy: 1.4995063648331846
Energy: 1.3683671941403666
Energy: 1.66244279229295
Energy: 1.3843038891910089
Energy: 1.66244279229295
Energy: 1.361003571074355
Energy: 1.416048651755973
Energy: 1.357473404619243
Energy: 1.416048651755973
Energy: 1.3579788247624014
Energy: 1.604965873144676
Energy: 1.3873169987401337
Energy: 1.6049658731436127
Energy: 1.458819310002842
Energy: 1.6608183024179317
Energy: 1.4459164903994777
Energy: 1.6608183024179317
Energy: 1.4454345870540046
Energy: 1.3962307888745282
Energy: 1.4092260833645018
Energy: 1.3962307888734649
Energy: 1.4802348879462404
Energy: 1.6116009945242495
Energy: 1.303047475940112
Energy: 1.6116009945242495
Energy: 1.4085732910700375
Energy: 1.5179871201953132
Energy: 1.4452683802811495
Energy: 1.5179871201963284
Energy: 1.383893361957738
Energy: 1.6611196294823742
Energy: 1.339490700617866
Energy: 1.6611196294834376
Energy: 1.4228568867029705
Energy: 1.601833313395107
Energy: 1.4067194859844938
Energy: 1.6018333133940437
Energy: 1.3987013430675188
Energy: 1.6040989586835341
Energy: 1.4068935559681228
Energy: 1.6040989586835341
Energy: 1.3843104277545968
Energy: 1.536265730303112
Energy: 1.339133471434356
Energy: 1.536265730303112
Energy: 1.4074254048104187
Energy: 1.4781349835837863
Energy: 1.4456976171005018
Energy: 1.4781349835848496
Energy: 1.3221497266286153
Energy: 1.6130699295584514
Energy: 1.3014860592917834
Energy: 1.6130699295584514
Energy: 1.4440263103783122
Energy: 1.3980282927765744
Energy: 1.3577113840342503
Energy: 1.398028292777638
Energy: 1.2666644210277098
Energy: 1.662479438998949
Energy: 1.2665416787270565
Energy: 1.662479438998949
Energy: 1.3571615566443893
Energy: 1.5373341836326284
Energy: 1.4202422348096013
Energy: 1.5373341836326284
Energy: 1.3263323420400794
Energy: 1.5413770600526766
Energy: 1.3580255131506047
Energy: 1.54137706005374
Energy: 1.4459950412300033
Energy: 1.660463022835495
Energy: 1.3990841842063932
Energy: 1.6604630228365584
Energy: 1.4156971589056988
Energy: 1.5023365307287366
Energy: 1.3988657108831994
Energy: 1.5023365307298
Energy: 1.4331112144793676
Energy: 1.6052353029943085
Energy: 1.4331845428019934
Energy: 1.605235302995372
Energy: 1.4495112292600978
Energy: 1.5373972571165075
Energy: 1.407166757633289
Energy: 1.5373972571165075
Energy: 1.3669049185503668
Energy: 1.6611156831304237
Energy: 1.383985800293045
Energy: 1.661115683127234
Energy: 1.407251032530179
Energy: 1.4152198619743805
Energy: 1.358081093483387
Energy: 1.4152198619733176

minimum gb energy = 1.2665416787270565 eV
minimum distance =  2.16088344483615 Angstroms
sigma value = 9


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

Energy: 1.4988435407353367
Energy: 1.4985203404335115
Energy: 1.438213435766127
Energy: 1.4985203404335115
Energy: 1.4658801729254134
Energy: 1.6009530365945952
Energy: 1.4859024791175064
Energy: 1.6009530365933264
Energy: 1.4511460583015778
Energy: 1.5062026188482027
Energy: 1.4096318007694864
Energy: 1.5062026188456659
Energy: 1.509264113086739
Energy: 1.490975823221165
Energy: 1.3921805880855334
Energy: 1.490975823218628
Energy: 1.5639411449869431
Energy: 1.60124936086623
Energy: 1.4684405070541893
Energy: 1.6012493608700353
Energy: 1.322662420844476
Energy: 1.5053721701467082
Energy: 1.5008500054681346
Energy: 1.5053721701467082
Energy: 1.4984805899935147
Energy: 1.3922531384239372
Energy: 1.392829814713875
Energy: 1.3922531384214
Energy: 1.437381552500896
Energy: 1.5055077735620777
Energy: 1.3770299042672751
Energy: 1.5055077735633462
Energy: 1.4987763946590937
Energy: 1.6012545516101464
Energy: 1.5352875532787529
Energy: 1.6012545516101464
Energy: 1.5072664725413583
Energy: 1.4983413169929054
Energy: 1.3920551820169251
Energy: 1.498341316991637
Energy: 1.4127384669683192
Energy: 1.5895927941226051
Energy: 1.4092130507563525
Energy: 1.5895927941238737
Energy: 1.507817538469667
Energy: 1.579946946888352
Energy: 1.3918962920511644
Energy: 1.5799469468870833
Energy: 1.3224864003372425
Energy: 1.5059087850108066
Energy: 1.3900993250264841
Energy: 1.5059087850108066
Energy: 1.4919674531592086
Energy: 1.504658297588904
Energy: 1.5023081944973244
Energy: 1.5046582975914409
Energy: 1.3224930516443254
Energy: 1.5058996512297154
Energy: 1.4378579906277102
Energy: 1.5058996512297154
Energy: 1.5077313066411977
Energy: 1.5799617952556557
Energy: 1.3917893378329296
Energy: 1.5799617952556557
Energy: 1.4128781579637475
Energy: 1.5895712426472761
Energy: 1.4670855088051495
Energy: 1.5895712426460076
Energy: 1.5072637631898957
Energy: 1.4983098097374896
Energy: 1.3919987051550966
Energy: 1.4983098097387584
Energy: 1.4988323721121593
Energy: 1.6012812529835607
Energy: 1.4859823205380778
Energy: 1.6012812529810236
Energy: 1.437375804689235
Energy: 1.5054151047854503
Energy: 1.3770452276745904
Energy: 1.5054151047854503
Energy: 1.498461889989464
Energy: 1.392230310868869
Energy: 1.3928046849408355
Energy: 1.3922303108714058

minimum gb energy = 1.3224864003372425 eV
minimum distance =  2.28674700577532 Angstroms
sigma value = 25


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

Energy: 1.442139279870742
Energy: 1.7802211969328776
Energy: 1.5223677131362736
Energy: 1.7802211969344464
Energy: 1.407692145634302
Energy: 1.6098248843936662
Energy: 1.3782486068546562
Energy: 1.6098248843936662
Energy: 1.3783853218046185
Energy: 1.741627496804623
Energy: 1.3783312906388514
Energy: 1.7416274968030543
Energy: 1.440590542462819
Energy: 1.5989027357286345
Energy: 1.5491083082763542
Energy: 1.5989027357286345
Energy: 1.5479544256206437
Energy: 1.4066396790553883
Energy: 1.502491884872997
Energy: 1.4066396790538194
Energy: 1.378511865278791
Energy: 1.6464362598644697
Energy: 1.3784329534028983
Energy: 1.6464362598644697
Energy: 1.4477973627675982
Energy: 1.601600366879548
Energy: 1.3777834226230683
Energy: 1.601600366879548
Energy: 1.5302160207206972
Energy: 1.3788500902843195
Energy: 1.4421165553873563
Energy: 1.3788500902858885
Energy: 1.3784219407593041
Energy: 1.5150098097421512
Energy: 1.4086044046596071
Energy: 1.5150098097421512
Energy: 1.613684364254705
Energy: 1.6475169614799938
Energy: 1.3779848236130507
Energy: 1.6475169614815626
Energy: 1.4616238686315999
Energy: 1.7050948446567142
Energy: 1.6943470117533466
Energy: 1.7050948446567142
Energy: 1.3778385638869348
Energy: 1.543666619689931
Energy: 1.6161861315915447
Energy: 1.5436666196883622
Energy: 1.5222428919599034
Energy: 1.5176743155600834
Energy: 1.3781050078003176
Energy: 1.5176743155600834
Energy: 1.3778867108079742
Energy: 1.4884789995556227
Energy: 1.4406788977610892
Energy: 1.4884789995556227
Energy: 1.605672439939732
Energy: 1.6093804520848713
Energy: 1.5305520714337464
Energy: 1.60938045208644
Energy: 1.4069487368143725
Energy: 1.546338409273749
Energy: 1.3783244658248015
Energy: 1.546338409273749
Energy: 1.3779768222304372
Energy: 1.5261748551596805
Energy: 1.614760528812636
Energy: 1.5261748551596805

minimum gb energy = 1.3777834226230683 eV
minimum distance =  2.27080249866262 Angstroms
sigma value = 17


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

Energy: 1.5728825528451866
Energy: 1.571279878111007
Energy: 1.7026338163326724
Energy: 1.571279878111007
Energy: 1.6099562997831882
Energy: 1.532483552189712
Energy: 1.425850670714156
Energy: 1.5324835521914888
Energy: 1.583327619690607
Energy: 1.5546694276719362
Energy: 1.4254278911900922
Energy: 1.5546694276728246
Energy: 1.4281380235023398
Energy: 1.692233087816432
Energy: 1.5308359376072422
Energy: 1.6922330878137666
Energy: 1.637251866873684
Energy: 1.537309751363159
Energy: 1.4964964145183997
Energy: 1.5373097513640475
Energy: 1.4540467859730812
Energy: 1.5828330322671487
Energy: 1.5675497726978664
Energy: 1.5828330322689255
Energy: 1.4278184859822127
Energy: 1.5971148007436375
Energy: 1.5130870195002961
Energy: 1.5971148007436375
Energy: 1.5667462028249306
Energy: 1.5823416916357609
Energy: 1.4514296797077815
Energy: 1.582341691637538
Energy: 1.4527683695191556
Energy: 1.5957677540258057
Energy: 1.620508808729615
Energy: 1.5957677540258057
Energy: 1.7198321109558798
Energy: 1.5513407355041364
Energy: 1.4265229875254994
Energy: 1.5513407355032482
Energy: 1.431758970333262
Energy: 1.5980457070320402
Energy: 1.5868548997338114
Energy: 1.5980457070329286
Energy: 1.452256736058756
Energy: 1.5943055502229506
Energy: 1.4522515424769282
Energy: 1.5943055502211736
Energy: 1.7121022960407004
Energy: 1.5714577676671528
Energy: 1.5747314121528027
Energy: 1.5714577676671528
Energy: 1.4262199125857256
Energy: 1.6142263100324838
Energy: 1.612347803500206
Energy: 1.6142263100333725
Energy: 1.556522009579163
Energy: 1.5939058689004248
Energy: 1.4547294505430715
Energy: 1.5939058689013132
Energy: 1.5836429571567958
Energy: 1.5824400376800603
Energy: 1.566965599650281
Energy: 1.5824400376800603
Energy: 1.51352685449488
Energy: 1.6445811531925139
Energy: 1.726367964620469
Energy: 1.6445811531907368
Energy: 1.5590490103701118
Energy: 1.5544149401038185
Energy: 1.4538686404855963
Energy: 1.554414940104707
Energy: 1.5000835524953393
Energy: 1.6488503841922082
Energy: 1.5055765795111495
Energy: 1.64885038419132
Energy: 1.5150639356353406
Energy: 1.6908543519718702
Energy: 1.4282231495412938
Energy: 1.690854351973647
Energy: 1.4974255035633506
Energy: 1.5806133405239227
Energy: 1.5831780002868283
Energy: 1.5806133405239227
Energy: 1.5129745591462453
Energy: 1.682633452019628
Energy: 1.719239666490193
Energy: 1.682633452021405
Energy: 1.5882468534856273
Energy: 1.5988687306477385
Energy: 1.4257675466479403
Energy: 1.5988687306477385
Energy: 1.537668115406949
Energy: 1.596185693118305
Energy: 1.5970073521981223
Energy: 1.596185693118305
Energy: 1.5374722826467104
Energy: 1.5543405225802456
Energy: 1.5959630072754938
Energy: 1.5543405225802456
Energy: 1.6695600934463564
Energy: 1.603207022494929
Energy: 1.4273954560045365
Energy: 1.6032070224958175
Energy: 1.5155608207368845
Energy: 1.618719120065127
Energy: 1.7659483593402026
Energy: 1.6187191200642386
Energy: 1.5666663151136753
Energy: 1.5824106293626803
Energy: 1.5846796094833462
Energy: 1.5824106293626803
Energy: 1.726043263083548
Energy: 1.6910519643997985
Energy: 1.4280340723604537
Energy: 1.6910519643997985
Energy: 1.4513968363409122
Energy: 1.6469251456484875
Energy: 1.6976834841394703
Energy: 1.6469251456493756

minimum gb energy = 1.4254278911900922 eV
minimum distance =  2.14033588013566 Angstroms
sigma value = 53


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

Energy: 1.3765929871411158
Energy: 1.375955970212378
Energy: 1.574285637370561
Energy: 1.375955970212378
Energy: 1.6407861035226268
Energy: 1.54857291112145
Energy: 1.5727657337049328
Energy: 1.54857291112145
Energy: 1.4051389473977416
Energy: 1.3760120886844012
Energy: 1.5760646183097464
Energy: 1.3760120886844012
Energy: 1.405379575395603
Energy: 1.3760280436523917
Energy: 1.4627912699116967
Energy: 1.3760280436523917
Energy: 1.6408304633639195
Energy: 1.548285211658403
Energy: 1.6394228842445817
Energy: 1.5482852116604482
Energy: 1.3765929871390703
Energy: 1.375955970210333
Energy: 1.6785844552296962
Energy: 1.375955970212378
Energy: 1.6407861035267175
Energy: 1.5485729111234954
Energy: 1.570648232112616
Energy: 1.5485729111255409
Energy: 1.4051389471748836
Energy: 1.3760120886844012
Energy: 1.576064618305656
Energy: 1.3760120886844012
Energy: 1.4053795709262638
Energy: 1.376028043654437
Energy: 1.4834291845161551
Energy: 1.3760280436523917
Energy: 1.6408304633659652
Energy: 1.5482852116563575
Energy: 1.6737519244908714
Energy: 1.548285211658403
Energy: 1.3765929871370253
Energy: 1.375955970212378
Energy: 1.7933540839937272
Energy: 1.375955970212378
Energy: 1.6407861035205813
Energy: 1.54857291112145
Energy: 1.5706507438812485
Energy: 1.5485729111234954
Energy: 1.4051389483361716
Energy: 1.3760120886844012
Energy: 1.5760646183097464
Energy: 1.3760120886844012

minimum gb energy = 1.375955970210333 eV
minimum distance =  2.24947279122278 Angstroms
sigma value = 9


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

Energy: 1.494842741826787
Energy: 1.6564599962132218
Energy: 1.845836656539448
Energy: 1.6564599962132218
Energy: 1.7349502626698161
Energy: 1.5721689144471906
Energy: 1.5059188782904105
Energy: 1.5721689144449198
Energy: 1.4878928844941526
Energy: 1.4746204024119922
Energy: 1.482145782064871
Energy: 1.4746204024127492
Energy: 1.6273503623154106
Energy: 1.7321660693607115
Energy: 1.504255719897681
Energy: 1.7321660693591974
Energy: 1.6512235304873908
Energy: 1.564580860840946
Energy: 1.505039330553376
Energy: 1.564580860840946
Energy: 1.474874820802751
Energy: 1.473757205909533
Energy: 1.6195163906819388
Energy: 1.473757205909533
Energy: 1.8573216133782358
Energy: 1.5578204336476902
Energy: 1.5062643677115608
Energy: 1.5578204336484471
Energy: 1.5057279608542689
Energy: 1.7371904605348418
Energy: 1.651235487897134
Energy: 1.737190460536356
Energy: 1.491465678172636
Energy: 1.7469778285178512
Energy: 1.4736525526235702
Energy: 1.7469778285170945
Energy: 1.4966402561233474
Energy: 1.5700975024198016
Energy: 1.5079020713514948
Energy: 1.5700975024228296
Energy: 1.5081569520380782
Energy: 1.7320149156908302
Energy: 1.8049000095875471
Energy: 1.7320149156931013
Energy: 1.6748358066483484
Energy: 1.6804586987486883
Energy: 1.4972932997662323
Energy: 1.6804586987494452
Energy: 1.4914419333567812
Energy: 1.573360862909193
Energy: 1.7498592593354392
Energy: 1.573360862909193
Energy: 1.6324375445638148
Energy: 1.656266688248264
Energy: 1.4925292432506598
Energy: 1.6562666882505352
Energy: 1.5099481082900175
Energy: 1.6656388365562795
Energy: 1.661002454355412
Energy: 1.6656388365562795
Energy: 1.4958083992388655
Energy: 1.7451048247289818
Energy: 1.6251844118809267
Energy: 1.7451048247312528
Energy: 1.5920597972447597
Energy: 1.6655408851261428
Energy: 1.5098647301113972
Energy: 1.6655408851268996
Energy: 1.5120391548287482
Energy: 1.5577559659989444
Energy: 1.6957030567647489
Energy: 1.5577559659974305
Energy: 1.6863612948192916
Energy: 1.5712602675513778
Energy: 1.478117044803018
Energy: 1.5712602675506209
Energy: 1.495554394089582
Energy: 1.5922444000603517
Energy: 1.616852845068367
Energy: 1.5922444000595946
Energy: 1.62634547495846
Energy: 1.7306487254570952
Energy: 1.6301425774225098
Energy: 1.7306487254563385
Energy: 1.6161634820126187
Energy: 1.6581937454294313
Energy: 1.5033034535833796
Energy: 1.6581937454279174
Energy: 1.4737385932458333
Energy: 1.6492739230035476
Energy: 1.4912315220956243
Energy: 1.6492739230050617
Energy: 1.8377486410935358
Energy: 1.5802528832969802
Energy: 1.504839869623708
Energy: 1.5802528832992515
Energy: 1.5061156005024139
Energy: 1.6958161700650798
Energy: 1.7791520887698928
Energy: 1.6958161700650798
Energy: 1.5555362390993819
Energy: 1.4742893568119073
Energy: 1.4883976101107412
Energy: 1.4742893568126643
Energy: 1.6006077723320904
Energy: 1.671423936124086
Energy: 1.6264423623483881
Energy: 1.671423936124086
Energy: 1.4929573987416922
Energy: 1.734077950466089
Energy: 1.6271536693138315
Energy: 1.7340779504653319
Energy: 1.5465613425265932
Energy: 1.4740689597395022
Energy: 1.4874172569073827
Energy: 1.4740689597402594
Energy: 1.5058109214751587
Energy: 1.6959149707263221
Energy: 1.7783855936849786
Energy: 1.6959149707263221
Energy: 1.7420377502489586
Energy: 1.579301565119789
Energy: 1.503594794956895
Energy: 1.579301565118275
Energy: 1.4738857930198275
Energy: 1.5599047090917184
Energy: 1.4886345404880228
Energy: 1.5599047090902045
Energy: 1.5069054927328407
Energy: 1.6533562529540757
Energy: 1.48830335475157
Energy: 1.6533562529540757
Energy: 1.6261693265796757
Energy: 1.7318237075734855
Energy: 1.6270057013499315
Energy: 1.7318237075749994
Energy: 1.4937975845935254
Energy: 1.7250931672647911
Energy: 1.8590315452849735
Energy: 1.725093167265548

minimum gb energy = 1.4736525526235702 eV
minimum distance =  2.18084390896835 Angstroms
sigma value = 73


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

Energy: 1.4735713796306444
Energy: 1.4729658119980575
Energy: 1.8454803918149583
Energy: 1.4729658119980575
Energy: 1.5954440763339806
Energy: 1.6681698743112026
Energy: 1.5270450603404728
Energy: 1.6681698743112026
Energy: 1.5258658914015522
Energy: 1.6262208453019826
Energy: 1.4844949913378036
Energy: 1.6262208453019826
Energy: 1.4972150086803588
Energy: 1.6221586367028404
Energy: 1.527534942201561
Energy: 1.6221586367028404
Energy: 1.4958084023682632
Energy: 1.5932262958242078
Energy: 1.5357160935583885
Energy: 1.5932262958242078
Energy: 1.5363338218505314
Energy: 1.5160828571672897
Energy: 1.766706280328693
Energy: 1.5160828571684908
Energy: 1.8573884027891499
Energy: 1.7872780615898027
Energy: 1.528400301258365
Energy: 1.7872780615898027
Energy: 1.4977543030860012
Energy: 1.4727761982694891
Energy: 1.7994895016942352
Energy: 1.4727761982706902
Energy: 1.7691502395662704
Energy: 1.4735261218624385
Energy: 1.472885074144338
Energy: 1.4735261218624385
Energy: 1.5259969470488692
Energy: 1.6048457957946833
Energy: 1.5264283049768104
Energy: 1.6048457957946833
Energy: 1.4951869237778201
Energy: 1.6274942792619989
Energy: 1.7673967400745136
Energy: 1.6274942792619989
Energy: 1.6566180969883986
Energy: 1.6535561812213746
Energy: 1.5007169544421572
Energy: 1.6535561812201736
Energy: 1.53620614804397
Energy: 1.5883538085970452
Energy: 1.638385667065742
Energy: 1.5883538085982465
Energy: 1.8247596452773607
Energy: 1.5886285353856957
Energy: 1.536169150803971
Energy: 1.5886285353856957
Energy: 1.5010528048246976
Energy: 1.577307745394084
Energy: 1.6844188744222897
Energy: 1.577307745394084
Energy: 1.7806040858484957
Energy: 1.4730829583287215
Energy: 1.497879175975088
Energy: 1.4730829583287215
Energy: 1.5274212477918951
Energy: 1.472926352124289
Energy: 1.5259404455317562
Energy: 1.472926352123088
Energy: 1.472621596558821
Energy: 1.4741618061038253
Energy: 1.5364948921966675
Energy: 1.4741618061038253
Energy: 1.636225282552948
Energy: 1.4727536530465715
Energy: 1.4946559280608072
Energy: 1.4727536530465715
Energy: 1.5271969813128474
Energy: 1.5767295049315575
Energy: 1.8563025524555825
Energy: 1.5767295049303565
Energy: 1.7768224878801233
Energy: 1.5067556903846455
Energy: 1.53758121709535
Energy: 1.5067556903846455
Energy: 1.5271322725420438
Energy: 1.590076518208446
Energy: 1.6385768471125317
Energy: 1.590076518208446

minimum gb energy = 1.472621596558821 eV
minimum distance =  2.21255994510921 Angstroms
sigma value = 7


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

Energy: 1.4992293246667057
Energy: 1.4988151100827154
Energy: 1.8393752163808552
Energy: 1.498815110081017
Energy: 1.826479925647235
Energy: 1.556322649164166
Energy: 1.5274574553650124
Energy: 1.556322649172659
Energy: 1.4928002519347416
Energy: 1.697560615334257
Energy: 1.523827999590343
Energy: 1.697560615336805
Energy: 1.5495659911882333
Energy: 1.6037759598135601
Energy: 1.5435342526207592
Energy: 1.603775959818656
Energy: 1.5086878879458092
Energy: 1.594104318079675
Energy: 1.4958049323549054
Energy: 1.5941043180813739
Energy: 1.4972525600122009
Energy: 1.4992600770572286
Energy: 1.7390413305585433
Energy: 1.4992600770546807
Energy: 1.6708134105477686
Energy: 1.6963645770283196
Energy: 1.553729104443884
Energy: 1.6963645770300182
Energy: 1.497047031842106
Energy: 1.4999044789697147
Energy: 1.8016876537607698
Energy: 1.4999044789739615
Energy: 1.670812642860668
Energy: 1.5872012313770933
Energy: 1.5178937019673442
Energy: 1.5872012313804909
Energy: 1.5090432743077136
Energy: 1.6042601663064606
Energy: 1.618573386358872
Energy: 1.6042601663056115
Energy: 1.533483965345392
Energy: 1.7018931085544837
Energy: 1.5644872451487295
Energy: 1.7018931085527849
Energy: 1.5002380197924061
Energy: 1.591573897688791
Energy: 1.5806149647156602
Energy: 1.5915738976862432
Energy: 1.4988796322508944
Energy: 1.5004081023353573
Energy: 1.5642980675153195
Energy: 1.50040810233196
Energy: 1.5226946895277618
Energy: 1.4892668411262302
Energy: 1.5600653849757344
Energy: 1.489266841133874
Energy: 1.5061429938036706
Energy: 1.733150800786688
Energy: 1.718152796992569
Energy: 1.7331508007909346
Energy: 1.839620440370969
Energy: 1.4883797990199719
Energy: 1.5138684362990202
Energy: 1.4883797990242187
Energy: 1.5299494140841938
Energy: 1.6181533270438215
Energy: 1.7174500817061977
Energy: 1.6181533270412736
Energy: 1.4967466223441466
Energy: 1.6975074978381048
Energy: 1.561856217270757
Energy: 1.6975074978330087
Energy: 1.4921835902033014
Energy: 1.6192173613523224
Energy: 1.5630713074426132
Energy: 1.6192173613531722
Energy: 1.508626917843777
Energy: 1.5921986826652261
Energy: 1.5381836438147805
Energy: 1.5921986826626784
Energy: 1.5454986415906462
Energy: 1.7065469636987798
Energy: 1.5178932654222101
Energy: 1.7065469637013277
Energy: 1.5098916324559353
Energy: 1.697571142882039
Energy: 1.6448408800712828
Energy: 1.697571142882039
Energy: 1.7778490760046253
Energy: 1.5899566511828074
Energy: 1.5551191654957264
Energy: 1.58995665117941
Energy: 1.5050828207441256
Energy: 1.4995700766133473
Energy: 1.7438929484323773
Energy: 1.4995700766209907
Energy: 1.5852038228950367
Energy: 1.5915175736792895
Energy: 1.5124674633926212
Energy: 1.591517573682687
Energy: 1.5494062729125873
Energy: 1.7003460372059414
Energy: 1.5366470648680106
Energy: 1.700346037210188
Energy: 1.5090444865513055
Energy: 1.604239507333845
Energy: 1.5107910651887726
Energy: 1.6042395073329956
Energy: 1.5493327626166178
Energy: 1.6182082176223338
Energy: 1.5433434815689087
Energy: 1.6182082176214843
Energy: 1.4918044320295583
Energy: 1.499503882072931
Energy: 1.6370372913039726
Energy: 1.4995038820686846
Energy: 1.6845882727457835
Energy: 1.5537918022042414
Energy: 1.5273229450411236
Energy: 1.5537918021999946
Energy: 1.4918019787039958
Energy: 1.4993800157915058
Energy: 1.7554836632529995
Energy: 1.4993800157940538

minimum gb energy = 1.4883797990199719 eV
minimum distance =  2.19553928810681 Angstroms
sigma value = 29


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

Energy: 1.4311198080279
Energy: 1.4267470785308751
Energy: 1.3863157575580876
Energy: 1.4267470785302836
Energy: 1.5357876369475523
Energy: 1.4324988484792944
Energy: 1.5004300511059387
Energy: 1.4324988484792944
Energy: 1.4346409019409059
Energy: 1.5017597610346505
Energy: 1.383975067370187
Energy: 1.5017597610346505
Energy: 1.4289350309234554
Energy: 1.3856010104015033
Energy: 1.379548764036556
Energy: 1.3856010104006486
Energy: 1.4311885288414337
Energy: 1.4830053697215477
Energy: 1.6390529391373831
Energy: 1.4830053697180632
Energy: 1.4886723573025515
Energy: 1.5028522640530788
Energy: 1.4883676176820837
Energy: 1.5028522640525204
Energy: 1.4351533126563245
Energy: 1.4829818425854728
Energy: 1.4311948768236766
Energy: 1.4829818425857688
Energy: 1.3797349555171576
Energy: 1.3858228174782845
Energy: 1.42894070164074
Energy: 1.3858228174788432
Energy: 1.3839002963123608
Energy: 1.5017428500920764
Energy: 1.4775744399772588
Energy: 1.5017428500926353

minimum gb energy = 1.379548764036556 eV
minimum distance =  2.26329808565825 Angstroms
sigma value = 5


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

Energy: 1.4025306083523055
Energy: 1.4040648643096036
Energy: 1.6338886559564945
Energy: 1.4040648643088014
Energy: 1.6090544142201746
Energy: 1.4872412386377751
Energy: 1.3784171812676127
Energy: 1.4872412386369729
Energy: 1.371320226879108
Energy: 1.3952940248822991
Energy: 1.626912065486581
Energy: 1.3952940248822991
Energy: 1.3855150487063668
Energy: 1.4797034740195814
Energy: 1.3792381926776893
Energy: 1.4797034740187789
Energy: 1.3822699029031016
Energy: 1.4857369928046702
Energy: 1.5887497524615264
Energy: 1.4857369928046702
Energy: 1.4717697395520044
Energy: 1.4063693616846957
Energy: 1.3619880239465436
Energy: 1.4063693616863004
Energy: 1.361620688562471
Energy: 1.4832945245347255
Energy: 1.361939564653678
Energy: 1.48329452453633
Energy: 1.368816654105506
Energy: 1.4068251805896232
Energy: 1.383992290084852
Energy: 1.4068251805896232
Energy: 1.3825606589552424
Energy: 1.4833320580351614
Energy: 1.3870279459746897
Energy: 1.4833320580335567
Energy: 1.3745191092243316
Energy: 1.4840433847630812
Energy: 1.3658598626536174
Energy: 1.4840433847646857
Energy: 1.401744713540658
Energy: 1.4068091060519738
Energy: 1.3737098140825
Energy: 1.4068091060527763
Energy: 1.3725110200893351
Energy: 1.4925512628762605
Energy: 1.4056821777295212
Energy: 1.4925512628762605
Energy: 1.471848953494344
Energy: 1.4053454083325718
Energy: 1.4038877386276758
Energy: 1.4053454083325718
Energy: 1.3939178584865985
Energy: 1.4050439454205355
Energy: 1.4225136838932422
Energy: 1.4050439454205355
Energy: 1.677349815791863
Energy: 1.4821038793417949
Energy: 1.374110325962289
Energy: 1.4821038793433994
Energy: 1.376805460771055
Energy: 1.3954707606649486
Energy: 1.4003086912665286
Energy: 1.3954707606649486
Energy: 1.6127086373602502
Energy: 1.390320469102049
Energy: 1.395622392205745
Energy: 1.3903204691028512
Energy: 1.3816267172192591
Energy: 1.4048727210556884
Energy: 1.5894272517577335
Energy: 1.404872721054886
Energy: 1.3649865591744614
Energy: 1.4861743072735099
Energy: 1.3636142528449053
Energy: 1.4861743072735099
Energy: 1.3709917170235564
Energy: 1.4838205696926279
Energy: 1.3822382112251885
Energy: 1.4838205696926279
Energy: 1.3843724465060188
Energy: 1.4756856540344843
Energy: 1.374730778502497
Energy: 1.475685654036089
Energy: 1.3829780702992893
Energy: 1.483701538871144
Energy: 1.370912446714385
Energy: 1.4837015388719463
Energy: 1.3728073341880305
Energy: 1.4065145409322437
Energy: 1.366601705514741
Energy: 1.4065145409330462
Energy: 1.4038934272183716
Energy: 1.417124860328349
Energy: 1.371962176537243
Energy: 1.4171248603291513
Energy: 1.4034343741341335
Energy: 1.4001736546776273
Energy: 1.3732719570902454
Energy: 1.400173654679232
Energy: 1.3973317085879835
Energy: 1.4048154669612
Energy: 1.3835788718431923
Energy: 1.4048154669628048
Energy: 1.3747238432159836
Energy: 1.4719058428343323
Energy: 1.4549753428455554
Energy: 1.4719058428343323
Energy: 1.4228788679085145
Energy: 1.4877947735374097
Energy: 1.3770916610664292
Energy: 1.4877945095712752
Energy: 1.3742288241530582
Energy: 1.48613597549129
Energy: 1.8257027897209828
Energy: 1.48613597549129
Energy: 1.5846435375027461
Energy: 1.5381845080937993
Energy: 1.3816818822933616
Energy: 1.5381845080954037
Energy: 1.3703450915632276
Energy: 1.3828847755613825
Energy: 1.5820207514177633
Energy: 1.3828847755597777
Energy: 1.5898169739996537
Energy: 1.462657811153129
Energy: 1.3725532426167542
Energy: 1.4626578111547337
Energy: 1.380029124445615
Energy: 1.479100264926947
Energy: 1.3839732357601966
Energy: 1.479100264907765

minimum gb energy = 1.361620688562471 eV
minimum distance =  2.20865403746237 Angstroms
sigma value = 1


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

Energy: 1.3465863142913228
Energy: 1.3460326096852715
Energy: 1.397460930140059
Energy: 1.3460326096797253
Energy: 1.417888720637513
Energy: 1.37217267396886
Energy: 1.334451493873949
Energy: 1.3721726739666416
Energy: 1.302821702402505
Energy: 1.346023671730669
Energy: 1.8029206669323825
Energy: 1.346023671727341
Energy: 1.401200004876346
Energy: 1.4465192619530327
Energy: 1.3176753143800788
Energy: 1.4465192619497047
Energy: 1.303354263909638
Energy: 1.4787388296100414
Energy: 1.5819573181118445
Energy: 1.4787388296111508
Energy: 1.3041899048651817
Energy: 1.3498066563220896
Energy: 1.3174185550862145
Energy: 1.3498066563209805
Energy: 1.2984920737179133
Energy: 1.4791700849158553
Energy: 1.3191288341984848
Energy: 1.4791700849191831
Energy: 1.2979516693201802
Energy: 1.3502027239256917
Energy: 1.3315758274882747
Energy: 1.350202723926801
Energy: 1.3454677067245808
Energy: 1.3521916842830044
Energy: 1.3538196152010264
Energy: 1.3521916842841137
Energy: 1.3454367561721658
Energy: 1.3522072323709033
Energy: 1.3308603524909386
Energy: 1.3522072323697942
Energy: 1.3039290270114627
Energy: 1.3502006282701464
Energy: 1.3640267190296933
Energy: 1.3502006282668186
Energy: 1.298439630399792
Energy: 1.4791364662601545
Energy: 1.3188263891294307
Energy: 1.479136466262373
Energy: 1.304186130326103
Energy: 1.349766940637079
Energy: 1.317416728600181
Energy: 1.3497669406348605
Energy: 1.3033596246249168
Energy: 1.4786061015172265
Energy: 1.3459111205255703
Energy: 1.4786061015172265
Energy: 1.4012100065272282
Energy: 1.4462975534298044
Energy: 1.3174007621402775
Energy: 1.4462975534286955
Energy: 1.3028208279993592
Energy: 1.3460331628022988
Energy: 1.42379466212168
Energy: 1.3460331628022988
Energy: 1.4177570986744288
Energy: 1.3721898463532562
Energy: 1.3344861378660768
Energy: 1.3721898463499285
Energy: 1.346586314290214
Energy: 1.3460326096852715
Energy: 1.6215037802322116
Energy: 1.3460326096797253
Energy: 1.4178887206386221
Energy: 1.37217267396886
Energy: 1.3344514938728396
Energy: 1.3721726739666416
Energy: 1.3028217024036146
Energy: 1.346023671730669
Energy: 1.8029206669334916
Energy: 1.346023671727341
Energy: 1.401200004876346
Energy: 1.4465192619530327
Energy: 1.3176753143834066
Energy: 1.4465192619497047
Energy: 1.303354263909638
Energy: 1.4787388296100414
Energy: 1.5819573181118445
Energy: 1.4787388296111508
Energy: 1.3041899048651817
Energy: 1.3498066563209805
Energy: 1.3174185550851052
Energy: 1.3498066563198712
Energy: 1.298492073720132
Energy: 1.4791700849158553
Energy: 1.3191288341973753
Energy: 1.4791700849191831

minimum gb energy = 1.2979516693201802 eV
minimum distance =  2.22352741317885 Angstroms
sigma value = 17


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

Energy: 1.334878872899668
Energy: 1.334870863032213
Energy: 1.64534303431021
Energy: 1.3348708630370125
Energy: 1.5476115927503056
Energy: 1.3252206406146985
Energy: 1.3088785994900087
Energy: 1.3252206406146985
Energy: 1.3051268917343428
Energy: 1.31853807186805
Energy: 1.5960863479549348
Energy: 1.3185380718666786
Energy: 1.3972295839450821
Energy: 1.2950640709322383
Energy: 1.3033485036304109
Energy: 1.2950640709294958
Energy: 1.2947326951420897
Energy: 1.4215055702437758
Energy: 1.6266869350508455
Energy: 1.4215055702437758
Energy: 1.2948014932423781
Energy: 1.312675686384643
Energy: 1.321069693722353
Energy: 1.3126756864716551
Energy: 1.3288686816130209
Energy: 1.401118974332944
Energy: 1.3189457954407902
Energy: 1.4011189743350005
Energy: 1.2905195136488812
Energy: 1.59650268716386
Energy: 1.29787175365249
Energy: 1.59650268716386
Energy: 1.3322073665919718
Energy: 1.601591137780935
Energy: 1.3621963887868185
Energy: 1.601591137782992
Energy: 1.3190553021704194
Energy: 1.3995325703880666
Energy: 1.3064189954776129
Energy: 1.399532570390809
Energy: 1.3095591212298134
Energy: 1.372866430292751
Energy: 1.3007249353478805
Energy: 1.372866430292751
Energy: 1.2967389118207386
Energy: 1.3989390616482797
Energy: 1.2876082959698378
Energy: 1.3989390616496509
Energy: 1.2920684970713872
Energy: 1.3871143136498711
Energy: 1.307258501988333
Energy: 1.38711431365947
Energy: 1.3154142072264468
Energy: 1.420654492921209
Energy: 1.3336635731749302
Energy: 1.4206544929205236
Energy: 1.3006126580499933
Energy: 1.306935755559248
Energy: 1.345994730244885
Energy: 1.3069357555606194
Energy: 1.3107255321719757
Energy: 1.3192785170100265
Energy: 1.623514117873527
Energy: 1.3192785170127688
Energy: 1.304092536156421
Energy: 1.3056256545852027
Energy: 1.306717199583397
Energy: 1.3056256545831462
Energy: 1.2976845001208837
Energy: 1.4561342602026552
Energy: 1.3680744866555627
Energy: 1.4561342602026552
Energy: 1.4875692946670886
Energy: 1.4014022125593775
Energy: 1.3083936488106733
Energy: 1.4014022125614345
Energy: 1.3153439605041617
Energy: 1.3194371705186987
Energy: 1.544029909506285
Energy: 1.3194371705186987
Energy: 1.527219090457182
Energy: 1.3147117218813584
Energy: 1.3269159606152359
Energy: 1.314711721883415
Energy: 1.3276098517251094
Energy: 1.4569829067323241
Energy: 1.3551491817613592
Energy: 1.4569829067302673
Energy: 1.4885916931082894
Energy: 1.3113770158779898
Energy: 1.3174196433821679
Energy: 1.3113770158738758
Energy: 1.3080975439326215
Energy: 1.4029226051552002
Energy: 1.493530703724557
Energy: 1.4029226051552002
Energy: 1.3784130952690374
Energy: 1.4563011388960367
Energy: 1.3000896732315597
Energy: 1.4563011388967226
Energy: 1.310465294627412
Energy: 1.4239721627203457
Energy: 1.303127683465626
Energy: 1.42397216271966
Energy: 1.47991144804252
Energy: 1.6066026846713177
Energy: 1.3023476982032602
Energy: 1.6066026846699464
Energy: 1.344174005678532
Energy: 1.4836560154304497
Energy: 1.3040400248071182
Energy: 1.4836560145827034
Energy: 1.3335805474234554
Energy: 1.4200429288491925
Energy: 1.3201407161517105
Energy: 1.4200429288485072
Energy: 1.3226569595026996
Energy: 1.3907764070172497
Energy: 1.3350437466698026
Energy: 1.3907764070193067
Energy: 1.3015924543678694
Energy: 1.4201426716223426
Energy: 1.3089523243259784
Energy: 1.4201426716223426
Energy: 1.304442271309439
Energy: 1.371439371640533
Energy: 1.306338918845533
Energy: 1.3714393716480748
Energy: 1.302222481145486
Energy: 1.398985941151198
Energy: 1.5044189379879638
Energy: 1.398985941140228
Energy: 1.3661522033268336
Energy: 1.5014425075670124
Energy: 1.321830795932379
Energy: 1.5014425077054467
Energy: 1.2970408416941182
Energy: 1.3360515615231092
Energy: 1.3416926266625313
Energy: 1.3360515615251662
Energy: 1.319955125683248
Energy: 1.4032097647390664
Energy: 1.3264601863132996
Energy: 1.403209764738381
Energy: 1.3175122458764637
Energy: 1.8218671755166822
Energy: 1.2987555212711337
Energy: 1.8218671755146252
Energy: 1.3534580516372243
Energy: 1.4233314027076267
Energy: 1.3113580345765659
Energy: 1.4233314027076267

minimum gb energy = 1.2876082959698378 eV
minimum distance =  2.21497081555053 Angstroms
sigma value = 89


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

Energy: 1.1843444985229419
Energy: 1.1842101391356532
Energy: 1.9627144314703153
Energy: 1.184210139133859
Energy: 1.184512936344796
Energy: 1.2243138620767076
Energy: 1.2028509807412058
Energy: 1.2243138620767076
Energy: 1.2003883320431188
Energy: 1.408262513245504
Energy: 1.9622781620741079
Energy: 1.408262513247298
Energy: 1.2121918269413439
Energy: 1.2245046145171963
Energy: 1.2028866526808486
Energy: 1.2245046145189902
Energy: 1.1996581745533126
Energy: 1.3105465884611898
Energy: 1.9027297363935372
Energy: 1.3105465884611898
Energy: 1.1998290457034628
Energy: 1.1853999857270099
Energy: 1.188343009399336
Energy: 1.1853999857288038
Energy: 1.2007779643200025
Energy: 1.4079511570885337
Energy: 1.1841105368192737
Energy: 1.4079511570867398
Energy: 1.2013037667345212
Energy: 1.4076209465553142
Energy: 1.2029949258272423
Energy: 1.40762094655352
Energy: 1.1996250732242904
Energy: 1.3109744906930954
Energy: 1.2117366792643358
Energy: 1.3109744906930954
Energy: 1.2237484216314158
Energy: 1.309809202069004
Energy: 1.1996195156141118
Energy: 1.30980920206721
Energy: 1.1838582728577889
Energy: 1.2254957886992015
Energy: 1.1999076844714227
Energy: 1.2254957886992015
Energy: 1.1838112433240027
Energy: 1.4092086121173677
Energy: 1.203258200882199
Energy: 1.4092086121191618
Energy: 1.1995872720291694
Energy: 1.1881544124123649
Energy: 1.2118642706228853
Energy: 1.1881544124123649
Energy: 1.1996562255620589
Energy: 1.31024466885356
Energy: 1.1996557277458215
Energy: 1.31024466885356
Energy: 1.1830769976134508
Energy: 1.1882870899977802
Energy: 1.1995906451007898
Energy: 1.1882870899959863

minimum gb energy = 1.1830769976134508 eV
minimum distance =  2.24051478005021 Angstroms
sigma value = 13


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

Energy: 1.1811126974776927
Energy: 1.1420946204832085
Energy: 1.1823131149195987
Energy: 1.1420946204794489
Energy: 1.3449923129046872
Energy: 1.170652321230534
Energy: 1.131170449947049
Energy: 1.170652321224519
Energy: 1.1436185588547745
Energy: 1.7046992152868663
Energy: 1.704951830328494
Energy: 1.7046992152936333
Energy: 1.1677635422449442
Energy: 1.1708136373405704
Energy: 1.1287886532745657
Energy: 1.1708136371256603
Energy: 1.1500007790425686
Energy: 1.2335433478684794
Energy: 1.1929147585366444
Energy: 1.233543347863968
Energy: 1.1567417416216292
Energy: 1.1719112569216779
Energy: 1.1531557850413015
Energy: 1.171911256920926
Energy: 1.1496857872187256
Energy: 1.2371584130670095
Energy: 1.494642839542234
Energy: 1.2371584130677613
Energy: 1.120249212551026
Energy: 1.171242079075333
Energy: 1.1531355354139365
Energy: 1.1712420791903757
Energy: 1.14965053474499
Energy: 1.236589626970204
Energy: 1.3258823316269794
Energy: 1.2365896270476506
Energy: 1.3566322588897626
Energy: 1.436186943988808
Energy: 1.1286643857828482
Energy: 1.4361869440248314
Energy: 1.1495673504578428
Energy: 1.2595984892880139
Energy: 1.156793204755498
Energy: 1.2595984892827508
Energy: 1.4974879455881296
Energy: 1.258363535863095
Energy: 1.1363865214186308
Energy: 1.2583635055760143
Energy: 1.1884357373174077
Energy: 1.1599576523744828
Energy: 1.1596965260012106
Energy: 1.1599576523586927
Energy: 1.5264127403910985
Energy: 1.2580615112649511
Energy: 1.1362808826437947
Energy: 1.258061511276982
Energy: 1.1496704177435177
Energy: 1.1411948153588884
Energy: 1.1662234246203327
Energy: 1.1411948153611444
Energy: 1.1317572798014195
Energy: 1.258540116365025
Energy: 1.1258239988011391
Energy: 1.2585401163770553
Energy: 1.1452306324271189
Energy: 1.2260498004815847
Energy: 1.1259898771248253
Energy: 1.2260498004718097
Energy: 1.1637555747846322
Energy: 1.2330518259257957
Energy: 1.1491603772357688
Energy: 1.2330518259167726
Energy: 1.1458806419520469
Energy: 1.2341715981480248
Energy: 1.1489172842196163
Energy: 1.2341715981593038
Energy: 1.1454835793565874
Energy: 1.2339998021013276
Energy: 1.149175315775624
Energy: 1.2339998021163656
Energy: 1.1637815095035067
Energy: 1.2331914381965838
Energy: 1.1491133932847868
Energy: 1.2331914382033509
Energy: 1.1452251856196431
Energy: 1.2260151450163486
Energy: 1.1260080079151704
Energy: 1.2260151450231158
Energy: 1.1319288124297866
Energy: 1.2584790988636931
Energy: 1.1257886281733307
Energy: 1.2584790988584298
Energy: 1.1496789108105376
Energy: 1.1414435187304017
Energy: 1.1526515180491528
Energy: 1.1414435187281458
Energy: 1.5264314857574768
Energy: 1.2582202520912005
Energy: 1.1364282570238216
Energy: 1.2582202520957122
Energy: 1.1935427639291392
Energy: 1.160075435466133
Energy: 1.1638028266797027
Energy: 1.1600754354623735
Energy: 1.4976501826459085
Energy: 1.2588850373965124
Energy: 1.1365574179570557
Energy: 1.258885037232664
Energy: 1.1493732080868757
Energy: 1.2593266209507874
Energy: 1.1256649897334547
Energy: 1.259326620946276
Energy: 1.356477481753356
Energy: 1.4844810223729847
Energy: 1.1286462664442585
Energy: 1.4844810223805038
Energy: 1.1495101054449257
Energy: 1.2368564477209614
Energy: 1.3611832465251241
Energy: 1.2368564452640547
Energy: 1.1203395208184215
Energy: 1.734382027544593
Energy: 1.1531981843297565
Energy: 1.734382027550608
Energy: 1.149793633087543
Energy: 1.2373919618898193
Energy: 1.5187238669239929
Energy: 1.237391961892827
Energy: 1.1566262448177849
Energy: 1.1719839758115431
Energy: 1.1530780580965314
Energy: 1.17198397580628
Energy: 1.1500657774681795
Energy: 1.2335363004845423
Energy: 1.4985975790704817
Energy: 1.2335363004822866
Energy: 1.1679993650162066
Energy: 1.6730315568761573
Energy: 1.1287808221450073
Energy: 1.6730315568723977

minimum gb energy = 1.120249212551026 eV
minimum distance =  2.08812973226417 Angstroms
sigma value = 37


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

Energy: 1.0863444379475127
Energy: 1.08542479602486
Energy: 1.7974459191249317
Energy: 1.08542479602486
Energy: 1.1563207921930145
Energy: 1.379946718963112
Energy: 1.0345699045830696
Energy: 1.379946718963112
Energy: 1.0510454989690716
Energy: 1.4869515973818817
Energy: 1.798315235434464
Energy: 1.4869515973818817
Energy: 1.0247913835653784
Energy: 1.0847465230406588
Energy: 1.0346635580633219
Energy: 1.0847465230406588
Energy: 1.0329227987279128
Energy: 1.3785518463520863
Energy: 1.0245608649584035
Energy: 1.37855184635338
Energy: 1.037388998500815
Energy: 1.379065137477451
Energy: 1.0280395949611831
Energy: 1.3790651374787446
Energy: 1.0681264443250669
Energy: 1.8302568482946144
Energy: 1.353103666859237
Energy: 1.8302568482946144
Energy: 1.0324759005800814
Energy: 1.086170683948734
Energy: 1.0862090521103809
Energy: 1.0861706839474403
Energy: 1.033007677450987
Energy: 1.378552080906096
Energy: 1.353906203403501
Energy: 1.378552080906096
Energy: 1.4198697605054138
Energy: 1.3780479309986189
Energy: 1.0282077930796698
Energy: 1.3780479309973253
Energy: 1.068220237357921
Energy: 1.822683944642485
Energy: 1.0247228712018723
Energy: 1.822683944642485
Energy: 1.3989631124691784
Energy: 1.0850011301871088
Energy: 1.0345555149509058
Energy: 1.0850011301871088
Energy: 1.0243537325270706
Energy: 1.3785672705116225
Energy: 1.0375703706460284
Energy: 1.3785672705116225
Energy: 1.3527569116381817
Energy: 1.8233356282629323
Energy: 1.0326711007798584
Energy: 1.823335628264226
Energy: 1.084597258575972
Energy: 1.1419064829884484
Energy: 1.0324906238809322
Energy: 1.1419064829884484
Energy: 1.0848561556789855
Energy: 1.3782341569421868
Energy: 1.0345939738455423
Energy: 1.3782341569434804
Energy: 1.0243245261637133
Energy: 1.378220156954111
Energy: 1.0313769038863492
Energy: 1.3782201569554045
Energy: 1.0244976103463896
Energy: 1.8237112609655897
Energy: 1.0323919677047462
Energy: 1.823711260964296
Energy: 1.0332642272189823
Energy: 1.0867099605498747
Energy: 1.0324431890956336
Energy: 1.0867099605498747
Energy: 1.0324491921277588
Energy: 1.3781743376335807
Energy: 1.0243240821695627
Energy: 1.3781743376348743

minimum gb energy = 1.0243240821695627 eV
minimum distance =  2.16789907778475 Angstroms
sigma value = 25


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

Energy: 1.0085892241807977
Energy: 0.9478502572703212
Energy: 1.277005550353399
Energy: 0.947850257268301
Energy: 1.4325532452624123
Energy: 0.9730019413525716
Energy: 0.9495462876364019
Energy: 0.9730019413545917
Energy: 0.9441264142281951
Energy: 0.9440069942359944
Energy: 1.2545754041933324
Energy: 0.9440069942349842
Energy: 1.1830242890490625
Energy: 1.609609703374918
Energy: 0.949420826845004
Energy: 1.6096097033961312
Energy: 0.95071152212487
Energy: 1.575495607355917
Energy: 0.9135784386515692
Energy: 1.575495607354907
Energy: 0.9129796162198378
Energy: 1.5835419167988267
Energy: 0.9494354149272651
Energy: 1.5835419167978164
Energy: 0.9515622328075434
Energy: 0.9438337194076126
Energy: 1.1842047869947672
Energy: 0.9438337194076126
Energy: 0.91874327000154
Energy: 1.0092931947090549
Energy: 0.9460732754088986
Energy: 1.0092931947090549
Energy: 0.9485695412618963
Energy: 0.9729840002256989
Energy: 1.3746900763871452
Energy: 0.9729840002277192
Energy: 0.9178131997690074
Energy: 1.5889999119983462
Energy: 1.0103909763018903
Energy: 1.5889999119973361
Energy: 0.9517312923608484
Energy: 0.9436531858336556
Energy: 1.4143919846011783
Energy: 0.9436531858356759
Energy: 1.2309717967689189
Energy: 1.5772790912194592
Energy: 0.9461847633807208
Energy: 1.5772790078282677
Energy: 0.9487817533030448
Energy: 0.9730180594189703
Energy: 1.164950627117112
Energy: 0.9730180594189703
Energy: 1.2267066147361692
Energy: 1.0522398312600543
Energy: 0.9496163085235919
Energy: 1.052239830729949
Energy: 0.9516111327335204
Energy: 0.943850845090073
Energy: 0.9128037655150811
Energy: 0.9438508450910832
Energy: 1.2135015861420018
Energy: 1.575531714294285
Energy: 0.949506608689254
Energy: 1.5755317142952951
Energy: 0.9511149268917778
Energy: 1.009321364734785
Energy: 0.9189310592092228
Energy: 1.0093213647378154
Energy: 1.1986332599729101
Energy: 1.5858221354653756
Energy: 0.9497655246745516
Energy: 1.5858221354653756
Energy: 1.011011415063171
Energy: 0.9446419832829582
Energy: 0.9188572414794477
Energy: 0.9446419832829582
Energy: 1.4137806375572857
Energy: 1.331373799344465
Energy: 0.9495274754430418
Energy: 1.331373799345475
Energy: 0.9487148678127222
Energy: 1.3533161585274838
Energy: 0.9160476922790842
Energy: 1.3533161585274838
Energy: 0.9437504354272899
Energy: 0.9733331454350886
Energy: 0.9493971807273146
Energy: 0.9733331454340786
Energy: 0.9517170443166526
Energy: 1.0505596179557828
Energy: 1.2277672113866906
Energy: 1.0505596179547723
Energy: 0.9126940088914719
Energy: 1.612468874066337
Energy: 0.9496732152119505
Energy: 1.612468874068312
Energy: 0.9495795782410154
Energy: 1.3537980924029318
Energy: 1.2273548231537112
Energy: 1.353798092403942
Energy: 0.9177346731171346
Energy: 1.0094882778457863
Energy: 0.9434480524658283
Energy: 1.0094882778467964

minimum gb energy = 0.9126940088914719 eV
minimum distance =  2.26329374266981 Angstroms
sigma value = 41


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

Energy: 1.252765467077332
Energy: 0.8849133194009033
Energy: 1.137768505571855
Energy: 0.8849133194017315
Energy: 1.5982310611548929
Energy: 0.8627575174920782
Energy: 0.8515248182813635
Energy: 0.8627575174953909
Energy: 0.8830401944892187
Energy: 1.3934736713806382
Energy: 1.1376106704244922
Energy: 1.3934736713806382
Energy: 1.2326281186376384
Energy: 1.4156259072847717
Energy: 0.8513833996674129
Energy: 1.4156259072856
Energy: 0.8458259443791466
Energy: 1.089206836606043
Energy: 0.8297296196778265
Energy: 1.0892068366076992
Energy: 1.05145609573156
Energy: 0.8640845432548996
Energy: 0.8513067716772796
Energy: 0.8640845426738275
Energy: 0.8502752678547325
Energy: 1.4107037854419184
Energy: 0.902258971043475
Energy: 1.4107037854427467
Energy: 0.828519840391098
Energy: 0.8837409053978789
Energy: 0.8469759459097417
Energy: 0.8837409053970506
Energy: 0.8539265472696135
Energy: 1.4714117406865161
Energy: 1.2792609492337954
Energy: 1.4714117406873444
Energy: 0.8286785077322995
Energy: 1.3986845299709922
Energy: 0.884188703417385
Energy: 1.3986845299709922
Energy: 0.8503804249238565
Energy: 1.4006806669719738
Energy: 1.4148594497748206
Energy: 1.4006806669703173
Energy: 0.8319788701111585
Energy: 1.4160968938223297
Energy: 1.253609415975307
Energy: 1.4160968938223297
Energy: 0.8544034751294788
Energy: 1.2205014747908336
Energy: 1.4147753340015414
Energy: 1.2205014748430079
Energy: 1.0957925681864227
Energy: 1.2193848124906812
Energy: 0.8843842187763412
Energy: 1.2193848124898532
Energy: 0.8505062647985991
Energy: 0.8630077262191338
Energy: 1.2324123399711138
Energy: 0.8630077262158211
Energy: 1.0931039439081307
Energy: 1.0679956463969857
Energy: 0.8470745898266009
Energy: 1.0679956464011264
Energy: 0.8545472641219324
Energy: 1.4650257179335908
Energy: 1.0314815028488442
Energy: 1.4650257179335908
Energy: 1.090321156363288
Energy: 1.2195513965395772
Energy: 0.8514599336326613
Energy: 1.2195513965420617
Energy: 0.8505345236524983
Energy: 0.8830042534980198
Energy: 0.8285482506892593
Energy: 0.883004253498848
Energy: 1.0993476883910995
Energy: 1.4052667738277347
Energy: 0.854269607996235
Energy: 1.4052667738260782
Energy: 0.8874646482264311
Energy: 1.2184041708675293
Energy: 0.8284732789556336
Energy: 1.2184041708675293
Energy: 1.4151784253736692
Energy: 1.5378957300684697
Energy: 0.8515645073424637
Energy: 1.5378957300684697
Energy: 1.255934615604122
Energy: 1.0686581082212538
Energy: 0.8321486805774316
Energy: 1.0686581082212538
Energy: 1.2533947565836212
Energy: 1.4030350314117035
Energy: 0.8538582148012205
Energy: 1.4030350314125315
Energy: 0.8874680453003403
Energy: 1.2188780161807677
Energy: 0.833414019951627
Energy: 1.2188780161791115
Energy: 1.232822640154799
Energy: 1.5372832210424605
Energy: 0.8514107057987603
Energy: 1.5372832210432887
Energy: 0.8505170666863469
Energy: 0.8834928163784621
Energy: 1.0927297266484088
Energy: 0.8834928163668677
Energy: 0.8460340502724555
Energy: 1.2181048442035793
Energy: 0.8541081504140864
Energy: 1.2181048442044076
Energy: 0.8543605022745382
Energy: 1.2188487603022016
Energy: 1.0900528473773683
Energy: 1.2188487603038578
Energy: 0.828363458256695
Energy: 1.2697114120588078
Energy: 0.8553546031685237
Energy: 1.2697114120588078
Energy: 0.8573975362823484
Energy: 1.4677458316465806
Energy: 1.099340972067112
Energy: 1.4677458316449243
Energy: 0.8322863904451833
Energy: 1.2179601906451432
Energy: 0.8926759273007308
Energy: 1.2179601906434867

minimum gb energy = 0.828363458256695 eV
minimum distance =  2.23995730463291 Angstroms
sigma value = 15


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

Energy: 1.2336075972479719
Energy: 1.396766549772208
Energy: 1.484195849272132
Energy: 1.396766549770805
Energy: 1.487829690380467
Energy: 1.3335051903217536
Energy: 0.7992258304546522
Energy: 1.3335051903189472
Energy: 0.9169438721195602
Energy: 1.3143981717522466
Energy: 0.9854368882077619
Energy: 1.314398171746634
Energy: 1.342307179146036
Energy: 1.3038994899168392
Energy: 0.7992990202603291
Energy: 1.3038994899203473
Energy: 0.8816286739127158
Energy: 1.3826865010159304
Energy: 0.8246607120452023
Energy: 1.382686501018035
Energy: 1.1846080683419924
Energy: 1.3355418892268955
Energy: 0.8005748693366456
Energy: 1.335541889221283
Energy: 0.8079529828014517
Energy: 0.9685135572477418
Energy: 0.9061629275633386
Energy: 0.9685135572561606
Energy: 1.0370196487896903
Energy: 0.8851636737281733
Energy: 0.8093491371244154
Energy: 0.8851636697421498
Energy: 0.8013590662937473
Energy: 1.3899041503832852
Energy: 1.2488608056805164
Energy: 1.3899041503839866
Energy: 0.8480461280566555
Energy: 1.3620147570938979
Energy: 0.8823956881622004
Energy: 1.3620147571009136
Energy: 0.7986154042115801
Energy: 1.3273873548510344
Energy: 1.3970779578568453
Energy: 1.3273873548468247
Energy: 0.7667260061952821
Energy: 0.812059421468047
Energy: 0.9176671613309153
Energy: 0.8120594214603297
Energy: 0.8014719608812604
Energy: 1.4057113144988207
Energy: 1.4873067309948536
Energy: 1.4057113145001598
Energy: 0.765429562139113
Energy: 1.3978163929387875
Energy: 1.1393380730763683
Energy: 1.3978163929436984
Energy: 0.79869432056478
Energy: 1.3283258550492416
Energy: 1.4140393632736297
Energy: 1.3283258550513464
Energy: 0.9875662178010916
Energy: 0.8102036318918299
Energy: 0.9175879396901667
Energy: 0.8102036318939346
Energy: 0.8014143322865419
Energy: 1.2360804521924067
Energy: 1.3423266652430657
Energy: 1.23608045219381
Energy: 0.9909648688927035
Energy: 1.3803707503155005
Energy: 0.8824294990017035
Energy: 1.380370750309186
Energy: 0.8012684753357521
Energy: 1.3256567625590543
Energy: 1.184342006286946
Energy: 1.3256567625653684
Energy: 1.0708605925612582
Energy: 1.331683356845196
Energy: 0.8091715862116038
Energy: 1.3316833568508086
Energy: 0.8120325682637998
Energy: 1.354275496845204
Energy: 1.0204284640312904
Energy: 1.3542754968395911
Energy: 1.0772137152769452
Energy: 1.3865909469564919
Energy: 0.8045900177205505
Energy: 1.3865909469656124
Energy: 0.8843795053608423
Energy: 1.3496700667602664
Energy: 0.8479998703163318
Energy: 1.3496700667609678
Energy: 1.4123010860162752
Energy: 0.8783341781834262
Energy: 0.7993841416007169
Energy: 0.8783266527052322
Energy: 0.9196909014292249
Energy: 1.378246305434756
Energy: 0.9469984506001526
Energy: 1.378246305429845
Energy: 1.3628505018751078
Energy: 1.3859021235159765
Energy: 0.8049192011575891
Energy: 1.3859021235180813
Energy: 1.2314876510979462
Energy: 1.3910578789844688
Energy: 0.765529579303377
Energy: 1.3910578789858719
Energy: 1.4983400442365185
Energy: 0.8795522735450748
Energy: 0.7993294420049166
Energy: 0.8795522729483543
Energy: 0.919813597865398
Energy: 1.4090573521600824
Energy: 0.7661524911807769
Energy: 1.4090573521579777
Energy: 1.200876166094814
Energy: 0.8265686154493856
Energy: 0.804689726757805
Energy: 0.8265686154291038
Energy: 0.8844533278320715
Energy: 1.3119757719812193
Energy: 0.9913062513545848
Energy: 1.3119757719784133
Energy: 1.184501216034773
Energy: 1.3211514663610655
Energy: 0.8032947930114043
Energy: 1.3211514663673798
Energy: 0.8119662958962606
Energy: 1.4091072282168982
Energy: 1.0708149259977713
Energy: 1.4091072282098824
Energy: 0.8592426229465293
Energy: 1.3493067411138302
Energy: 0.8155415263399013
Energy: 1.3493067411047097
Energy: 0.7910326624918063
Energy: 1.3148259486271683
Energy: 1.0772796517699759
Energy: 1.3148259486250635
Energy: 0.8477082467731222
Energy: 1.349027552243137
Energy: 0.8878260110761224
Energy: 1.3490275522480477
Energy: 0.8016548248513373
Energy: 1.4090735905695648
Energy: 1.4080322008883874
Energy: 1.4090735905793867

minimum gb energy = 0.765429562139113 eV
minimum distance =  2.18696576291946 Angstroms
sigma value = 85


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

Energy: 1.0775615727461414
Energy: 1.2925263494134096
Energy: 0.9505273423366085
Energy: 1.2925263494134096
Energy: 1.5412519424711753
Energy: 1.2332905136498584
Energy: 0.7352471169610437
Energy: 1.2332905136492496
Energy: 1.0299100924985864
Energy: 0.7787521250991818
Energy: 1.0727435189778134
Energy: 0.7787521250991818
Energy: 1.2645587728869288
Energy: 1.237002582825088
Energy: 0.7350460130078709
Energy: 1.237002582823871
Energy: 0.77769250579298
Energy: 0.7329317340660116
Energy: 0.6850686404149391
Energy: 0.7329317340666202
Energy: 1.1226374807452677
Energy: 0.780183711165341
Energy: 0.7351053159823477
Energy: 0.7801837111647326
Energy: 0.7316550674665683
Energy: 0.9274992072632754
Energy: 0.7861363989916544
Energy: 0.9274992072651007
Energy: 0.9808483050136328
Energy: 1.2290600242703336
Energy: 0.7350547115121421
Energy: 1.2290600242703336
Energy: 0.7343790255973666
Energy: 0.881081229338325
Energy: 1.0395354175555045
Energy: 0.881081229338325
Energy: 0.851931289181156
Energy: 0.9276036204278818
Energy: 0.7324306056688411
Energy: 0.9276036204272733
Energy: 0.7347215424706486
Energy: 0.7800234068214674
Energy: 1.1829746575462203
Energy: 0.7800234068214674
Energy: 0.685242871676804
Energy: 1.2339214993716736
Energy: 0.7783721339152281
Energy: 1.2339214993716736
Energy: 0.7343870977971734
Energy: 0.7531768607640326
Energy: 1.2947403068438963
Energy: 0.753176860762207
Energy: 0.685158660305464
Energy: 0.7792064347665311
Energy: 1.030509924627438
Energy: 0.7792064347653141
Energy: 0.7348539663476371
Energy: 1.2329998242026454
Energy: 1.3940748895953898
Energy: 1.2329998242026454
Energy: 0.6875644069320559
Energy: 1.292796938694197
Energy: 1.0779942798582323
Energy: 1.2927969386935887
Energy: 0.7345459419082211
Energy: 0.7531119614780571
Energy: 1.3938638256960443
Energy: 0.7531119614780571
Energy: 0.8831663546010612
Energy: 0.9031757180870024
Energy: 1.0305227239058172
Energy: 0.9031757180650973
Energy: 0.7346686457532455
Energy: 1.2326650113419229
Energy: 1.2645510777688254
Energy: 1.2326650113419229
Energy: 0.8809200562298308
Energy: 1.317926360752645
Energy: 0.7785404850340614
Energy: 1.3179263607532532
Energy: 0.7345533450053372
Energy: 0.75313693076414
Energy: 1.122869078423668
Energy: 0.75313693076414
Energy: 0.8797916375308168
Energy: 1.054498056751035
Energy: 0.7323198972946244
Energy: 1.0544980567492095
Energy: 0.7348525152196623
Energy: 0.7784968161445175
Energy: 0.9792970926933112
Energy: 0.7784968161493854
Energy: 0.8915996120815303
Energy: 1.3146148297404856
Energy: 0.7351308827359899
Energy: 1.3146148297404856
Energy: 0.7346974789804132
Energy: 0.7773390472139852
Energy: 0.852832391644112
Energy: 0.7773390472145936
Energy: 1.1698841865934038
Energy: 1.1048473084905392
Energy: 0.7361031298240415
Energy: 1.1048473085094022
Energy: 0.7802194311579166
Energy: 0.7782552626168148
Energy: 0.6851231073659417
Energy: 0.7782552626168148
Energy: 1.1852947049673357
Energy: 1.3148180445737865
Energy: 0.7352795355240757
Energy: 1.314818044573178
Energy: 1.0324045927561913
Energy: 0.903042897595145
Energy: 0.685121074289815
Energy: 0.9030428975957535
Energy: 1.394137485642045
Energy: 1.237454662417321
Energy: 0.7358646012372192
Energy: 1.2374546624167126
Energy: 1.079888545390436
Energy: 1.2827657654673397
Energy: 0.6877050520661925
Energy: 1.2827657654673397
Energy: 1.2970060100634104
Energy: 1.3082135154111387
Energy: 0.7351134518357924
Energy: 1.3082135154117471
Energy: 1.0324204361965785
Energy: 0.9029163468400366
Energy: 0.6900658138376377
Energy: 0.9029163468406449
Energy: 1.2645923246887154
Energy: 0.9036521491252285
Energy: 0.7356847441391234
Energy: 0.903652149125837
Energy: 0.7804477441573769
Energy: 1.3078061062850368
Energy: 0.8808641101022017
Energy: 1.3078061062844284
Energy: 0.9967800218036252
Energy: 1.308199833861737
Energy: 0.7352835086758553
Energy: 1.3081998338611285
Energy: 0.7346125240237488
Energy: 1.093742086849819
Energy: 0.879759242077795
Energy: 1.0937420868492107
Energy: 0.9787629676696903
Energy: 0.7780559390811085
Energy: 0.7361237268674755
Energy: 0.7780559390817169
Energy: 0.7346855541770656
Energy: 1.307561525375717
Energy: 0.8913834041503704
Energy: 1.3075615253763253
Energy: 0.700034467825185
Energy: 1.2188284283598907
Energy: 0.7313386166379281
Energy: 1.218828428359282
Energy: 0.7337950485402573
Energy: 1.094222681779364
Energy: 1.1703101332170465
Energy: 1.094222681902221
Energy: 0.684967418368918
Energy: 0.7780353483806519
Energy: 0.777304226046581
Energy: 0.7780353483812604
Energy: 0.7347677428391648
Energy: 1.3073879381256384
Energy: 1.185080951130691
Energy: 1.3073879381256384

minimum gb energy = 0.684967418368918 eV
minimum distance =  2.19170253440111 Angstroms
sigma value = 113


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

Energy: 0.02040914956302266
Energy: 0.022056367603643545
Energy: 1.1775200360319409
Energy: 0.022056367605462632
Energy: 1.1763083218539594
Energy: 0.42763771299522385
Energy: 0.42829760025547353
Energy: 0.42763771299522385
Energy: 0.02040914956489372
Energy: 0.02205636760411131
Energy: 1.177520057831035
Energy: 0.022056367605462632
Energy: 1.1763083218534915
Energy: 0.4276377129948081
Energy: 0.42829760025453806
Energy: 0.4276377129948081
Energy: 0.020409149562139104
Energy: 0.02205636760411131
Energy: 1.1775200310703062
Energy: 0.022056367605462632
Energy: 1.1763083218530757
Energy: 0.4276377129948081
Energy: 0.42829760025682484
Energy: 0.4276377129948081

minimum gb energy = 0.020409149562139104 eV
minimum distance =  2.47855593462736 Angstroms
sigma value = 1