Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiCr__MO_880803040302_001
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=3.521391749382019
cohesive_energy=4.450350014532299
mass=58.6934
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=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083898807843395e-19, 4.2789331364237998e-19, 4.6747188303208195e-19, 5.014941038550719e-19, 5.311327694074379e-19, 5.57166537533304e-19, 5.80149761348034e-19, 6.004909958932979e-19, 6.18501063436092e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-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: 0.018089586654518295
Energy: 0.018369548138940504
Energy: 1.1254321171664912
Energy: 0.1601088759140343
Energy: 0.018369548138940504
Energy: 2.253776085538322
Energy: 0.16010887591337328
Energy: 2.2537760855350903
Energy: 1.1254321171664912
Energy: 0.16010887591337328
Energy: 0.018089586654518295
Energy: 0.018369548138940504
Energy: 0.16010887591337328
Energy: 2.2537760855357516
Energy: 0.018369548138940504
Energy: 2.25377608553252

minimum gb energy = 0.018089586654518295 eV
minimum distance =  2.44905077348842 Angstroms
sigma value = 1


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

Energy: 2.0653517590820134
Energy: 1.3178055713676862
Energy: 1.4323577485105325
Energy: 1.431297011788342
Energy: 1.3616663872824517
Energy: 1.445127021720834
Energy: 1.3372881712883586
Energy: 1.4451270217200325
Energy: 1.4317924439560024
Energy: 1.4311355202468177
Energy: 2.240109441904437
Energy: 1.4311355202468177
Energy: 1.3433332639667688
Energy: 1.337473983422092
Energy: 1.3377776191834407
Energy: 1.337473983422092
Energy: 1.9198718000483093
Energy: 1.339191054103633
Energy: 1.3366665182446282
Energy: 1.3391910541044345
Energy: 1.4244457843580611
Energy: 1.482410406410363
Energy: 1.3514112756887846
Energy: 1.4824104064119663
Energy: 1.451035865787232
Energy: 1.4519572199960624
Energy: 1.9208798789259864
Energy: 1.451957219996864
Energy: 1.394720226833297
Energy: 1.3957648395250377
Energy: 1.4558844231399257
Energy: 1.3957648395234343
Energy: 1.6546832681708232
Energy: 1.5260161643813341
Energy: 1.4931456777880283
Energy: 1.5260161643805326
Energy: 1.4499399658564416
Energy: 1.501037180501946
Energy: 1.408585715245547
Energy: 1.501037180501946
Energy: 1.4043164066730494
Energy: 1.5263902340103235
Energy: 1.6547612104055482
Energy: 1.526390234009522
Energy: 1.3954244205142168
Energy: 1.5278503566870494
Energy: 1.4599407119056818
Energy: 1.5278503566870494
Energy: 1.4487106741514026
Energy: 1.4516868606066309
Energy: 1.3777617189845137
Energy: 1.4516868606066309
Energy: 1.4264023507245727
Energy: 1.4512672486840787
Energy: 1.4140454940850329
Energy: 1.4512672486840787
Energy: 1.3770454956367975
Energy: 1.3390190948972092
Energy: 1.3379614611693396
Energy: 1.3390190948964076
Energy: 1.3874786547828164
Energy: 1.3378861422409054
Energy: 1.3386627644516185
Energy: 1.3378861422409054
Energy: 1.433617850145583
Energy: 1.4310828625578993
Energy: 1.3108868819038986
Energy: 1.4310828625570975
Energy: 1.3381656667523807
Energy: 1.3429352683945857
Energy: 1.3608460680559904
Energy: 1.3429352683937839
Energy: 1.349118531746298
Energy: 1.4314458653904312
Energy: 1.4349629128378891
Energy: 1.431445865391233
Energy: 1.4213338107235083
Energy: 1.445670133580841
Energy: 1.343832274197995
Energy: 1.445670133580841
Energy: 1.3373414634485896
Energy: 1.3445285139760814
Energy: 1.919542051450144
Energy: 1.3445285139776846
Energy: 1.3515151602547202
Energy: 1.3498661337770679
Energy: 1.4255122774931561
Energy: 1.3498661337762663
Energy: 1.9214035255791893
Energy: 1.4517572663173666
Energy: 1.393439438965848
Energy: 1.4517572663173666
Energy: 1.456475800508745
Energy: 1.462126404718448
Energy: 1.3971481419563876
Energy: 1.462126404718448
Energy: 1.407721278548534
Energy: 1.5274580123447803
Energy: 1.6539329336978006
Energy: 1.5274580123447803
Energy: 1.4113443105070589
Energy: 1.5267269804721237
Energy: 1.4522345723042147
Energy: 1.5267269804729255
Energy: 1.6557790537886206
Energy: 1.5275315774486216
Energy: 1.404982803524663
Energy: 1.5275315774470182
Energy: 1.4570708399766887
Energy: 1.5235737417861934
Energy: 1.3959851553057119
Energy: 1.5235737417861934
Energy: 1.3782320281967417
Energy: 1.4516435983234963
Energy: 1.4488033530216384
Energy: 1.4516435983234963
Energy: 1.4140847081097256
Energy: 1.451489787127599
Energy: 1.4234592405418174
Energy: 1.4514897871284005
Energy: 1.336894227706988
Energy: 1.3395354031544462
Energy: 1.3776750420522514
Energy: 1.3395354031544462
Energy: 1.3384015993357008
Energy: 1.3376968987834956
Energy: 1.3874223971604622
Energy: 1.3376968987834956
Energy: 1.3108412298447807
Energy: 1.3428093790097537
Energy: 1.4321550576501123
Energy: 1.3428093790113569

minimum gb energy = 1.3108412298447807 eV
minimum distance =  2.23474517582966 Angstroms
sigma value = 1


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

Energy: 2.32892423754944
Energy: 1.3741318942480238
Energy: 1.5043260272898953
Energy: 1.5053860181984997
Energy: 1.4373370854403733
Energy: 1.5120126943737362
Energy: 1.4020407636531917
Energy: 1.5120126943737362
Energy: 1.505373194107915
Energy: 1.5057390536331081
Energy: 2.140720646189768
Energy: 1.505739053632194
Energy: 1.4081192098440498
Energy: 1.4015802364249461
Energy: 1.401264836775137
Energy: 1.4015802364240322
Energy: 2.1414517816443364
Energy: 1.4026052442805073
Energy: 1.4017928685462298
Energy: 1.4026052442786792
Energy: 1.5028454075804296
Energy: 1.5611163372871821
Energy: 1.4159626606315516
Energy: 1.5611163372880963
Energy: 1.4742780136223033
Energy: 1.5364513639412771
Energy: 1.8013386372784619
Energy: 1.5364513639412771
Energy: 1.4650265848595072
Energy: 1.465129582900848
Energy: 1.5366966399990314
Energy: 1.4651295829026763
Energy: 1.8034454729369112
Energy: 1.6086068506785975
Energy: 1.6549077038967022
Energy: 1.6086068506776836
Energy: 1.5387683164020003
Energy: 1.5791695703251238
Energy: 1.4657625423078233
Energy: 1.579169570326038
Energy: 1.4486503067612837
Energy: 1.5363354404792302
Energy: 1.5440215988689432
Energy: 1.536335440478316
Energy: 1.4907804473998096
Energy: 1.5362307455480075
Energy: 1.5038346858250005
Energy: 1.5362307455388673
Energy: 1.4031940688638938
Energy: 1.4025299381603231
Energy: 1.9510687778232858
Energy: 1.4025299381603231
Energy: 1.4016612760151446
Energy: 1.4016911057275732
Energy: 1.4560661928387004
Energy: 1.4016911057294008
Energy: 1.3669045883439142
Energy: 1.5053534019695214
Energy: 1.5043320098952573
Energy: 1.5053534019740913
Energy: 1.4326660443860464
Energy: 1.4091144093331083
Energy: 1.4017338497610585
Energy: 1.4091144093349364
Energy: 1.5048397692722122
Energy: 1.5051895447227785
Energy: 1.4139965824666378
Energy: 1.5051895447236923
Energy: 1.4088120468201255
Energy: 1.5142462559162047
Energy: 1.5022516002868553
Energy: 1.5142462559162047
Energy: 1.4142604135085481
Energy: 1.4094299183628598
Energy: 1.4031021214122055
Energy: 1.409429918360159
Energy: 1.5040847594260733
Energy: 1.4024038063496058
Energy: 1.4171928560553169
Energy: 1.4024038063496058
Energy: 1.4701420584383218
Energy: 1.536904716614319
Energy: 1.8012849555609707
Energy: 1.536904716615233
Energy: 1.4644196817204151
Energy: 1.53684748494676
Energy: 1.5375209116035926
Energy: 1.5368474849485878
Energy: 1.802715730545514
Energy: 1.6084320015717497
Energy: 1.4726143826408415
Energy: 1.6084320015735778
Energy: 1.537985050688207
Energy: 1.6081953603696684
Energy: 1.466188532371903
Energy: 1.6081953603705823
Energy: 1.4493088499389346
Energy: 1.5365122372109843
Energy: 1.5428287382474375
Energy: 1.5365122372109843
Energy: 1.4912075678600805
Energy: 1.5399373400028442
Energy: 1.5030304744189238
Energy: 1.5399373400046723
Energy: 1.4016007813120541
Energy: 1.4024349237140235
Energy: 1.4479436361261449
Energy: 1.4024349237131095
Energy: 1.4027197630507187
Energy: 1.4026367163229916
Energy: 1.4555643295733558
Energy: 1.4026367163220774
Energy: 1.3667556234704892
Energy: 1.4089878321862521
Energy: 1.5040312282163044
Energy: 1.4089878321862521

minimum gb energy = 1.3667556234704892 eV
minimum distance =  2.23279685877329 Angstroms
sigma value = 25


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

Energy: 2.2067516095718407
Energy: 1.433461240050936
Energy: 1.584544292951817
Energy: 1.5843130280237934
Energy: 1.5170490923313635
Energy: 1.5814254042819085
Energy: 1.4714806208614377
Energy: 1.5814254042819085
Energy: 1.583863132632329
Energy: 1.5849516741835685
Energy: 2.0057360319771895
Energy: 1.584951674182506
Energy: 1.4821373757171648
Energy: 1.4727799203889786
Energy: 1.4722301506051367
Energy: 1.4727799203868537
Energy: 2.0066237041157033
Energy: 1.4722991566543322
Energy: 1.4723187061020648
Energy: 1.4722991566543322
Energy: 1.5864435467393307
Energy: 1.6442412477949815
Energy: 1.4838976563145412
Energy: 1.6442412478002943
Energy: 1.5524338539887368
Energy: 1.6371794537186741
Energy: 1.6609439162912345
Energy: 1.6371794537197364
Energy: 1.530638885302143
Energy: 1.6448295149388614
Energy: 1.6308335657468156
Energy: 1.6448295149388614
Energy: 1.6615202554305606
Energy: 1.6366650142057781
Energy: 1.8120010090635803
Energy: 1.6366650142057781
Energy: 1.6088877914399395
Energy: 1.6370205392674615
Energy: 1.4839063432060453
Energy: 1.637020539266399
Energy: 1.423224180498987
Energy: 1.4721791034505285
Energy: 1.4707080927626544
Energy: 1.4721791034494658
Energy: 1.5282887591265706
Energy: 1.472035197384711
Energy: 1.4712296464343675
Energy: 1.4720351973836485
Energy: 1.5837969709866158
Energy: 1.5846812536892576
Energy: 1.4215712724356262
Energy: 1.58468125369032
Energy: 1.4944308612203996
Energy: 1.482576460227264
Energy: 1.5185417083040262
Energy: 1.4825764602262013
Energy: 2.0037026488497163
Energy: 1.5846136471082393
Energy: 1.5859074205660824
Energy: 1.5846136471071768
Energy: 1.597614689394936
Energy: 1.5821104364120602
Energy: 1.4818445670388327
Energy: 1.5821104364120602
Energy: 1.4720814993126492
Energy: 1.4821575107172846
Energy: 2.0057287961734738
Energy: 1.4821575107172846
Energy: 1.4861135703796224
Energy: 1.4716571181156954
Energy: 1.5859583179830985
Energy: 1.4716571181156954
Energy: 1.661286897289293
Energy: 1.6369390797446346
Energy: 1.5980427408317794
Energy: 1.6369390797446346
Energy: 1.6325973597593586
Energy: 1.6369633651375717
Energy: 1.533026342609499
Energy: 1.6369633651375717
Energy: 1.5243459360462723
Energy: 1.6367117232578983
Energy: 1.6610903246412412
Energy: 1.6367117232578983
Energy: 1.5784154792943765
Energy: 1.6423050752608317
Energy: 1.5991800658212176
Energy: 1.6423050752608317
Energy: 1.4720350396274176
Energy: 1.4726176126816342
Energy: 1.424998988611956
Energy: 1.4726176126826969
Energy: 1.4718664014953056
Energy: 1.472005280308032
Energy: 1.528538548156663
Energy: 1.4720052803090944
Energy: 1.4238630407236827
Energy: 1.4825666797034598
Energy: 1.5840008534228331
Energy: 1.482566679704522

minimum gb energy = 1.4215712724356262 eV
minimum distance =  2.23659203710572 Angstroms
sigma value = 9


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

Energy: 2.022734116865066
Energy: 1.4867059549475252
Energy: 1.6681683702495345
Energy: 1.6671039412444772
Energy: 1.618039994729625
Energy: 1.6436952255894552
Energy: 1.5473733666059453
Energy: 1.6436952255894552
Energy: 1.6676734126156156
Energy: 1.6678092480602182
Energy: 2.3690828676399507
Energy: 1.6678092480602182
Energy: 1.5320205979588377
Energy: 1.546311055072045
Energy: 1.5468008570662
Energy: 1.546311055070777
Energy: 1.8199962080494196
Energy: 1.54716039568414
Energy: 1.5459491653032338
Energy: 1.5471603956828728
Energy: 1.761538124910872
Energy: 1.7993448085568562
Energy: 1.5485029612703407
Energy: 1.7993448085568562
Energy: 1.6185359662959549
Energy: 1.7501343782768308
Energy: 1.8245956614995944
Energy: 1.7501343782780985
Energy: 1.5490011078054253
Energy: 1.7617679091636336
Energy: 1.7613697124145855
Energy: 1.7617679091636336
Energy: 1.5457446619779596
Energy: 1.5476206263519394
Energy: 1.4707333989853242
Energy: 1.5476206263506718
Energy: 1.5463709646754868
Energy: 1.546177415522712
Energy: 1.6044578694990115
Energy: 1.546177415522712
Energy: 2.0267835702973573
Energy: 1.6665695604291244
Energy: 1.6668571570071027
Energy: 1.6665695604291244
Energy: 1.5845910334550035
Energy: 1.564024022336775
Energy: 1.5471469361604753
Energy: 1.564024022336775
Energy: 1.6686576272798093
Energy: 1.6677000513815372
Energy: 1.5271983313214348
Energy: 1.6677000513815372
Energy: 1.5650606243617875
Energy: 1.6436333691743088
Energy: 1.6641753921888278
Energy: 1.6436333691717737
Energy: 1.8206759244095572
Energy: 1.5640664687999157
Energy: 1.5507400720837754
Energy: 1.5640664687999157
Energy: 1.7608299636851668
Energy: 1.5467463896959783
Energy: 1.5466657005395468
Energy: 1.5467463896959783
Energy: 1.6639507692423012
Energy: 1.7502748124092908
Energy: 1.8242081824547038
Energy: 1.7502748124067558
Energy: 1.585180050528799
Energy: 1.749622931771278
Energy: 1.7595896429927966
Energy: 1.749622931771278
Energy: 1.544365557648719
Energy: 1.5489866881575367
Energy: 1.470038685177406
Energy: 1.5489866881575367
Energy: 1.5468803818516137
Energy: 1.5472731124851005
Energy: 1.4701121994864637
Energy: 1.5472731124851005
Energy: 1.46805483269215
Energy: 1.5639272953914467
Energy: 1.6673483405966343
Energy: 1.5639272953914467

minimum gb energy = 1.46805483269215 eV
minimum distance =  2.22945809536769 Angstroms
sigma value = 25


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

Energy: 1.7545629528037288
Energy: 1.5155766898223348
Energy: 1.7444537186078712
Energy: 1.7439469990164154
Energy: 1.4942534705801045
Energy: 1.626678795250273
Energy: 1.5453824079670888
Energy: 1.626678795250273
Energy: 1.7437749879219697
Energy: 1.7448323507393373
Energy: 2.146503711167358
Energy: 1.7448323507393373
Energy: 1.7013741599739522
Energy: 1.6281071204113664
Energy: 1.5460682936011847
Energy: 1.6281071204113664
Energy: 1.6246209138228282
Energy: 1.632547234191943
Energy: 1.5464821039710297
Energy: 1.6325472341934746
Energy: 1.9066591318119348
Energy: 1.631662047770409
Energy: 1.544841016556534
Energy: 1.6316620477719763
Energy: 1.7609773035618195
Energy: 1.6330555852467965
Energy: 1.6289600120703425
Energy: 1.6330555852467965
Energy: 1.4944588494068691
Energy: 1.7295676707236716
Energy: 1.6527869211717672
Energy: 1.7295676707236716
Energy: 1.742765152605188
Energy: 1.7428798962526093
Energy: 1.8949024268393002
Energy: 1.742879896251042
Energy: 1.5455322054322786
Energy: 1.50250843685684
Energy: 1.8945865542963063
Energy: 1.50250843685684
Energy: 2.1461273830300596
Energy: 1.7446635468889045
Energy: 1.7471936874400058
Energy: 1.7446635468889045
Energy: 1.6936218198085242
Energy: 1.6269664524585672
Energy: 1.6998204213906183
Energy: 1.6269664524569993
Energy: 1.5479313135548458
Energy: 1.5016556336341844
Energy: 1.6247687738057452
Energy: 1.5016556336357518
Energy: 1.5473729071818096
Energy: 1.6335060291353216
Energy: 1.9081469792558237
Energy: 1.6335060291353216
Energy: 1.6271640110891628
Energy: 1.631096032989493
Energy: 1.4939761226200274
Energy: 1.6310960329847903
Energy: 1.544917148012064
Energy: 1.65297636690083
Energy: 1.4943754476515159
Energy: 1.65297636690083
Energy: 1.4939536638911117
Energy: 1.5028369197624178
Energy: 1.7440882172173962
Energy: 1.5028369197624178

minimum gb energy = 1.4939536638911117 eV
minimum distance =  2.30994947653737 Angstroms
sigma value = 17


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

Energy: 2.426786482783896
Energy: 1.7971550830115168
Energy: 1.9344189869636719
Energy: 1.9348791077848537
Energy: 1.792546767908612
Energy: 1.6293781759382875
Energy: 1.9158374010732662
Energy: 1.6293781759382875
Energy: 1.6609424376888167
Energy: 1.6612429487496623
Energy: 2.206249339428353
Energy: 1.6612429487496623
Energy: 1.6250492906442826
Energy: 1.6272600852052734
Energy: 1.916592860257742
Energy: 1.6272600852061614
Energy: 1.8263951592354593
Energy: 1.7623913669814555
Energy: 1.6672951861042178
Energy: 1.7623913669814555
Energy: 1.914050615627405
Energy: 1.7647882376980975
Energy: 1.7164914721179145
Energy: 1.7647882376980975
Energy: 1.9882213573551006
Energy: 1.6604842338951697
Energy: 1.6583151103666331
Energy: 1.6604842338951697
Energy: 2.0418918309192957
Energy: 1.6255410857202863
Energy: 1.6763752024319107
Energy: 1.625541085721174
Energy: 1.936035518586768
Energy: 1.9353432719868047
Energy: 2.2096896712996656
Energy: 1.9353432719876924
Energy: 1.8836251032126197
Energy: 1.7301041122386045
Energy: 1.9136660749701542
Energy: 1.7301041122386045
Energy: 1.8262409561172426
Energy: 1.5997690089578924
Energy: 1.617045651296433
Energy: 1.5997690089578924
Energy: 1.8836060808615365
Energy: 1.6001582233225717
Energy: 1.5980381864263487
Energy: 1.6001582233225717
Energy: 1.7209123478079331
Energy: 1.5995572320793972
Energy: 1.597797284228572
Energy: 1.5995572320785092
Energy: 1.7212199575281648
Energy: 1.6269299484514919
Energy: 1.6149091034710914
Energy: 1.6269299484514919
Energy: 1.9358702770702532
Energy: 1.8837236588146273
Energy: 2.0372346008373685
Energy: 1.8837236588146273
Energy: 1.9366109660278077
Energy: 1.918077758609134
Energy: 2.0370427005961913
Energy: 1.9180777586082463
Energy: 1.880131395870061
Energy: 1.6247395620177958
Energy: 1.6625312119580697
Energy: 1.6247395620177958
Energy: 1.8794360443569833
Energy: 1.6247395240365996
Energy: 1.6591348238067287
Energy: 1.6247395240348241
Energy: 1.7138957174976122
Energy: 1.816501112514508
Energy: 1.7328245339186212
Energy: 1.8165011125136206
Energy: 1.66461101787578
Energy: 1.7657456051331486
Energy: 1.7165714944512873
Energy: 1.7657456051331486
Energy: 1.6244614931187071
Energy: 1.6248710756195814
Energy: 1.8903854437665686
Energy: 1.6248710756195814
Energy: 1.6606596649651801
Energy: 1.6731415518814987
Energy: 1.981873167544175
Energy: 1.6731415518806108
Energy: 1.9128760401194944
Energy: 1.7292146509445394
Energy: 1.7889540699975894
Energy: 1.7292146509463149
Energy: 2.207344771113213
Energy: 1.9350383255769215
Energy: 1.9359208263383156
Energy: 1.9350383255778092
Energy: 1.5631372006338105
Energy: 1.598672539242931
Energy: 1.88416428388152
Energy: 1.598672539242931
Energy: 1.597959898570109
Energy: 1.6000549151348564
Energy: 1.827609288090878
Energy: 1.6000549151348564
Energy: 1.616281725622883
Energy: 1.702510926016483
Energy: 2.0476143906903146
Energy: 1.702510926016483
Energy: 1.598219543309719
Energy: 1.5996707728572521
Energy: 1.9881422160209536
Energy: 1.5996707728545887
Energy: 1.740943659787815
Energy: 1.6287266061591366
Energy: 1.7205268162897
Energy: 1.6287266061609122
Energy: 2.4283904933640583
Energy: 1.9355721006658957
Energy: 1.934106435727833
Energy: 1.9355721006658957

minimum gb energy = 1.5631372006338105 eV
minimum distance =  2.23574377502556 Angstroms
sigma value = 53


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

Energy: 2.1601091327826265
Energy: 1.4607622821633168
Energy: 1.7766212911065777
Energy: 1.775389118941011
Energy: 2.092184655440392
Energy: 1.5451981051661037
Energy: 1.7660717938523771
Energy: 1.5451981051681476
Energy: 1.7756976811286884
Energy: 1.778074139788362
Energy: 1.79047384399526
Energy: 1.778074139788362
Energy: 1.7660323652098682
Energy: 1.5467266383872076
Energy: 1.7983029064704892
Energy: 1.5467266383872076
Energy: 1.800857281122382
Energy: 1.545180407948194
Energy: 1.4291298814049151
Energy: 1.545180407948194
Energy: 1.762946004870412
Energy: 1.547171483270438
Energy: 1.4295361780446023
Energy: 1.547171483270438
Energy: 2.1437357221636297
Energy: 1.7751175317702659
Energy: 1.7740756387535768
Energy: 1.7751175317702659
Energy: 2.1173955928517487
Energy: 1.547074892086787
Energy: 1.7766591242565832
Energy: 1.5470748920888306
Energy: 1.7772626793053479
Energy: 1.7771119601918237
Energy: 1.7930840478175136
Energy: 1.7771119601918237
Energy: 1.7647632366915627
Energy: 1.546914051907472
Energy: 1.7664026947796114
Energy: 1.5469140519095155
Energy: 1.7986230603957019
Energy: 1.5476171889180845
Energy: 1.4298119326208407
Energy: 1.5476171889201282
Energy: 1.7679689340296743
Energy: 1.5452821818511375
Energy: 1.4289490034805594
Energy: 1.5452821818511375
Energy: 2.1387301266488943
Energy: 1.5472491841797147
Energy: 1.77668857160419
Energy: 1.5472491841797147

minimum gb energy = 1.4289490034805594 eV
minimum distance =  2.29573108045282 Angstroms
sigma value = 9


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

Energy: 2.222758463394369
Energy: 1.9971998645054754
Energy: 2.061695580524765
Energy: 2.060343962849246
Energy: 1.6693973813527647
Energy: 1.6035978325478135
Energy: 2.1146248816956454
Energy: 1.6035978325447875
Energy: 1.600908910756755
Energy: 1.6030596937366188
Energy: 2.015225809507361
Energy: 1.603059693739645
Energy: 1.6023378146479745
Energy: 1.6030840196926623
Energy: 2.1577769637351616
Energy: 1.603084019691906
Energy: 1.6060238225527457
Energy: 1.6008339704020245
Energy: 2.148251550563368
Energy: 1.6008339703982424
Energy: 1.6789570057418137
Energy: 1.6023460426019618
Energy: 2.1442484552628773
Energy: 1.6023460426034746
Energy: 1.9833753657229471
Energy: 2.052601830860838
Energy: 2.0453475564422745
Energy: 2.0526018308600817
Energy: 1.98026194706353
Energy: 1.8033833925413936
Energy: 2.045873635499186
Energy: 1.80338339254215
Energy: 1.7196758068443203
Energy: 1.7337071086135383
Energy: 1.7384134454013291
Energy: 1.7337071086112688
Energy: 1.6133961535178138
Energy: 1.687395674938977
Energy: 2.0102704193163508
Energy: 1.6873956749412462
Energy: 1.7743100000474037
Energy: 1.760183442076235
Energy: 2.003781103194903
Energy: 1.760183442076235
Energy: 1.7941589957176707
Energy: 1.8914730991787505
Energy: 2.2056610634200813
Energy: 1.89147309918102
Energy: 2.099682587834427
Energy: 1.7926357656280736
Energy: 1.8525721456341147
Energy: 1.792635765625804
Energy: 2.1046400540214556
Energy: 1.8000812444879735
Energy: 1.8424267262462444
Energy: 1.8000812444909995
Energy: 1.9541068374830834
Energy: 1.7623571899885697
Energy: 1.7718059090067908
Energy: 1.7623571899583803
Energy: 1.8753170182531536
Energy: 1.8433236674239406
Energy: 1.759825396382402
Energy: 1.8433236674254534
Energy: 1.9459730198049208
Energy: 1.8099383981573671
Energy: 1.896777014219055
Energy: 1.8099383981588801
Energy: 1.944815545443053
Energy: 1.9407804660005756
Energy: 2.0848122632921866
Energy: 1.9407804660020884
Energy: 1.9084312828139631
Energy: 1.8366533234392628
Energy: 1.6512904099107004
Energy: 1.83665332343775
Energy: 2.0143234713017635
Energy: 1.6871168895956399
Energy: 1.6800124524170987
Energy: 1.687116889594127
Energy: 2.094518120126249
Energy: 1.6801825147593183
Energy: 1.6823061898483507
Energy: 1.6801825147578056
Energy: 2.140642025797943
Energy: 1.6335098885106312
Energy: 1.6355195432849057
Energy: 1.6335098885091182
Energy: 2.144372516171722
Energy: 1.6355946947818203
Energy: 1.708940299268418
Energy: 1.635594694779551
Energy: 2.0609566558423236
Energy: 2.0444533650082852
Energy: 2.1039237968900073
Energy: 2.044453365006016
Energy: 2.0855402356929846
Energy: 1.8008638257521385
Energy: 2.1030284084517117
Energy: 1.8008638257506258
Energy: 1.7422798524119705
Energy: 1.776431532801232
Energy: 1.7247063545613432
Energy: 1.7764315327989626
Energy: 2.0100895100995664
Energy: 1.6461515420280843
Energy: 1.6123799876283227
Energy: 1.6461515420273278
Energy: 2.077281230028319
Energy: 1.7607890268530155
Energy: 1.767036798084396
Energy: 1.7607890268552848
Energy: 2.2248380868065616
Energy: 1.8169985387569108
Energy: 1.776590448086732
Energy: 1.8169985387538847
Energy: 1.8344471405221205
Energy: 1.7599451187645618
Energy: 1.9863199417990796
Energy: 1.7599451187660746
Energy: 1.794476922708495
Energy: 1.7688074423897384
Energy: 2.019560790483102
Energy: 1.7688074423897384
Energy: 1.7561602581676254
Energy: 1.7435536272962116
Energy: 2.026675619074406
Energy: 1.743553627296968
Energy: 1.6888706160787
Energy: 1.7677236484221204
Energy: 1.8801133648174697
Energy: 1.7677236484228769
Energy: 1.7722538942261876
Energy: 1.7813241699658053
Energy: 1.9205911813821988
Energy: 1.7813241699642925
Energy: 2.223772686014835
Energy: 2.055475799949203
Energy: 2.058942810499749
Energy: 2.0554757999476903

minimum gb energy = 1.6008339703982424 eV
minimum distance =  2.21829875680391 Angstroms
sigma value = 73


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

Energy: 2.1855153934347897
Energy: 1.6981628528696588
Energy: 1.964766196274182
Energy: 1.8884565664501358
Energy: 1.7261714004240702
Energy: 1.6474569499389673
Energy: 1.699114375050565
Energy: 1.6474569499389673
Energy: 1.6475537497525234
Energy: 1.6478721323059689
Energy: 1.869199824831298
Energy: 1.6478721323059689
Energy: 1.6382399156978305
Energy: 1.6058361709139402
Energy: 2.0702959989437097
Energy: 1.6058361709139402
Energy: 1.6390621597329857
Energy: 1.653803863886579
Energy: 2.086149255601591
Energy: 1.653803863886579
Energy: 1.81552130794711
Energy: 1.6384496478489399
Energy: 2.091401906938049
Energy: 1.6384496478489399
Energy: 1.8414473107093352
Energy: 2.0048314194092556
Energy: 2.012998683109474
Energy: 2.0048314194092556
Energy: 1.840465912762342
Energy: 1.9312908373191955
Energy: 1.9374498996951168
Energy: 1.9312908373179951
Energy: 1.7558787834136895
Energy: 1.9037819550212787
Energy: 1.9037690116713026
Energy: 1.9037819550092767
Energy: 1.6583042384248718
Energy: 1.8633129381572857
Energy: 1.938865104507841
Energy: 1.8633129381572857
Energy: 1.782613412114178
Energy: 1.6943919611035698
Energy: 1.9556601288610542
Energy: 1.6943919611035698
Energy: 1.7051463284618547
Energy: 1.69072977003719
Energy: 1.9756400676218528
Energy: 1.69072977003719
Energy: 1.9189969888897949
Energy: 1.8060626743173696
Energy: 1.6894953548148448
Energy: 1.8060626743161694
Energy: 1.8685603285003372
Energy: 1.7612722898376016
Energy: 1.7603485284737725
Energy: 1.7612722898376016
Energy: 1.9763334269789323
Energy: 1.6865975563075777
Energy: 1.6825669272812687
Energy: 1.6865975563075777
Energy: 2.087200532800085
Energy: 1.691606987075891
Energy: 1.6922919891708157
Energy: 1.6916069870746908
Energy: 2.089443103488651
Energy: 1.845839242541344
Energy: 1.8011061037935945
Energy: 1.8458392425425438
Energy: 1.932432718922455
Energy: 1.9317172187716252
Energy: 2.6276828860934582
Energy: 1.9317172187728253
Energy: 1.875490829099877
Energy: 1.859503840222417
Energy: 1.8406345021831498
Energy: 1.859503840222417
Energy: 1.7869583006400536
Energy: 1.707751019055601
Energy: 1.6889809167580312
Energy: 1.707751019056801
Energy: 1.881139614808695
Energy: 1.7134282646961085
Energy: 1.6592382415758895
Energy: 1.7134282646961085
Energy: 2.080512285570682
Energy: 1.8900733761493715
Energy: 1.9563709717430344
Energy: 1.8900733761493715

minimum gb energy = 1.6058361709139402 eV
minimum distance =  2.1837933791828 Angstroms
sigma value = 7


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

Energy: 2.494505360702278
Energy: 1.5848427239405904
Energy: 1.8851236175203274
Energy: 1.8855256208772935
Energy: 1.7938329970791462
Energy: 1.731264311525094
Energy: 1.9969267282030634
Energy: 1.7312643115242454
Energy: 1.602835769842448
Energy: 1.6019579737120748
Energy: 1.7268171166274764
Energy: 1.6019579737103773
Energy: 1.5985511921283644
Energy: 1.6035962153660799
Energy: 2.033699275534738
Energy: 1.6035962153660799
Energy: 1.6322786284013107
Energy: 1.6309111251129287
Energy: 1.8738765627674356
Energy: 1.630911125114626
Energy: 1.6063251497457431
Energy: 1.6345951381243453
Energy: 1.87440197279642
Energy: 1.6345951381260428
Energy: 1.9918301127470144
Energy: 1.629928111898428
Energy: 1.6027049728541236
Energy: 1.6299281119009736
Energy: 1.9859191156383462
Energy: 1.630880909739138
Energy: 1.6335757153319015
Energy: 1.6308809097365915
Energy: 2.1043062567744792
Energy: 1.613359013236252
Energy: 1.6134274067960028
Energy: 1.6133590132320088
Energy: 1.875252633822033
Energy: 1.835526063130197
Energy: 1.6065545340501137
Energy: 1.835526063108132
Energy: 2.098625881979654
Energy: 1.7388387262236376
Energy: 1.845681013658372
Energy: 1.7388387262236376
Energy: 1.888028957096747
Energy: 1.8079156525388451
Energy: 2.1094454300114385
Energy: 1.807915652541314
Energy: 1.7325149559293687
Energy: 1.7319043670046683
Energy: 1.8344975468786082
Energy: 1.731904367005517
Energy: 1.7315523432744806
Energy: 1.67193333364988
Energy: 1.577180354376734
Energy: 1.67193333364988
Energy: 1.800473606775749
Energy: 1.7319210414520123
Energy: 1.5793342101543253
Energy: 1.7319210414503148
Energy: 2.0501638367534647
Energy: 1.8151184363563375
Energy: 1.8877707734682128
Energy: 1.8151184363563375
Energy: 2.0416168340192486
Energy: 1.7390800844867031
Energy: 1.845359727370143
Energy: 1.7390800844180392
Energy: 1.6077068320766852
Energy: 1.8353086100983786
Energy: 1.725117178843262
Energy: 1.835308610114426
Energy: 1.6100495871879397
Energy: 1.6141099562589947
Energy: 1.8418696709610265
Energy: 1.6141099562623893
Energy: 1.7212838221922293
Energy: 1.6354625286736244
Energy: 2.042429360057632
Energy: 1.635462528672776
Energy: 1.6024432441139724
Energy: 1.6305538732282692
Energy: 1.8803722401640692
Energy: 1.6305538732282692
Energy: 1.9849654759385986
Energy: 1.6365452020911064
Energy: 1.6119654606656004
Energy: 1.6365452020911064
Energy: 1.9857701668420031
Energy: 1.6333906232959123
Energy: 1.6326997427873071
Energy: 1.6333906232942148
Energy: 2.0033775745046687
Energy: 1.6147519889085626
Energy: 1.613606498054893
Energy: 1.6147519889094113
Energy: 1.8777491491094855
Energy: 1.6022983180950574
Energy: 1.6004539010803307
Energy: 1.6022983180959063
Energy: 1.8844206298803683
Energy: 1.7314879847243716
Energy: 1.6371371856306034
Energy: 1.7314879847269173
Energy: 1.8852285317613138
Energy: 1.8856480897151546
Energy: 2.180356757836961
Energy: 1.8856480897168517
Energy: 1.7368381536824968
Energy: 1.7369110665885195
Energy: 1.8249606724868876
Energy: 1.736911066587671
Energy: 1.7306636067903165
Energy: 1.6749781745563757
Energy: 1.7344504270402208
Energy: 1.6749781745563757
Energy: 1.8379081254567726
Energy: 1.7311578607712113
Energy: 1.5770302960850755
Energy: 1.7311578607703624
Energy: 2.0414692023734475
Energy: 1.7395994467423166
Energy: 1.8081964261668173
Energy: 1.7395994528541803

minimum gb energy = 1.5770302960850755 eV
minimum distance =  2.19437100766441 Angstroms
sigma value = 29


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

Energy: 1.4117821467995981
Energy: 1.413988163444677
Energy: 1.7553312005736827
Energy: 1.8520777769977141
Energy: 1.4155427552769284
Energy: 1.5921507702767463
Energy: 1.5527562855718613
Energy: 1.5921507702767463
Energy: 1.7540778579084275
Energy: 1.542571486244425
Energy: 1.4235280378983441
Energy: 1.5425714862455744
Energy: 1.4155738029835598
Energy: 1.4422313344569755
Energy: 1.4445170242863412
Energy: 1.4422313344581248
Energy: 1.4403727669119002
Energy: 1.4419228812102616
Energy: 1.4162937542225469
Energy: 1.4419228812105571
Energy: 1.4446268028733449
Energy: 1.53940652568624
Energy: 1.4160976629318986
Energy: 1.5394065256850902
Energy: 1.4240435829213651
Energy: 1.5430229466628604
Energy: 1.7547011141876332
Energy: 1.5430229466631562
Energy: 1.5546500407327255
Energy: 1.4423317394705086
Energy: 1.415576791619185
Energy: 1.4423317394696218
Energy: 1.4164560826560073
Energy: 1.441660969334339
Energy: 1.4426840324777133
Energy: 1.4416609693346343

minimum gb energy = 1.4117821467995981 eV
minimum distance =  2.26639797065366 Angstroms
sigma value = 5


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

Energy: 1.9314055969143056
Energy: 1.467493917288154
Energy: 1.830921030111006
Energy: 1.8285161299851405
Energy: 1.8189591291926754
Energy: 1.4776186770424287
Energy: 1.7389322646306475
Energy: 1.4776186770432302
Energy: 1.7382949201351001
Energy: 1.588572630132573
Energy: 1.7353575766626845
Energy: 1.58857263013097
Energy: 1.496020999199794
Energy: 1.4762084539982485
Energy: 1.8855942883318746
Energy: 1.4762084540006535
Energy: 1.7431226338332761
Energy: 1.6035917103162578
Energy: 1.729845366482611
Energy: 1.603591710315456
Energy: 1.5579816301227079
Energy: 1.4955636740007514
Energy: 1.7306449644965716
Energy: 1.4955636740031564
Energy: 1.4769745390511515
Energy: 1.4756662474886422
Energy: 1.883936433871676
Energy: 1.4756662474886422
Energy: 1.478327986316178
Energy: 1.4785680199540758
Energy: 1.9409342952995257
Energy: 1.4785680199548774
Energy: 1.8190465866113676
Energy: 1.553820426189955
Energy: 1.9589078411721932
Energy: 1.5538204261907567
Energy: 1.710243238935142
Energy: 1.4597511352847767
Energy: 1.4593707051801854
Energy: 1.4597511352839752
Energy: 1.6863227934078682
Energy: 1.4587120933699256
Energy: 1.4587935476627336
Energy: 1.4587120933699256
Energy: 1.9569638220563113
Energy: 1.4665638119355662
Energy: 1.457604612592624
Energy: 1.4665638119347644
Energy: 1.962554953354118
Energy: 1.4641356075225234
Energy: 1.6507301539232202
Energy: 1.46413560752092
Energy: 1.8175358033181686
Energy: 1.5602032255874665
Energy: 1.730373372662155
Energy: 1.5602032255874665
Energy: 1.4780902237990572
Energy: 1.4771397252135834
Energy: 1.7322779222238092
Energy: 1.47713972521198
Energy: 1.4780352911207086
Energy: 1.4768641408825565
Energy: 1.7383824797041123
Energy: 1.4768641408825565
Energy: 1.828866504099557
Energy: 1.4768983828692506
Energy: 1.4953136160673328
Energy: 1.4768983828700524
Energy: 1.8064197125188661
Energy: 1.4790092975198896
Energy: 1.8222989672694947
Energy: 1.4790092975206914
Energy: 1.7175648742128484
Energy: 1.5904440454243192
Energy: 1.738460678941163
Energy: 1.5904440454235176
Energy: 1.8826257173120733
Energy: 1.4759716164313956
Energy: 1.4915316471812285
Energy: 1.4759716164338006
Energy: 1.7320988214900392
Energy: 1.4836111824679445
Energy: 1.742857731727691
Energy: 1.4836111824695477
Energy: 1.7287332817218517
Energy: 1.5579159121258486
Energy: 1.5601013441118001
Energy: 1.5579159121250472
Energy: 1.8884869621696123
Energy: 1.476363909066471
Energy: 1.4783525019548394
Energy: 1.4763639090680745
Energy: 1.9634281976822194
Energy: 1.4772658550674314
Energy: 1.4780909083389029
Energy: 1.4772658550666296
Energy: 1.960543618831657
Energy: 1.5534480934708792
Energy: 1.8165395596673255
Energy: 1.5534480934724826
Energy: 1.4641235620853772
Energy: 1.4609480211886838
Energy: 1.7100577058802133
Energy: 1.4609480211886838
Energy: 1.4634992506205753
Energy: 1.4583726892691797
Energy: 1.6833818439250166
Energy: 1.4583726892683782
Energy: 1.50018545690813
Energy: 1.4600185816291102
Energy: 1.491697903290285
Energy: 1.4600185816291102
Energy: 1.4623158298301127
Energy: 1.4581134249157535
Energy: 1.9376794037412493
Energy: 1.4581134249157535
Energy: 1.7296415079944132
Energy: 1.55340735531546
Energy: 1.8159237423860795
Energy: 1.5534073553146581
Energy: 1.729204946906745
Energy: 1.4772167179477924
Energy: 1.4803786631557718
Energy: 1.4772167179469906
Energy: 1.7382052074064285
Energy: 1.4772255355831283
Energy: 1.4793584967300304
Energy: 1.4772255355815247
Energy: 1.4964519577172775
Energy: 1.4759743945620716
Energy: 1.5604294612152305
Energy: 1.4759743945628734

minimum gb energy = 1.457604612592624 eV
minimum distance =  2.2270717804352 Angstroms
sigma value = 1


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

Energy: 2.2541552157774043
Energy: 1.4941499478292872
Energy: 1.8178392838293818
Energy: 1.8169887230435866
Energy: 1.6982136634209097
Energy: 1.442839358733989
Energy: 1.77845287086983
Energy: 1.442839358733989
Energy: 1.7749465513595568
Energy: 1.5904535832488456
Energy: 1.776017171744179
Energy: 1.5904535832488456
Energy: 1.5957580563550966
Energy: 1.7455484633887839
Energy: 1.778087734436586
Energy: 1.7455484633910008
Energy: 1.782225298281664
Energy: 1.5607279000623433
Energy: 1.6254900795997866
Energy: 1.5607279000612349
Energy: 1.5590648309767705
Energy: 1.4792549203933487
Energy: 1.6274190365748806
Energy: 1.4792549203933487
Energy: 1.4475111003848915
Energy: 1.447713916909762
Energy: 1.778703519421782
Energy: 1.4477139169108706
Energy: 1.4493219530341694
Energy: 1.4521701802525049
Energy: 1.9371381665987957
Energy: 1.4521701802525049
Energy: 1.4990284394026978
Energy: 1.5552895576339851
Energy: 1.9359876635645574
Energy: 1.555289557632877
Energy: 1.9005214032041717
Energy: 1.39935353629317
Energy: 1.5676804711993053
Energy: 1.39935353629317
Energy: 1.4991613877625392
Energy: 1.4128776854310199
Energy: 1.5696160686909366
Energy: 1.4128776854310199
Energy: 2.049057505906873
Energy: 1.398170155280259
Energy: 1.5292343157725645
Energy: 1.398170155282476
Energy: 2.0780818286040668
Energy: 1.3975763638408003
Energy: 1.5560280953530212
Energy: 1.3975763638408003
Energy: 1.9143151766270707
Energy: 1.3961308300723585
Energy: 1.8946984483972995
Energy: 1.3961308300723585
Energy: 1.5952637663027767
Energy: 1.7083575678041734
Energy: 1.894481371436125
Energy: 1.708357567803065
Energy: 1.615636625064181
Energy: 1.4484950186090648
Energy: 1.865195014111198
Energy: 1.448495018610173
Energy: 1.6566107750164727
Energy: 1.5406756986366537
Energy: 1.6237159962539565
Energy: 1.5406756986377619
Energy: 1.4743133218754727
Energy: 1.4517837779157647
Energy: 1.6286893858813105
Energy: 1.4517837779157647
Energy: 1.4506634544094803
Energy: 1.44876430464283
Energy: 1.934246286605313
Energy: 1.44876430464283
Energy: 1.4488427100422192
Energy: 1.7308713666718676
Energy: 1.9500023975514675
Energy: 1.7308713666718676
Energy: 1.9173846935062757
Energy: 1.5573659173133183
Energy: 1.7866168310692934
Energy: 1.5573659173133183
Energy: 1.9072743988501843
Energy: 1.4423312205878078
Energy: 1.442784483679751
Energy: 1.4423312205878078
Energy: 1.9868155193896728
Energy: 1.4409870981707529
Energy: 1.4415682425978342
Energy: 1.4409870981707529
Energy: 1.9326143824592386
Energy: 1.4960950069987013
Energy: 1.4955301246446535
Energy: 1.4960950069987013

minimum gb energy = 1.3961308300723585 eV
minimum distance =  2.22016649154937 Angstroms
sigma value = 17


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

Energy: 2.181579801403261
Energy: 1.4103088119258818
Energy: 1.7994577022010034
Energy: 1.798012177775126
Energy: 1.4185503110493791
Energy: 1.4088688727948242
Energy: 1.636401210814791
Energy: 1.4088688727941392
Energy: 1.830655906722822
Energy: 1.712221552892625
Energy: 1.627583582472896
Energy: 1.7122215528919398
Energy: 1.797583099362658
Energy: 1.4940482000815571
Energy: 1.797668307675158
Energy: 1.4940482000815571
Energy: 1.5739412098891046
Energy: 1.4246331199580577
Energy: 1.9980214819801878
Energy: 1.4246331199573725
Energy: 1.4314301733024641
Energy: 1.422544959251061
Energy: 1.9802282878007496
Energy: 1.422544959251061
Energy: 1.3944398238665314
Energy: 1.392828144904133
Energy: 1.492962639620026
Energy: 1.392828144904133
Energy: 1.4014761727267724
Energy: 1.3955557569721215
Energy: 2.1894536425703253
Energy: 1.3955557569721215
Energy: 1.9770308802158938
Energy: 1.3956810039754382
Energy: 1.8183057842688977
Energy: 1.3956810039740681
Energy: 1.6040309791435914
Energy: 1.4936362284592009
Energy: 1.6354761624564602
Energy: 1.4936362284578306
Energy: 2.0790385924731787
Energy: 1.4070112722168027
Energy: 1.4168080816393376
Energy: 1.4070112722168027
Energy: 1.976611458284333
Energy: 1.410853653055089
Energy: 1.6404004247838644
Energy: 1.4108536530537188
Energy: 1.9879555527959767
Energy: 1.4696352561260047
Energy: 1.4777847070768293
Energy: 1.4696352561253194
Energy: 1.8678689125359003
Energy: 1.406931888282716
Energy: 1.4108225711469564
Energy: 1.406931888282716
Energy: 1.8243355322496142
Energy: 1.4094318814208584
Energy: 1.415846355055631
Energy: 1.4094318814201732
Energy: 2.1415172128402022
Energy: 1.4741891945589771
Energy: 1.8109809967570432
Energy: 1.4741891945582921
Energy: 1.4080458833967213
Energy: 1.5090784064364098
Energy: 1.9886264885012577
Energy: 1.5090784064384652
Energy: 1.4121732765111035
Energy: 1.407575351581017
Energy: 2.0807590642671867
Energy: 1.4075753515803318
Energy: 1.4773320913217933
Energy: 1.4095499224747257
Energy: 1.8177761094272837
Energy: 1.4095499224740407
Energy: 1.4879634291091282
Energy: 1.6261993148105598
Energy: 2.183004293296571
Energy: 1.6261993148119298
Energy: 1.6322594281230105
Energy: 1.409302058806028
Energy: 1.7264366040864092
Energy: 1.4093020588053427
Energy: 1.6304869965906124
Energy: 1.7099078355861026
Energy: 1.8294204422424833
Energy: 1.7099078355847324
Energy: 1.581621885204622
Energy: 1.3925668227969394
Energy: 1.8272708546823506
Energy: 1.39256682279968
Energy: 1.984671222147694
Energy: 1.3942256987363957
Energy: 1.6345895098751604
Energy: 1.3942256987357105
Energy: 1.9766370904604709
Energy: 1.398156039440133
Energy: 1.425167316781926
Energy: 1.3981560394394477
Energy: 1.7440889290515857
Energy: 1.3936498136334234
Energy: 1.3975276575923667
Energy: 1.3936498136341087
Energy: 2.1844372064482696
Energy: 1.396684265505816
Energy: 1.3946295627095955
Energy: 1.3966842655065013
Energy: 2.0219518256280438
Energy: 1.3948396030133503
Energy: 1.977407834218104
Energy: 1.394839603012665
Energy: 1.630112396333259
Energy: 1.708877273625526
Energy: 1.607728062385339
Energy: 1.7088772736248405
Energy: 1.4190349423995043
Energy: 1.4063006922048211
Energy: 2.082716112997116
Energy: 1.4063006922055061
Energy: 1.6358025361510187
Energy: 1.5030677801391858
Energy: 1.9797146755018655
Energy: 1.5030677801391858
Energy: 1.4723522445334167
Energy: 1.4703438554374229
Energy: 1.9817993335843196
Energy: 1.470343855438793
Energy: 1.4073452885899322
Energy: 1.4060899629766392
Energy: 1.8634260818601338
Energy: 1.4060899629786943
Energy: 1.4077155442230427
Energy: 1.4100191769345995
Energy: 1.7973231811223402
Energy: 1.4100191769339145
Energy: 2.034447714425956
Energy: 1.4719029663163241
Energy: 2.1355436384395716
Energy: 1.4719029663156389
Energy: 1.9876307495933658
Energy: 1.4117397882895817
Energy: 1.4086852449618168
Energy: 1.4117397882875264
Energy: 2.0813712250973464
Energy: 1.406725760746973
Energy: 1.4079604622469093
Energy: 1.4067257607462877
Energy: 1.8232889901826699
Energy: 1.4110855534714293
Energy: 1.4992506571624533
Energy: 1.4110855534707443

minimum gb energy = 1.3925668227969394 eV
minimum distance =  2.23111894024278 Angstroms
sigma value = 89


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

Energy: 2.2966441639897335
Energy: 1.354565003427797
Energy: 1.289678589439542
Energy: 1.2895033499979536
Energy: 2.1402345900762527
Energy: 1.289273571145117
Energy: 1.720357655855668
Energy: 1.289273571145117
Energy: 1.2778101083237527
Energy: 1.4257264601855617
Energy: 1.7386476977114809
Energy: 1.4257264601873543
Energy: 1.2792805693194755
Energy: 1.4277124865113757
Energy: 1.4059781454130773
Energy: 1.4277124865113757
Energy: 1.3277013426364146
Energy: 1.2897262361241448
Energy: 1.7317115368338027
Energy: 1.289726236122352
Energy: 1.289474081641621
Energy: 1.2898747342532728
Energy: 1.7295736449454164
Energy: 1.2898747342550652
Energy: 1.287396774540637
Energy: 1.2882014475109198
Energy: 1.4056021727478833
Energy: 1.288201447509127
Energy: 1.2903715593777587
Energy: 1.2904961923797367
Energy: 2.140113454161578
Energy: 1.2904961923797367
Energy: 1.7202485285443714
Energy: 1.426818111176217
Energy: 2.1421147395470563
Energy: 1.426818111176217
Energy: 1.7955622464594294
Energy: 1.4287216587525324
Energy: 1.7453535376577747
Energy: 1.4287216587525324
Energy: 1.4035693644322431
Energy: 1.426080243840543
Energy: 1.27688152979183
Energy: 1.426080243840543
Energy: 1.7293301546785542
Energy: 1.290719278312781
Energy: 1.4053445175480628
Energy: 1.290719278312781
Energy: 1.7313630271984544
Energy: 1.2911919940262944
Energy: 1.2904921944870595
Energy: 1.2911919940262944
Energy: 1.4040515648229728
Energy: 1.2873277433964885
Energy: 1.2853084201197893
Energy: 1.2873277433964885
Energy: 2.1415952659196775
Energy: 1.2903142238999339
Energy: 1.2903862215271806
Energy: 1.2903142238999339

minimum gb energy = 1.27688152979183 eV
minimum distance =  2.25266319771001 Angstroms
sigma value = 13


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

Energy: 2.046350726574225
Energy: 1.2730159886495187
Energy: 1.6979115270835057
Energy: 1.6936268514693968
Energy: 1.977858700611825
Energy: 1.2415763701262308
Energy: 1.478421966988789
Energy: 1.2415763701239768
Energy: 1.9846221360766612
Energy: 1.241770734205198
Energy: 1.4392699879544906
Energy: 1.2417707342029438
Energy: 1.6245907149582735
Energy: 1.3386414632003123
Energy: 1.504377102091653
Energy: 1.3386414632025665
Energy: 1.8376201219341568
Energy: 1.333840965952663
Energy: 1.8732807223015417
Energy: 1.3338409659519117
Energy: 1.4741793936239498
Energy: 1.2429434500821177
Energy: 1.8719693733468246
Energy: 1.2429434500828689
Energy: 1.471447320590757
Energy: 1.2425570871754215
Energy: 1.8446427912818826
Energy: 1.2425570871731675
Energy: 1.3163972103488133
Energy: 1.2808482981301073
Energy: 2.155387070749185
Energy: 1.2808482981271019
Energy: 1.2523554388285707
Energy: 1.243966879469025
Energy: 2.1230933209428358
Energy: 1.243966879471279
Energy: 1.246812033991225
Energy: 1.2415659495471065
Energy: 2.121216333450956
Energy: 1.241565949548609
Energy: 1.2420987045156076
Energy: 1.249085098334136
Energy: 2.04785462598387
Energy: 1.2490850983371413
Energy: 1.8638326858017245
Energy: 1.241535564927833
Energy: 1.8390225439992105
Energy: 1.2415355649263304
Energy: 1.8765977263989082
Energy: 1.322954923686825
Energy: 1.864998345358179
Energy: 1.3229549236853226
Energy: 1.8276771442759776
Energy: 1.2402679765083864
Energy: 1.6267161003397015
Energy: 1.240267976506884
Energy: 2.082731755198129
Energy: 1.2431345136288448
Energy: 1.7108210216765303
Energy: 1.24313451363185
Energy: 2.089950444245521
Energy: 1.2442170799768173
Energy: 1.2590143436340473
Energy: 1.2442170799775687
Energy: 1.8468571615799685
Energy: 1.241671690175066
Energy: 1.2424992880089307
Energy: 1.2416716901765688
Energy: 2.0497348896487724
Energy: 1.2430755248885552
Energy: 1.25250743550762
Energy: 1.2430755248885552
Energy: 2.220734853370992
Energy: 1.2437595754053403
Energy: 1.5113381905205403
Energy: 1.2437595754053403
Energy: 2.1214113768900686
Energy: 1.2401022395097923
Energy: 1.4346977371567784
Energy: 1.2401022395127976
Energy: 1.6207365697561038
Energy: 1.246810143230312
Energy: 1.5211697255806569
Energy: 1.2468101432288092
Energy: 1.833188224432627
Energy: 1.3288168473268243
Energy: 1.8706299282580814
Energy: 1.328816847331332
Energy: 1.4822808651067814
Energy: 1.2428705206839954
Energy: 1.8409896105812535
Energy: 1.242870520682493
Energy: 1.2437581028144473
Energy: 1.2403577174535088
Energy: 1.8337998470240606
Energy: 1.2403577174587679
Energy: 1.4631591137724274
Energy: 1.2794659079854414
Energy: 2.135912037036225
Energy: 1.2794659079809334
Energy: 1.2827234101445215
Energy: 1.2781838732328037
Energy: 2.144197566892524
Energy: 1.278183873231301
Energy: 1.2410871245394572
Energy: 1.2402948816830284
Energy: 1.8400674910664725
Energy: 1.240294881684531
Energy: 1.2414132365823223
Energy: 1.2452991240253413
Energy: 2.052225540282479
Energy: 1.2452991240245896
Energy: 1.7884191172286652
Energy: 1.2421541649560202
Energy: 2.265210355540031
Energy: 1.2421541649522634
Energy: 1.4331563724683947
Energy: 1.3284224214102538
Energy: 1.842745166322536
Energy: 1.3284224214102538
Energy: 1.8475307200695386
Energy: 1.3349650446624843
Energy: 1.6226232116721757
Energy: 1.334965044663987
Energy: 2.0898978996419313
Energy: 1.242722606868486
Energy: 1.8441229441472673
Energy: 1.2427226068714912
Energy: 2.169370380070904
Energy: 1.244134142042442
Energy: 1.2571383258128221
Energy: 1.2441341420431935
Energy: 1.8307218532646066
Energy: 1.2402323383287566
Energy: 1.2411992700249577
Energy: 1.2402323383310105
Energy: 2.225813237655238
Energy: 1.241871384231833
Energy: 1.2498336011115674
Energy: 1.241871384233336

minimum gb energy = 1.2401022395097923 eV
minimum distance =  2.24347124295363 Angstroms
sigma value = 37


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

Energy: 2.0019006758075144
Energy: 1.2565887405318439
Energy: 1.171872735217801
Energy: 1.1716429146110114
Energy: 2.169283342882266
Energy: 1.1707577966203038
Energy: 1.4979747743160376
Energy: 1.1707577966203038
Energy: 1.8994196891726844
Energy: 1.1690813113805538
Energy: 1.5031947414184927
Energy: 1.1690813113805538
Energy: 1.9616072027133789
Energy: 1.3141564782303805
Energy: 1.7533768037944357
Energy: 1.3141564782316733
Energy: 1.8295816372772584
Energy: 1.3137736542847345
Energy: 1.6319587031831557
Energy: 1.3137736542847345
Energy: 1.300426869333946
Energy: 1.1598712221080039
Energy: 1.8959080866016929
Energy: 1.1598712221067113
Energy: 1.3004415256129613
Energy: 1.1608004874092839
Energy: 1.7612083243899301
Energy: 1.1608004874079914
Energy: 1.38793029473488
Energy: 1.1367985603384962
Energy: 2.1528966007152643
Energy: 1.1367985603384962
Energy: 1.3093992223906512
Energy: 1.163021892288964
Energy: 2.1498954992951953
Energy: 1.163021892288964
Energy: 1.3183200408257782
Energy: 1.1338331523875356
Energy: 1.7595552989033436
Energy: 1.1338331523875356
Energy: 1.4407468981298777
Energy: 1.441189334229682
Energy: 1.7965929152549043
Energy: 1.441189334229682
Energy: 1.6344461927067861
Energy: 1.1337660818671478
Energy: 1.759934631453985
Energy: 1.1337660818671478
Energy: 1.6466203022206074
Energy: 1.1595684651597549
Energy: 1.899649035779562
Energy: 1.1595684651584621
Energy: 1.650125580811254
Energy: 1.2729389284410897
Energy: 1.9603896894260715
Energy: 1.2729389284410897
Energy: 1.6319587031844482
Energy: 1.3034164689722003
Energy: 1.7611590750891521
Energy: 1.3034164689709078
Energy: 1.8959080866016929
Energy: 1.3032579886822069
Energy: 1.5276760995203051
Energy: 1.3032579886822069
Energy: 1.830972316011071
Energy: 1.1690705446615715
Energy: 1.3004232267162785
Energy: 1.169070544660279
Energy: 2.152896600716557
Energy: 1.1699140900151277
Energy: 1.160724755147276
Energy: 1.169914090013835
Energy: 2.1498954992951953
Energy: 1.1738997427216185
Energy: 1.1699260743673978
Energy: 1.1738997427216185
Energy: 2.0735277664422584
Energy: 1.17088093910777
Energy: 1.1702398841535204
Energy: 1.17088093910777

minimum gb energy = 1.1337660818671478 eV
minimum distance =  2.23037463830224 Angstroms
sigma value = 25


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

Energy: 2.2900602926808413
Energy: 1.1125559272823402
Energy: 1.0398489443615557
Energy: 1.0392070103120183
Energy: 2.0622882973938093
Energy: 1.036943563804065
Energy: 1.2960363014543896
Energy: 1.0369435638030555
Energy: 2.0836801868604113
Energy: 1.0358412336168148
Energy: 1.286624873494041
Energy: 1.0358412336177782
Energy: 1.6740959080841358
Energy: 1.039981118899159
Energy: 1.6156538916711245
Energy: 1.0399811189001684
Energy: 1.9617976817336675
Energy: 1.1486076993631424
Energy: 1.8055599476208182
Energy: 1.1486076993651613
Energy: 1.6736095060885925
Energy: 1.1476032834234193
Energy: 1.789892177202507
Energy: 1.14760328342241
Energy: 1.668989617247087
Energy: 1.0323053400995683
Energy: 1.908509732751317
Energy: 1.0323053400985591
Energy: 1.301844677030887
Energy: 1.0327779880279693
Energy: 1.8787620422735007
Energy: 1.0327779880279693
Energy: 1.3019049101967461
Energy: 1.0350247183676666
Energy: 2.1813420995889907
Energy: 1.0350247183676666
Energy: 1.3052757140008329
Energy: 1.0323248349032714
Energy: 1.9820432028801753
Energy: 1.032324834902262
Energy: 1.1490851408040337
Energy: 1.0326773428561977
Energy: 1.9743140290176215
Energy: 1.0326773428572071
Energy: 1.1608499132241432
Energy: 1.0334605490660211
Energy: 1.982316513680361
Energy: 1.0334605490670303
Energy: 1.160023200863669
Energy: 1.0206134724575189
Energy: 1.9952005799705819
Energy: 1.0206134724575189
Energy: 1.2201483663762058
Energy: 1.0180104777297323
Energy: 1.9402395947618485
Energy: 1.0180104777287229
Energy: 1.4060704884842496
Energy: 1.0182307973630629
Energy: 1.949770889885134
Energy: 1.0182307973630629
Energy: 1.4007690163014976
Energy: 1.0341216078369737
Energy: 2.0499156298349366
Energy: 1.0341216078369737
Energy: 1.7690759680261774
Energy: 1.0342168692615634
Energy: 2.079101226297889
Energy: 1.0342168692625728
Energy: 1.3972117964485047
Energy: 1.1496551351738187
Energy: 1.7683174574715494
Energy: 1.1496551351738187
Energy: 1.7830395992569457
Energy: 1.147515316079824
Energy: 1.6706393739735983
Energy: 1.147515316079824
Energy: 1.9675944284505158
Energy: 1.1445277340881599
Energy: 1.6666968196373393
Energy: 1.144527734089169
Energy: 1.975862823303404
Energy: 1.0398381913725412
Energy: 1.2971609106137838
Energy: 1.0398381913735504
Energy: 2.1641912956863774
Energy: 1.034917203371664
Energy: 1.1488600265632676
Energy: 1.0349172033736829
Energy: 2.039524414743035
Energy: 1.039325393689238
Energy: 1.2984393177351872
Energy: 1.0393253936902473
Energy: 1.9777221462969994
Energy: 1.0352604345403185
Energy: 1.0366363999479673
Energy: 1.035260434539309
Energy: 1.9675508757529332
Energy: 1.0365908708851705
Energy: 1.0385873399099368
Energy: 1.0365908708851705
Energy: 2.040044801538927
Energy: 1.051663550911131
Energy: 1.046881512510412
Energy: 1.0516635509081027

minimum gb energy = 1.0180104777287229 eV
minimum distance =  2.23907485139876 Angstroms
sigma value = 41


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

Energy: 2.3292359111803527
Energy: 0.9941174309120848
Energy: 0.9318382264781223
Energy: 0.9339039563773506
Energy: 2.2290268213618383
Energy: 0.9292937808220517
Energy: 1.1438550386673574
Energy: 0.9292937808220517
Energy: 2.0839574498538456
Energy: 0.9289380862327483
Energy: 1.1392353490368154
Energy: 0.9289380862310931
Energy: 1.7246602829377402
Energy: 0.9347288635328267
Energy: 1.5365216900006553
Energy: 0.9347288635328267
Energy: 2.053392218384444
Energy: 0.9277138219429547
Energy: 1.5550020359058003
Energy: 0.9277138219437822
Energy: 1.7501805440058533
Energy: 1.2937890880822747
Energy: 1.548897286510169
Energy: 1.2937890880806198
Energy: 1.7617269023343023
Energy: 1.0246491260664568
Energy: 1.884148178799941
Energy: 1.0246491260672843
Energy: 1.7296793243743231
Energy: 1.0228656573184156
Energy: 1.5783235165571952
Energy: 1.022865657317588
Energy: 1.3418659870003387
Energy: 1.2930354864931757
Energy: 1.917113373996498
Energy: 1.2930354864931757
Energy: 1.3468275101974156
Energy: 0.9277282374501702
Energy: 2.076251621413655
Energy: 0.9277282374485151
Energy: 1.1434719049489601
Energy: 0.9361225733602898
Energy: 2.0742898671107475
Energy: 0.9361225733586346
Energy: 1.1325172910912251
Energy: 0.9291508252513397
Energy: 2.238920076713509
Energy: 0.9291508252513397
Energy: 1.1497939286508692
Energy: 0.9316124426351353
Energy: 2.2376719029247365
Energy: 0.931612442635963
Energy: 0.9298335795410969
Energy: 0.9290548709899176
Energy: 1.8818903282446642
Energy: 0.9290548709899176
Energy: 0.9325824200624174
Energy: 0.929361578285221
Energy: 2.05355469937734
Energy: 0.929361578285221
Energy: 0.9373286444990887
Energy: 0.9309693698801225
Energy: 2.084665225547983
Energy: 0.9309693698801225
Energy: 1.1516598521966916
Energy: 0.9339133273429352
Energy: 2.045107442418254
Energy: 0.9339133273421076
Energy: 1.130940552460757
Energy: 0.927683886931919
Energy: 2.051090454360388
Energy: 0.9276838869302639
Energy: 1.1296397155430467
Energy: 0.932301433320442
Energy: 1.725839824609532
Energy: 0.9323014333196145
Energy: 1.5379098181228685
Energy: 0.9307823236605337
Energy: 1.723882385089347
Energy: 0.930782323659706
Energy: 1.5756901240452503
Energy: 0.931205746969765
Energy: 1.886217679565151
Energy: 0.9312057469714201
Energy: 1.5391439892491228
Energy: 0.9302310734141594
Energy: 1.7188367656600538
Energy: 0.9302310733967815
Energy: 1.917521265367986
Energy: 1.0194734917618546
Energy: 1.7478920305440662
Energy: 1.0194734917618546
Energy: 1.5478150649230982
Energy: 1.0208762914507372
Energy: 1.5406928562353301
Energy: 1.0208762914507372
Energy: 1.8850494653977194
Energy: 0.9299349464907438
Energy: 1.3310197569761826
Energy: 0.9299349464932264
Energy: 1.9215322267567168
Energy: 0.930219201362109
Energy: 1.5524656955392637
Energy: 0.9302192013612814
Energy: 1.9260916918862796
Energy: 0.9328686320547589
Energy: 1.1432318076533732
Energy: 0.9328686320531038
Energy: 2.0525119165859866
Energy: 1.1320498200038218
Energy: 1.129121968666846
Energy: 1.1320498270305532
Energy: 1.884806886233857
Energy: 0.936765176127444
Energy: 1.1434792526689892
Energy: 0.9367651761266166
Energy: 1.8914594589845002
Energy: 0.9345582869751565
Energy: 0.9292300372961289
Energy: 0.9345582869751565
Energy: 2.2191718439031662
Energy: 0.9292764682668914
Energy: 0.9314942307004627
Energy: 0.9292764682668914
Energy: 2.04647518397385
Energy: 0.9361567341628009
Energy: 0.929566675288962
Energy: 0.9361567341628009

minimum gb energy = 0.9276838869302639 eV
minimum distance =  2.24866866470762 Angstroms
sigma value = 15


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

Energy: 2.0231901838096547
Energy: 0.9161993295327532
Energy: 1.398730830122544
Energy: 0.8619451151067855
Energy: 2.273738280570212
Energy: 0.8589883120609865
Energy: 1.0341818462902221
Energy: 0.8589883120623887
Energy: 2.1506739586627384
Energy: 0.8569243564658214
Energy: 1.033469562541921
Energy: 0.8569243564672235
Energy: 1.8806848628474508
Energy: 0.8618654482168435
Energy: 1.3929965204857233
Energy: 0.8618654482154413
Energy: 1.989066088872836
Energy: 0.8536803336241242
Energy: 1.3877120863884165
Energy: 0.8536803336311345
Energy: 1.8623851159275446
Energy: 0.8611545538841137
Energy: 1.3759614640139466
Energy: 0.8611545538827117
Energy: 1.5496052024108222
Energy: 0.8559411803707457
Energy: 1.6931031304539854
Energy: 0.8559411803749519
Energy: 1.7023861554249307
Energy: 0.9407189419157229
Energy: 1.3973850614716212
Energy: 0.9407189419164239
Energy: 1.5668971949260309
Energy: 0.9322432386636372
Energy: 1.7105196406934609
Energy: 0.9322432386636372
Energy: 1.5646355995374108
Energy: 0.9331603635062771
Energy: 2.0005856878372335
Energy: 0.9331603635013698
Energy: 1.3790747415325175
Energy: 0.8568564391387127
Energy: 1.811926212670858
Energy: 0.8568564391408159
Energy: 1.19728679153254
Energy: 0.8544195848782434
Energy: 2.0007258274416997
Energy: 0.8544195848789445
Energy: 1.3889428311103558
Energy: 0.855574651270397
Energy: 2.00382424264149
Energy: 0.855574651270397
Energy: 1.0340451134419475
Energy: 0.8621623549342019
Energy: 1.7003854406313976
Energy: 0.8621623549327999
Energy: 1.0266496206839733
Energy: 0.8546115635437048
Energy: 2.2631168095842935
Energy: 0.8546115635423028
Energy: 1.0485052014848926
Energy: 0.8600164160105382
Energy: 2.008884527748998
Energy: 0.8600164160112392
Energy: 0.8558318769022418
Energy: 0.8628711673032858
Energy: 1.9839513862641311
Energy: 0.8628711673032858
Energy: 0.8552257241042792
Energy: 0.856219198310707
Energy: 2.1173011792802567
Energy: 0.8562191983128101
Energy: 0.8560641145217955
Energy: 0.8597633117219752
Energy: 1.865117385803114
Energy: 0.859763311721274
Energy: 1.0356480135876016
Energy: 0.8583766577942716
Energy: 2.117113530335269
Energy: 0.8583766577949727
Energy: 1.0227836053523458
Energy: 0.8550979512556413
Energy: 2.1189832691388824
Energy: 0.8550979512549403
Energy: 1.0229612869847702
Energy: 0.8608441157906477
Energy: 1.873172768960904
Energy: 0.8608441157920498
Energy: 1.3772030230870775
Energy: 0.8557900752281653
Energy: 1.8577849593019433
Energy: 0.8557900752281653
Energy: 1.3843473021815176
Energy: 0.8579742505589495
Energy: 1.9770495910039254
Energy: 0.8579742505603516
Energy: 1.3922487485028945
Energy: 0.8555312668148836
Energy: 1.5984752993351705
Energy: 0.8555312668148836
Energy: 1.7155065205380282
Energy: 0.9326133223282039
Energy: 1.9781760633195535
Energy: 0.9326133221236309
Energy: 1.3732203428925012
Energy: 0.9329545809415091
Energy: 1.7012353807844336
Energy: 0.9329545809408081
Energy: 1.702803267216714
Energy: 0.9339076078948261
Energy: 1.600096975433394
Energy: 0.9339076078899188
Energy: 1.720060038702906
Energy: 0.861791361880144
Energy: 1.6933557090072069
Energy: 0.861791361881546
Energy: 1.7133130672864672
Energy: 0.8551993912742923
Energy: 1.3772893006659546
Energy: 0.8551993912756944
Energy: 1.9878780967348224
Energy: 0.8535119434251938
Energy: 1.1978579049541118
Energy: 0.8535119434244927
Energy: 1.7015705868005238
Energy: 0.8612090801012156
Energy: 1.3905816151137382
Energy: 0.8612090801068237
Energy: 2.0051809117240462
Energy: 0.8576141303407708
Energy: 1.0348611511593129
Energy: 0.8576141303421728
Energy: 2.1222697770647536
Energy: 0.8583040988520413
Energy: 1.0378259408375607
Energy: 0.8583040988527424
Energy: 2.2434423282230345
Energy: 0.86756070181624
Energy: 0.9194590942009768
Energy: 0.867560701816941
Energy: 2.2803978060935814
Energy: 0.8573943768185398
Energy: 0.8627589659223177
Energy: 0.8573943768185398
Energy: 2.1446013000439876
Energy: 0.8579466309181712
Energy: 0.8644927094740498
Energy: 0.8579466309167693

minimum gb energy = 0.8535119434244927 eV
minimum distance =  2.24336673460844 Angstroms
sigma value = 85


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

Energy: 2.1566959691494927
Energy: 0.8730463545483299
Energy: 0.7788069791977416
Energy: 0.7755310708998794
Energy: 2.1481203651443446
Energy: 0.7771599583150811
Energy: 0.9214933205605983
Energy: 0.7771599583156892
Energy: 1.9232471885443827
Energy: 0.776402889564281
Energy: 0.9210310659615907
Energy: 0.7764028895654971
Energy: 1.6596060116247837
Energy: 0.774859071721366
Energy: 1.2342616441754484
Energy: 0.7748590717195419
Energy: 2.0289628370411585
Energy: 0.7749340775066123
Energy: 1.241202076685167
Energy: 0.7749340775084361
Energy: 1.6624107541675681
Energy: 0.7751712457671842
Energy: 1.234845697010491
Energy: 0.7751712457677924
Energy: 1.6608529896770488
Energy: 0.7752358448036261
Energy: 1.5196455203941974
Energy: 0.7752358448030181
Energy: 1.7804878633512702
Energy: 0.7750494560278912
Energy: 1.2438578852948141
Energy: 0.7750494560248511
Energy: 1.6635598839574166
Energy: 0.7746336735942098
Energy: 1.535093275074866
Energy: 0.7746336735948178
Energy: 1.667569636381025
Energy: 1.115193727803659
Energy: 1.7957874765495072
Energy: 1.115193727804267
Energy: 1.5187384892087838
Energy: 0.7745350437368559
Energy: 1.6009987684531843
Energy: 0.7745350437362478
Energy: 1.4053667089493227
Energy: 0.7753798246220824
Energy: 1.796336104655607
Energy: 0.7753798246232984
Energy: 1.5313142064715912
Energy: 0.7748305156480884
Energy: 1.7940472865719908
Energy: 0.7748305156486963
Energy: 1.233755820691732
Energy: 0.775325095280084
Energy: 1.5421784867633226
Energy: 0.77532509527826
Energy: 1.0676264598487224
Energy: 0.7746061608989891
Energy: 2.027149019325709
Energy: 0.7746061608989891
Energy: 1.2371729595551801
Energy: 0.7773055772123121
Energy: 1.7938678624440791
Energy: 0.777305577210488
Energy: 0.9307056701409042
Energy: 0.7787899086360661
Energy: 1.7817169570943028
Energy: 0.7787899086360661
Energy: 0.9212610028235798
Energy: 0.7751215982655929
Energy: 2.150051593554534
Energy: 0.775121598264985
Energy: 0.9309026255936738
Energy: 0.7753868875313276
Energy: 2.021227261154323
Energy: 0.7753868875313276
Energy: 0.7756868533448267
Energy: 0.7758483863124361
Energy: 2.0212196249770735
Energy: 0.7758483863130442
Energy: 0.7761814612279656
Energy: 0.7753414912663449
Energy: 2.1502079884037206
Energy: 0.775341491266953
Energy: 0.7757284228168921
Energy: 0.7759034485242207
Energy: 1.8991845459885288
Energy: 0.7759034485230047
Energy: 0.9315632649320322
Energy: 0.7752301994420399
Energy: 2.143898306348741
Energy: 0.7752301994420399
Energy: 0.9248668532299058
Energy: 0.7750321813010692
Energy: 2.1506849860538915
Energy: 0.7750321813016772
Energy: 0.9221191081718785
Energy: 0.7748795391941985
Energy: 1.7808400178565318
Energy: 0.7748795391935903
Energy: 1.2430298409540357
Energy: 0.7753262592441063
Energy: 2.178214978541316
Energy: 0.7753262592441063
Energy: 1.241284464990541
Energy: 0.7749103345557308
Energy: 1.924347932084531
Energy: 0.7749103345557308
Energy: 1.5182953191071484
Energy: 0.7758545248184077
Energy: 1.7851508321081018
Energy: 0.7758545248177995
Energy: 1.5368676164221995
Energy: 0.7754452338230048
Energy: 1.9165229850564804
Energy: 0.7754452338236129
Energy: 1.5341773484810113
Energy: 0.7758386311788344
Energy: 1.6638676335363511
Energy: 0.7758386311946427
Energy: 1.781530007081769
Energy: 1.1218192117900778
Energy: 1.4205198041926588
Energy: 1.1218192117900778
Energy: 1.5325220753419215
Energy: 0.7748129568780234
Energy: 1.6672418694749538
Energy: 0.7748129568780234
Energy: 1.795711041170113
Energy: 0.7760773597990229
Energy: 1.4002938717451612
Energy: 0.776077359805103
Energy: 2.0370131719946425
Energy: 0.7753342119030089
Energy: 1.4016680114120807
Energy: 0.7753342118087959
Energy: 1.5980088382846667
Energy: 0.7764478197180799
Energy: 1.233753346415304
Energy: 0.7764478197192957
Energy: 2.051892762557194
Energy: 0.7744691469784395
Energy: 1.2410824999356447
Energy: 0.7744691469778316
Energy: 2.050382348640149
Energy: 0.7753864943099003
Energy: 1.240289955774588
Energy: 0.7753864943092921
Energy: 1.792099223087581
Energy: 0.7748728009035758
Energy: 0.923233308176169
Energy: 0.7748728009041838
Energy: 2.2911806891149036
Energy: 0.7747923442455099
Energy: 0.9234650717808575
Energy: 0.7747923442449021
Energy: 2.022716737663505
Energy: 0.7754474653358864
Energy: 0.9311963321061933
Energy: 0.7754474653358864
Energy: 1.7718571482861545
Energy: 0.7752542735926593
Energy: 0.775809610086486
Energy: 0.7752542735926593
Energy: 2.1514762158501974
Energy: 0.7757357952473908
Energy: 0.7756113628456648
Energy: 0.7757357952473908
Energy: 1.9000779458861137
Energy: 0.7754961596300814
Energy: 0.7753619283415597
Energy: 0.7754961596300814

minimum gb energy = 0.7744691469778316 eV
minimum distance =  2.24827150568086 Angstroms
sigma value = 113


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

Energy: 0.02046603102573373
Energy: 0.021639831642598372
Energy: 1.701364114576233
Energy: 0.759424761978047
Energy: 0.021657590699737994
Energy: 0.1775337703985962
Energy: 1.1179909421373606
Energy: 0.1775337703981288
Energy: 0.021256844343981326
Energy: 0.1748846089565663
Energy: 1.1154812711810462
Energy: 0.1748846089570337
Energy: 0.023114921799727087
Energy: 0.1752748579605053
Energy: 1.1122793453689275
Energy: 0.1752748579605053
Energy: 1.1171108055050485
Energy: 0.17507087621508363
Energy: 1.116295285201669
Energy: 0.17507087621555106
Energy: 0.021084433665576132
Energy: 0.17455626813661748
Energy: 1.11551742405275
Energy: 0.17455626813708483

minimum gb energy = 0.02046603102573373 eV
minimum distance =  2.45865492298262 Angstroms
sigma value = 1