Model name: model_name=SNAP_LiHuChen_2018_NiMo__MO_468686727341_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=3.5222107768058777
cohesive_energy=2.8494703186615773
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: -2.93166306676502 eV

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

Energy: 0.011628217026229286
Energy: 0.01216980217200865
Energy: 1.3112055490408439
Energy: 0.01216980217200865
Energy: 0.01216980217200865
Energy: 1.4750049606508047
Energy: 0.01216980217200865
Energy: 1.4750049606508047
Energy: 1.3112055490408439
Energy: 0.01216980217200865
Energy: 0.011628217026229286
Energy: 0.01216980217200865
Energy: 0.01216980217200865
Energy: 1.4750049606508047
Energy: 0.01216980217200865
Energy: 1.4750049606508047

minimum gb energy = 0.011628217026229286 eV
minimum distance =  2.47365236895434 Angstroms
sigma value = 1


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

Energy: 1.461828793769083
Energy: 1.5408269603934857
Energy: 1.2962460443424806
Energy: 1.5408269603934857
Energy: 1.3635371378468526
Energy: 1.4847000661415468
Energy: 1.3699665980477955
Energy: 1.4847000661415468
Energy: 1.3023535451537205
Energy: 1.5239631959825033
Energy: 1.3440788097093643
Energy: 1.5239631959825033
Energy: 1.3463929818489686
Energy: 1.4791986704271625
Energy: 1.3295632573857123
Energy: 1.4791986704279638
Energy: 1.348810311348045
Energy: 1.5469548324154265
Energy: 1.3495828011347986
Energy: 1.5469548324154265
Energy: 1.3139498074218543
Energy: 1.665524783489723
Energy: 1.2925619621874498
Energy: 1.665524783489723
Energy: 1.3942899208729953
Energy: 1.5232360655752153
Energy: 1.3157196295462796
Energy: 1.5232360655752153
Energy: 1.259571052787694
Energy: 1.5515758891547242
Energy: 1.2861085559004843
Energy: 1.5515758891555254
Energy: 1.332004970280853
Energy: 1.6418119717287458
Energy: 1.3670465382626085
Energy: 1.6418119717279445
Energy: 1.2803532816267296
Energy: 1.5227942486725687
Energy: 1.2503448433565418
Energy: 1.5227942486725687
Energy: 1.372638983509713
Energy: 1.4774733491736218
Energy: 1.3317091139228658
Energy: 1.4774733491736218
Energy: 1.2920765125000728
Energy: 1.548793162151019
Energy: 1.30222417420292
Energy: 1.548793162151019
Energy: 1.3674138687157822
Energy: 1.5186962772503256
Energy: 1.3934454580319224
Energy: 1.5186962772503256
Energy: 1.344114038317481
Energy: 1.5262146991983019
Energy: 1.3125736027437915
Energy: 1.5262146991983019
Energy: 1.3422574594821246
Energy: 1.5414258884174226
Energy: 1.3626583402454824
Energy: 1.5414258884174226
Energy: 1.3413764321548522
Energy: 1.5415436409696517
Energy: 1.3624760674743925
Energy: 1.5415436409704528
Energy: 1.3439699284423285
Energy: 1.5241058925898288
Energy: 1.2904789137116042
Energy: 1.5241058925898288
Energy: 1.3699351708267264
Energy: 1.4621652787852875
Energy: 1.387317126855901
Energy: 1.4621652787852875
Energy: 1.27347212911814
Energy: 1.5472721783702417
Energy: 1.3004362164266101
Energy: 1.5472721783702417
Energy: 1.3881377429641253
Energy: 1.3492217497125096
Energy: 1.335642574691088
Energy: 1.3492217497125096
Energy: 1.2853403017934006
Energy: 1.5239143100594192
Energy: 1.2574640799532044
Energy: 1.5239143100594192
Energy: 1.3299491462126243
Energy: 1.6866206477558285
Energy: 1.3605410364939325
Energy: 1.6866206477558285
Energy: 1.3450084938577325
Energy: 1.5475478336009332
Energy: 1.2956437115136612
Energy: 1.5475478336009332
Energy: 1.3232691416580082
Energy: 1.5235491232943934
Energy: 1.3150979934220435
Energy: 1.5235491232943934
Energy: 1.3159962861791488
Energy: 1.6640157790274543
Energy: 1.391337689498275
Energy: 1.6640157790274543
Energy: 1.3291086250385509
Energy: 1.5511608071673035
Energy: 1.3114418521022997
Energy: 1.5511608071673035
Energy: 1.3527627576696974
Energy: 1.674696691914972
Energy: 1.3310885902807819
Energy: 1.674696691914972
Energy: 1.3057694405417368
Energy: 1.5196392640274277
Energy: 1.3433643073626136
Energy: 1.5196392640274277
Energy: 1.3621783297704817
Energy: 1.5850114067121464
Energy: 1.3408455118471945
Energy: 1.5850114067121464
Energy: 1.3732231987929489
Energy: 1.5423638479001358
Energy: 1.2929188459692587
Energy: 1.5423638479001358
Energy: 1.3591887835302607
Energy: 1.5248092922632925
Energy: 1.3672091617700242
Energy: 1.5248092922632925
Energy: 1.3236534478935245
Energy: 1.519057029068762
Energy: 1.3449360186038133
Energy: 1.519057029068762
Energy: 1.3489831404789587
Energy: 1.4782935074959958
Energy: 1.3298765880277863
Energy: 1.4782935074959958

minimum gb energy = 1.2503448433565418 eV
minimum distance =  2.2426899487636 Angstroms
sigma value = 1


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

Energy: 1.5499246252794288
Energy: 1.643955415977526
Energy: 1.3465986318692962
Energy: 1.643955415977526
Energy: 1.406197982085262
Energy: 1.5595744914335912
Energy: 1.4214669428110498
Energy: 1.5595744914335912
Energy: 1.3663608281326922
Energy: 1.644317754760688
Energy: 1.400522292599678
Energy: 1.644317754760688
Energy: 1.3506560718958902
Energy: 1.4633915498817984
Energy: 1.3735089971143724
Energy: 1.4633915498817984
Energy: 1.350403068141056
Energy: 1.6089540023553521
Energy: 1.4154256973648163
Energy: 1.6089540023553521
Energy: 1.3766949360488596
Energy: 1.61009839870614
Energy: 1.3358217473240948
Energy: 1.61009839870614
Energy: 1.4032653092562648
Energy: 1.3885454544095457
Energy: 1.3826515134241977
Energy: 1.3885454544095457
Energy: 1.303994094686823
Energy: 1.6449386304816682
Energy: 1.3361145912892194
Energy: 1.6449386304816682
Energy: 1.3772317992828138
Energy: 1.430912458165994
Energy: 1.442158359566933
Energy: 1.430912458165994
Energy: 1.3501687171829186
Energy: 1.6447447673218614
Energy: 1.3326937410161839
Energy: 1.6447447673218614
Energy: 1.4032961371508124
Energy: 1.4012195640095109
Energy: 1.4333566901203336
Energy: 1.4012195640104244
Energy: 1.3405810547873531
Energy: 1.6258167631512161
Energy: 1.4132131403180592
Energy: 1.6258167631512161
Energy: 1.4536538560815107
Energy: 1.6045031553031168
Energy: 1.403848299651374
Energy: 1.6045031553031168
Energy: 1.4589611649461556
Energy: 1.6044984597476961
Energy: 1.4154278816876016
Energy: 1.6044984597486098
Energy: 1.3403726466831294
Energy: 1.6258230258545467
Energy: 1.4027134866649473
Energy: 1.6258230258545467
Energy: 1.4032679270227215
Energy: 1.4016569137059163
Energy: 1.3901020904251584
Energy: 1.4016569137059163
Energy: 1.3500050055364432
Energy: 1.6448357324581424
Energy: 1.3321583941041735
Energy: 1.6448357324581424
Energy: 1.3758943391532021
Energy: 1.4308677994224428
Energy: 1.4421333467737414
Energy: 1.4308677994224428
Energy: 1.3040047594661108
Energy: 1.6449536579707111
Energy: 1.3364107453063439
Energy: 1.6449536579707111
Energy: 1.4034653385339086
Energy: 1.388313274498101
Energy: 1.3646303758262992
Energy: 1.388313274498101
Energy: 1.3762124136392535
Energy: 1.610082051643942
Energy: 1.3860442985066423
Energy: 1.610082051643942
Energy: 1.3505007196275858
Energy: 1.6093297037545147
Energy: 1.3889140866257663
Energy: 1.6093297037545147
Energy: 1.3506321537237862
Energy: 1.4637020096353377
Energy: 1.3888980041122747
Energy: 1.4637020096353377
Energy: 1.366331752143653
Energy: 1.6442830631211933
Energy: 1.4022821541810087
Energy: 1.6442830631202798
Energy: 1.4063469136201943
Energy: 1.5595966634542793
Energy: 1.4212853666590237
Energy: 1.5595966634542793
Energy: 1.5499246252794288
Energy: 1.643955415977526
Energy: 1.367867823409405
Energy: 1.643955415977526
Energy: 1.406197982085262
Energy: 1.5595744914335912
Energy: 1.4214669428110498
Energy: 1.5595744914335912
Energy: 1.3663608281326922
Energy: 1.644317754760688
Energy: 1.400522292599678
Energy: 1.644317754760688
Energy: 1.3506560718958902
Energy: 1.4633915498817984
Energy: 1.3644344038068594
Energy: 1.4633915498817984

minimum gb energy = 1.303994094686823 eV
minimum distance =  2.16803023935527 Angstroms
sigma value = 25


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

Energy: 1.487329404559397
Energy: 1.7182517850937848
Energy: 1.4266366760206508
Energy: 1.7182517850937848
Energy: 1.50018619460319
Energy: 1.5677859910553102
Energy: 1.4572720362793585
Energy: 1.5677859910553102
Energy: 1.4403507356132483
Energy: 1.7785093081194645
Energy: 1.4494419628157817
Energy: 1.7785093081194645
Energy: 1.4220823692296884
Energy: 1.636738409884624
Energy: 1.4316730883110855
Energy: 1.636738409884624
Energy: 1.432935311758299
Energy: 1.7254413636494719
Energy: 1.4682528741979899
Energy: 1.7254413636494719
Energy: 1.4542913546129639
Energy: 1.7769402612129666
Energy: 1.5921515599940883
Energy: 1.7769402612129666
Energy: 1.500285846067542
Energy: 1.4498255860418603
Energy: 1.4784222671733955
Energy: 1.4498255860407983
Energy: 1.4365953095691582
Energy: 1.725453716879733
Energy: 1.3901069708679437
Energy: 1.725453716879733
Energy: 1.477801849347354
Energy: 1.5909177188456418
Energy: 1.5002915197960165
Energy: 1.5909177188456418
Energy: 1.4411143021726616
Energy: 1.7768426215648763
Energy: 1.4126439710578786
Energy: 1.7768426215659383
Energy: 1.4737936366587931
Energy: 1.717879237115128
Energy: 1.4996132187906936
Energy: 1.717879237115128
Energy: 1.4648133677700326
Energy: 1.7178547426740296
Energy: 1.4391229322586763
Energy: 1.7178547426740296
Energy: 1.449820788161872
Energy: 1.622776617329381
Energy: 1.4145900267524945
Energy: 1.622776617329381
Energy: 1.4792694555479098
Energy: 1.4498250854710162
Energy: 1.499525853694495
Energy: 1.4498250854710162
Energy: 1.382221739016002
Energy: 1.727606714810967
Energy: 1.3869717946974405
Energy: 1.727606714810967
Energy: 1.499914996956662
Energy: 1.4522637667748852
Energy: 1.4327175441047761
Energy: 1.4522637667748852
Energy: 1.3637164421750754
Energy: 1.7792080009958842
Energy: 1.3638316623204998
Energy: 1.7792080009958842
Energy: 1.4313481300022317
Energy: 1.6248843983803314
Energy: 1.4750996297688912
Energy: 1.6248843983792693
Energy: 1.4004974023717678
Energy: 1.636938616368836
Energy: 1.4330982150917144
Energy: 1.636938616368836
Energy: 1.4994422693217409
Energy: 1.7767044801548795
Energy: 1.455734532843866
Energy: 1.7767044801548795
Energy: 1.4732842874814118
Energy: 1.5935981248621813
Energy: 1.438876746233425
Energy: 1.5935981248621813
Energy: 1.4903610006130454
Energy: 1.7211830037308
Energy: 1.444550008266937
Energy: 1.7211830037308
Energy: 1.500939129019534
Energy: 1.6371810530829431
Energy: 1.4565925229971968
Energy: 1.6371810530829431
Energy: 1.4377544591783897
Energy: 1.7773589927669375
Energy: 1.4409540496968187
Energy: 1.7773589927669375
Energy: 1.4997224178174977
Energy: 1.475549696984725
Energy: 1.4308309345186403
Energy: 1.475549696984725

minimum gb energy = 1.3637164421750754 eV
minimum distance =  2.21051140594831 Angstroms
sigma value = 9


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

Energy: 1.5558422098453077
Energy: 1.5553061260364378
Energy: 1.4933314582305839
Energy: 1.5553061260364378
Energy: 1.5580758363721898
Energy: 1.6745558506095115
Energy: 1.5540586250674346
Energy: 1.6745558506095115
Energy: 1.5172157839770246
Energy: 1.5674831251203274
Energy: 1.5154863432334633
Energy: 1.5674831251203274
Energy: 1.5653355109554605
Energy: 1.7906819022687044
Energy: 1.4813440305726449
Energy: 1.7906819022687044
Energy: 1.5534468856299968
Energy: 1.6747462719441342
Energy: 1.538438348095783
Energy: 1.6747462719441342
Energy: 1.4229521664393983
Energy: 1.5661206933039284
Energy: 1.5640812848215704
Energy: 1.5661206933039284
Energy: 1.5622933039829037
Energy: 1.482002928697775
Energy: 1.481894691937029
Energy: 1.4820029286990417
Energy: 1.4623042961075359
Energy: 1.5660457482760177
Energy: 1.4652506136079548
Energy: 1.5660457482760177
Energy: 1.5642946789583718
Energy: 1.674480671911729
Energy: 1.5663904648702875
Energy: 1.674480671911729
Energy: 1.5557943982291478
Energy: 1.5571125976339295
Energy: 1.5637465237924173
Energy: 1.5571125976339295
Energy: 1.4938003671424622
Energy: 1.662776714406965
Energy: 1.530155750469614
Energy: 1.662776714406965
Energy: 1.5664082946846438
Energy: 1.6652546060958098
Energy: 1.4812244065620108
Energy: 1.6652546060958098
Energy: 1.42294198721953
Energy: 1.5678564134798718
Energy: 1.4769653962051945
Energy: 1.5678564134798718
Energy: 1.5711422294351227
Energy: 1.565362188417307
Energy: 1.5663978994895944
Energy: 1.565362188417307
Energy: 1.4229457582261107
Energy: 1.567391623282896
Energy: 1.4629702469686332
Energy: 1.5673916232816287
Energy: 1.5665137044122108
Energy: 1.6651406489483407
Energy: 1.4813526047435714
Energy: 1.6651406489483407
Energy: 1.4936903180276535
Energy: 1.6627324414293831
Energy: 1.4868902723743815
Energy: 1.6627324414293831
Energy: 1.5556308299500727
Energy: 1.5572665164945145
Energy: 1.5638347738123637
Energy: 1.5572665164945145
Energy: 1.564301777886823
Energy: 1.6745070988849582
Energy: 1.486759843624497
Energy: 1.6745070988849582
Energy: 1.4622785101022922
Energy: 1.5660261610033124
Energy: 1.46536824652518
Energy: 1.5660261610033124
Energy: 1.56234655445435
Energy: 1.4818039999937709
Energy: 1.4819581795550734
Energy: 1.4818039999937709

minimum gb energy = 1.42294198721953 eV
minimum distance =  2.32804496469237 Angstroms
sigma value = 25


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

Energy: 1.535910318343196
Energy: 1.6877812247774853
Energy: 1.5760987146514818
Energy: 1.6877812247774853
Energy: 1.4995837358725057
Energy: 1.7044644589766091
Energy: 1.47208672530468
Energy: 1.7044644589766091
Energy: 1.4724109099021132
Energy: 1.8204088268883507
Energy: 1.4723359804042038
Energy: 1.8204088268883507
Energy: 1.5355273376061667
Energy: 1.7900031136156822
Energy: 1.550570737967028
Energy: 1.7900031136156822
Energy: 1.5478208322356473
Energy: 1.499163167040937
Energy: 1.5921352344557202
Energy: 1.499163167040937
Energy: 1.4782191808142633
Energy: 1.8185415043690356
Energy: 1.4723689284160943
Energy: 1.8185415043690356
Energy: 1.4745167126154934
Energy: 1.6954445186096556
Energy: 1.472056904715775
Energy: 1.6954445186096556
Energy: 1.5270257107895315
Energy: 1.6883725101575957
Energy: 1.5337122105162084
Energy: 1.6883725101575957
Energy: 1.472563051006908
Energy: 1.592625283595571
Energy: 1.4996148914819645
Energy: 1.592625283595571
Energy: 1.6043951706653148
Energy: 1.7422461083143443
Energy: 1.4722209782546103
Energy: 1.7422461083143443
Energy: 1.5401363482536734
Energy: 1.7855888847831047
Energy: 1.6009761232278346
Energy: 1.7855888847831047
Energy: 1.4720862407459225
Energy: 1.5546634087055975
Energy: 1.602806340882349
Energy: 1.5546634087055975
Energy: 1.5314783221132198
Energy: 1.7245554024835734
Energy: 1.471626045097443
Energy: 1.7245554024835734
Energy: 1.4721645550263196
Energy: 1.4723299707210054
Energy: 1.5357439512234876
Energy: 1.4723299707210054
Energy: 1.6010148395357238
Energy: 1.6854372970638656
Energy: 1.5264336792029893
Energy: 1.6854372970638656
Energy: 1.4988807844439163
Energy: 1.7243224392810512
Energy: 1.4779729871177114
Energy: 1.7243224392810512
Energy: 1.4719295945724369
Energy: 1.6278253616903235
Energy: 1.6017864502427956
Energy: 1.6278253616903235

minimum gb energy = 1.471626045097443 eV
minimum distance =  2.3077669215534 Angstroms
sigma value = 17


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

Energy: 1.6470657398428394
Energy: 1.647157733446331
Energy: 1.7273412250309272
Energy: 1.647157733446331
Energy: 1.650068894288232
Energy: 1.6383640266414292
Energy: 1.5227825839142555
Energy: 1.6383640266423165
Energy: 1.5838384159971648
Energy: 1.6610229187281453
Energy: 1.5226926164170553
Energy: 1.6610229187281453
Energy: 1.5241100924003732
Energy: 1.7362125735660352
Energy: 1.5777662559049894
Energy: 1.7362125735660352
Energy: 1.6306120017761114
Energy: 1.6362647265564267
Energy: 1.6073628927851755
Energy: 1.6362647265573143
Energy: 1.5500617546722606
Energy: 1.6649852765156998
Energy: 1.581466236566413
Energy: 1.6649852765156998
Energy: 1.5248147391755322
Energy: 1.6906939733974857
Energy: 1.6070682438858435
Energy: 1.6906939733974857
Energy: 1.5801321317461583
Energy: 1.6659683166113928
Energy: 1.5463619332984049
Energy: 1.6659683166113928
Energy: 1.5504179059645726
Energy: 1.7673802085007408
Energy: 1.616694350898003
Energy: 1.7673802085007408
Energy: 1.6634012273396557
Energy: 1.6390250143696081
Energy: 1.523936653340461
Energy: 1.6390250143696081
Energy: 1.5277506902105027
Energy: 1.6820433923336626
Energy: 1.5828984596059552
Energy: 1.6820433923336626
Energy: 1.5483877904841457
Energy: 1.6885551302883763
Energy: 1.5478647966124344
Energy: 1.6885551302883763
Energy: 1.679505753952841
Energy: 1.6481551099982354
Energy: 1.6529694790595735
Energy: 1.6481551099982354
Energy: 1.5230965798058522
Energy: 1.8141693937320535
Energy: 1.6519279089868195
Energy: 1.8141693937320535
Energy: 1.5963124861852414
Energy: 1.6905978912153885
Energy: 1.5515113935892175
Energy: 1.6905978912145012
Energy: 1.5839166018824649
Energy: 1.6652482728350078
Energy: 1.581964778420093
Energy: 1.6652482728350078
Energy: 1.6064751726206608
Energy: 1.7314108829447281
Energy: 1.7116350305899126
Energy: 1.7314108829447281
Energy: 1.6050955034076875
Energy: 1.6307072803341918
Energy: 1.5498349572772543
Energy: 1.6307072803341918
Energy: 1.5867919707307143
Energy: 1.733384842912538
Energy: 1.602767166337999
Energy: 1.733384842912538
Energy: 1.6051127838871118
Energy: 1.7852754032771012
Energy: 1.5266760554064553
Energy: 1.7852754032771012
Energy: 1.5487065743219977
Energy: 1.6612595522497422
Energy: 1.5832667336311586
Energy: 1.6612595522497422
Energy: 1.6041389072971126
Energy: 1.800321849591022
Energy: 1.6637331383692495
Energy: 1.800321849591022
Energy: 1.6008114368452626
Energy: 1.6812319846715942
Energy: 1.521817490303205
Energy: 1.6812319846715942
Energy: 1.625684509148687
Energy: 1.690896495756663
Energy: 1.6379576475993414
Energy: 1.690896495756663
Energy: 1.6751240846066404
Energy: 1.6609521186510117
Energy: 1.637505764915692
Energy: 1.6609521186510117
Energy: 1.6662541536197963
Energy: 1.6820807012449073
Energy: 1.523813883892683
Energy: 1.6820807012449073
Energy: 1.6067257509473094
Energy: 1.7341446119949384
Energy: 1.701336506335896
Energy: 1.7341446119949384
Energy: 1.5803563997761976
Energy: 1.6646920827396177
Energy: 1.5838085304017533
Energy: 1.6646920827396177
Energy: 1.7131493934986435
Energy: 1.7379658197575802
Energy: 1.5275645900825536
Energy: 1.7379658197584678
Energy: 1.546403180857941
Energy: 1.730678246437241
Energy: 1.6077391568785881
Energy: 1.730678246437241

minimum gb energy = 1.521817490303205 eV
minimum distance =  2.17838818074742 Angstroms
sigma value = 53


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

Energy: 1.4557456084497036
Energy: 1.4561506572252523
Energy: 1.694441536150231
Energy: 1.4561506572252523
Energy: 1.6069657055099094
Energy: 1.6257323417069274
Energy: 1.4744861483775966
Energy: 1.6257323417069274
Energy: 1.4868485730018643
Energy: 1.4555450917183907
Energy: 1.5687419940046858
Energy: 1.4555450917183907
Energy: 1.486754431793849
Energy: 1.4554652676247866
Energy: 1.5983569488707963
Energy: 1.4554652676247866
Energy: 1.607279773453876
Energy: 1.6255841823095418
Energy: 1.4744269284139164
Energy: 1.6255841823095418
Energy: 1.4557456084497036
Energy: 1.4561506572252523
Energy: 1.6936742899833375
Energy: 1.4561506572252523
Energy: 1.6069657055099094
Energy: 1.6257323417069274
Energy: 1.5452394164525558
Energy: 1.6257323417069274
Energy: 1.4868485730018643
Energy: 1.4555450917183907
Energy: 1.5687419940046858
Energy: 1.4555450917183907
Energy: 1.486754431793849
Energy: 1.4554652676247866
Energy: 1.5792697600606835
Energy: 1.4554652676247866
Energy: 1.607279773453876
Energy: 1.6255841823095418
Energy: 1.5870064467038532
Energy: 1.6255841823095418
Energy: 1.4557456084497036
Energy: 1.4561506572252523
Energy: 1.721225578239672
Energy: 1.4561506572252523
Energy: 1.6069657055099094
Energy: 1.6257323417069274
Energy: 1.565376285000591
Energy: 1.6257323417069274
Energy: 1.4868485730018643
Energy: 1.4555450917183907
Energy: 1.5687419940046858
Energy: 1.4555450917183907

minimum gb energy = 1.4554652676247866 eV
minimum distance =  2.28215090075173 Angstroms
sigma value = 9


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

Energy: 1.5904910699211239
Energy: 1.9899027477539355
Energy: 1.8247774822433058
Energy: 1.9899027477539355
Energy: 1.7841039557711622
Energy: 1.6649052693413902
Energy: 1.5903063513264792
Energy: 1.6649052693413902
Energy: 1.573709997936962
Energy: 1.6503281279056978
Energy: 1.5941084656395952
Energy: 1.6503281279056978
Energy: 1.669822582803637
Energy: 1.6783800122100232
Energy: 1.583715779615958
Energy: 1.6783800122100232
Energy: 1.7370880596208005
Energy: 1.663915063019541
Energy: 1.591089091792798
Energy: 1.663915063019541
Energy: 1.5676188825252277
Energy: 1.5663132428933084
Energy: 1.677014085688072
Energy: 1.5663132428933084
Energy: 1.8166028164363506
Energy: 1.7472548996533783
Energy: 1.592003027600531
Energy: 1.7472548996533783
Energy: 1.5852368337368932
Energy: 1.6704443527368935
Energy: 1.6839285619757103
Energy: 1.6704443527368935
Energy: 1.5760108130337553
Energy: 1.6912377294123775
Energy: 1.5665430652593144
Energy: 1.6912377294123775
Energy: 1.5937579979552785
Energy: 1.6621610950331362
Energy: 1.5974577127635419
Energy: 1.6621610950331362
Energy: 1.5866708135773022
Energy: 1.6712119149567446
Energy: 1.8066591095382711
Energy: 1.6712119149567446
Energy: 1.6984890670917185
Energy: 1.8296796285343377
Energy: 1.5862916611972118
Energy: 1.8296796285343377
Energy: 1.5771813229515608
Energy: 1.7552950010135808
Energy: 1.7379618384514541
Energy: 1.7552950010135808
Energy: 1.6731664149812226
Energy: 1.7627443641695464
Energy: 1.5993906192604272
Energy: 1.7627443641695464
Energy: 1.5959224349783074
Energy: 1.7669804088620047
Energy: 1.6835376268149884
Energy: 1.7669804088620047
Energy: 1.581407306976754
Energy: 1.8638517394061094
Energy: 1.678836830653344
Energy: 1.8638517394061094
Energy: 1.6524720259817853
Energy: 1.7636764853800864
Energy: 1.5962871584450573
Energy: 1.7636764853800864
Energy: 1.5916722154341703
Energy: 1.6558415057990492
Energy: 1.7331122932554621
Energy: 1.6558415057990492
Energy: 1.7504947236984554
Energy: 1.6743624566876594
Energy: 1.5711969105715082
Energy: 1.674362456686903
Energy: 1.5850471236750552
Energy: 1.6827970924088116
Energy: 1.6764498827574381
Energy: 1.6827970924088116
Energy: 1.6760490633881486
Energy: 1.9730007308746913
Energy: 1.6726300918039534
Energy: 1.9730007308746913
Energy: 1.6728925245993844
Energy: 1.7203867279781344
Energy: 1.5881561877253292
Energy: 1.7203867279781344
Energy: 1.5666220512561506
Energy: 1.675886513715487
Energy: 1.5737335381905342
Energy: 1.675886513715487
Energy: 1.8651681764290657
Energy: 1.6738040248063546
Energy: 1.5828301096966666
Energy: 1.6738040248063546
Energy: 1.5917446544842133
Energy: 1.7743519068276046
Energy: 1.7825931515349098
Energy: 1.7743519068268485
Energy: 1.6240926047782862
Energy: 1.649783020763681
Energy: 1.5752393419823592
Energy: 1.649783020763681
Energy: 1.6397667478131668
Energy: 1.8288857372273921
Energy: 1.6763996027150896
Energy: 1.8288857372273921
Energy: 1.5905140017291048
Energy: 1.7620501384326115
Energy: 1.6741877318026193
Energy: 1.7620501384326115
Energy: 1.6343448048224065
Energy: 1.649903134131809
Energy: 1.5732376303327975
Energy: 1.649903134131809
Energy: 1.5903366820704687
Energy: 1.7592594867807239
Energy: 1.784730878984352
Energy: 1.759259486779968
Energy: 1.7819798456192009
Energy: 1.6725889729504584
Energy: 1.5817874387755473
Energy: 1.6725889729504584
Energy: 1.5687691306739768
Energy: 1.6606271087335416
Energy: 1.5738187274889521
Energy: 1.6606271087335416
Energy: 1.5956384445777587
Energy: 1.7543229786746428
Energy: 1.5743941722479178
Energy: 1.7543229786753987
Energy: 1.6811232941888374
Energy: 1.6707577357148848
Energy: 1.6694364948506546
Energy: 1.6707577357148848
Energy: 1.582491518363506
Energy: 1.8296298639987119
Energy: 1.816758335852368
Energy: 1.8296298639987119

minimum gb energy = 1.5663132428933084 eV
minimum distance =  2.21464795694792 Angstroms
sigma value = 73


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

Energy: 1.6677473286769482
Energy: 1.6662718357822968
Energy: 1.8082119233787677
Energy: 1.6662718357822968
Energy: 1.720951661666165
Energy: 1.8029236414965801
Energy: 1.6073131795640443
Energy: 1.8029236414965801
Energy: 1.6198195939090199
Energy: 1.639913213963104
Energy: 1.6182422092002127
Energy: 1.639913213963104
Energy: 1.5879887681104625
Energy: 1.593737152921796
Energy: 1.6319617690491357
Energy: 1.593737152921796
Energy: 1.6390643771848212
Energy: 1.7212216661633455
Energy: 1.6276193366394778
Energy: 1.7212216661633455
Energy: 1.6158110400501564
Energy: 1.6125918172340465
Energy: 1.7662058394362439
Energy: 1.6125918172340465
Energy: 1.8438616604458467
Energy: 1.7994503539657836
Energy: 1.6061809421385829
Energy: 1.7994503539657836
Energy: 1.5854454316860038
Energy: 1.7014877173056733
Energy: 1.779991603779193
Energy: 1.7014877173056733
Energy: 1.7889768037839011
Energy: 1.5689024210453155
Energy: 1.5672779568598803
Energy: 1.5689024210453155
Energy: 1.6090436786617348
Energy: 1.7195909707462294
Energy: 1.6141559454513976
Energy: 1.7195909707462294
Energy: 1.5824759264929382
Energy: 1.6403493387798742
Energy: 1.7459374573633533
Energy: 1.6403493387798742
Energy: 1.7336153296802175
Energy: 1.8063216802767286
Energy: 1.5879400788227425
Energy: 1.8063216802767286
Energy: 1.6139005944199891
Energy: 1.6886410908243588
Energy: 1.839730096419701
Energy: 1.6886410908243588
Energy: 1.7811667536274367
Energy: 1.777711901961931
Energy: 1.615688949639007
Energy: 1.777711901961931
Energy: 1.5795622850209587
Energy: 1.8385880837214779
Energy: 1.8069154254763613
Energy: 1.8385880837214779
Energy: 1.745595464985136
Energy: 1.7004517146009899
Energy: 1.582814433228091
Energy: 1.7004517146009899
Energy: 1.6865636263061137
Energy: 1.68855613458012
Energy: 1.6029357497111811
Energy: 1.68855613458012
Energy: 1.6680153675100031
Energy: 1.6678777849922113
Energy: 1.6028891941265992
Energy: 1.6678777849922113
Energy: 1.5891238880033667
Energy: 1.6395825039482017
Energy: 1.584575078641662
Energy: 1.6395825039482017
Energy: 1.6040645290989837
Energy: 1.6941849033261938
Energy: 1.8544263172360003
Energy: 1.6941849033261938
Energy: 1.8563093528034438
Energy: 1.662052113399741
Energy: 1.6145603200354846
Energy: 1.662052113399741
Energy: 1.6316017149440654
Energy: 1.718739600493416
Energy: 1.732289576681097
Energy: 1.718739600493416

minimum gb energy = 1.5672779568598803 eV
minimum distance =  2.23285449825795 Angstroms
sigma value = 7


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

Energy: 1.5859993991834083
Energy: 1.5854509368926004
Energy: 1.9305559737592093
Energy: 1.5854509368926004
Energy: 1.733285796787733
Energy: 1.8381927204745707
Energy: 1.596770339933114
Energy: 1.8381927204745707
Energy: 1.5861442287902165
Energy: 1.6799146776053675
Energy: 1.5989218502247518
Energy: 1.6799146776053675
Energy: 1.625910596386473
Energy: 1.7004370390928776
Energy: 1.59504479785199
Energy: 1.7004370390928776
Energy: 1.5848026830817477
Energy: 1.678094213932708
Energy: 1.6207056940542868
Energy: 1.678094213932708
Energy: 1.5730502453822661
Energy: 1.6810680810817633
Energy: 1.7917299820254382
Energy: 1.6810680810817633
Energy: 1.77400451287655
Energy: 1.7951540683882994
Energy: 1.6166878966770428
Energy: 1.7951540683882994
Energy: 1.5731770325288392
Energy: 1.6824136276326866
Energy: 1.9388239709167967
Energy: 1.6824136276326866
Energy: 1.7549139974571202
Energy: 1.6774149926787056
Energy: 1.5902339558056846
Energy: 1.6774149926787056
Energy: 1.5844101155383925
Energy: 1.7284183690771175
Energy: 1.7238366525580664
Energy: 1.7284183690771175
Energy: 1.6141258703038535
Energy: 1.6813837714069555
Energy: 1.632467551790681
Energy: 1.6813837714069555
Energy: 1.5867837833769305
Energy: 1.6794201519399559
Energy: 1.6337882252940392
Energy: 1.6794201519399559
Energy: 1.5857588616449394
Energy: 1.5881940732457391
Energy: 1.6220690880506319
Energy: 1.5881940732457391
Energy: 1.5967515060527118
Energy: 1.6702860622755993
Energy: 1.6212099139937564
Energy: 1.6702860622755993
Energy: 1.5814851919991986
Energy: 1.846691569686288
Energy: 1.7595825833176144
Energy: 1.846691569686288
Energy: 1.9343667174621557
Energy: 1.5718651062212077
Energy: 1.5834783296825328
Energy: 1.5718651062212077
Energy: 1.5843923422785986
Energy: 1.6831090113317355
Energy: 1.7426494571137774
Energy: 1.683109011332584
Energy: 1.5749186115175904
Energy: 1.6640045491691606
Energy: 1.6328180337936569
Energy: 1.6640045491691606
Energy: 1.5839533126947143
Energy: 1.6808408947680973
Energy: 1.6306541387302145
Energy: 1.6808408947680973
Energy: 1.5834906425556208
Energy: 1.6762428806486498
Energy: 1.6332301933918818
Energy: 1.6762428806486498
Energy: 1.6216702000080367
Energy: 1.8059532562439005
Energy: 1.5900358075562027
Energy: 1.8059532562439005
Energy: 1.5850173533832932
Energy: 1.810291804228504
Energy: 1.7404265467679347
Energy: 1.810291804228504
Energy: 1.8348951461766938
Energy: 1.7808369355591194
Energy: 1.6133749334641156
Energy: 1.7808369355591194
Energy: 1.592025409039938
Energy: 1.586124425091881
Energy: 1.8016534277794676
Energy: 1.586124425091881
Energy: 1.6472906026796044
Energy: 1.6765663925587941
Energy: 1.5925096432825911
Energy: 1.6765663925587941
Energy: 1.62604087772306
Energy: 1.6802953735686026
Energy: 1.6107620899146262
Energy: 1.6802953735686026
Energy: 1.5858823672616058
Energy: 1.7153310441195908
Energy: 1.5912719812449758
Energy: 1.7153310441195908
Energy: 1.6222598576064076
Energy: 1.6814930731911975
Energy: 1.5989557598479192
Energy: 1.6814930731911975
Energy: 1.567804810309605
Energy: 1.6806745254995974
Energy: 1.736377985174909
Energy: 1.6806745254995974
Energy: 1.729572410058577
Energy: 1.6207081876269362
Energy: 1.5965475434636291
Energy: 1.6207081876269362
Energy: 1.5678104608230203
Energy: 1.6804174519240183
Energy: 1.816627741657424
Energy: 1.6804174519240183

minimum gb energy = 1.567804810309605 eV
minimum distance =  2.2101670395024 Angstroms
sigma value = 29


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

Energy: 1.4804492342575877
Energy: 1.4505423676465878
Energy: 1.6789961692521442
Energy: 1.4505423676465878
Energy: 1.4116288761572944
Energy: 1.482504346468474
Energy: 1.478596406465252
Energy: 1.482504346468474
Energy: 1.4782419320634794
Energy: 1.5555816385389936
Energy: 1.4113791381767824
Energy: 1.5555816385389936
Energy: 1.4795832088420868
Energy: 1.4139496925879205
Energy: 1.4791731270778992
Energy: 1.4139496925879205
Energy: 1.4809096631667296
Energy: 1.5180056099468056
Energy: 1.6411264589319525
Energy: 1.5180056099468056
Energy: 1.4514774197185867
Energy: 1.5565626485344435
Energy: 1.4515285625681276
Energy: 1.5565626485344435
Energy: 1.4118137980034824
Energy: 1.51797192338711
Energy: 1.4809205887769719
Energy: 1.51797192338711
Energy: 1.4797497884186577
Energy: 1.4141154287767108
Energy: 1.4794707548846127
Energy: 1.4141154287767108
Energy: 1.4131349161511628
Energy: 1.5556316305983857
Energy: 1.558426250147895
Energy: 1.5556316305983857

minimum gb energy = 1.4113791381767824 eV
minimum distance =  2.27140423163342 Angstroms
sigma value = 5


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

Energy: 1.4590739115580342
Energy: 1.5321431864832813
Energy: 1.5585753133735312
Energy: 1.53214318648248
Energy: 1.5945164395436797
Energy: 1.6737761165016043
Energy: 1.4073389061377257
Energy: 1.6737761165016043
Energy: 1.3924819505885118
Energy: 1.5555679449137765
Energy: 1.6575559922211522
Energy: 1.5555679449137765
Energy: 1.3982694629806043
Energy: 1.6103378639123123
Energy: 1.4276326880122152
Energy: 1.6103378639123123
Energy: 1.4205516192195766
Energy: 1.5302194246010663
Energy: 1.6182626716993689
Energy: 1.5302194246010663
Energy: 1.4794916537310991
Energy: 1.5681050511031442
Energy: 1.4085871274890118
Energy: 1.5681050511031442
Energy: 1.4006607253159773
Energy: 1.5410159561747758
Energy: 1.401221289914597
Energy: 1.5410159561739747
Energy: 1.401512665207694
Energy: 1.5140982278571151
Energy: 1.391258373869851
Energy: 1.5140982278571151
Energy: 1.419159889855682
Energy: 1.6739765458513647
Energy: 1.414505139332356
Energy: 1.6739765458513647
Energy: 1.419881422969157
Energy: 1.5277730701924221
Energy: 1.4050343901601037
Energy: 1.5277730701924221
Energy: 1.3928268626061775
Energy: 1.4568659798559362
Energy: 1.3938470178951505
Energy: 1.4568659798559362
Energy: 1.4045293662468077
Energy: 1.646016235036686
Energy: 1.535674523436219
Energy: 1.646016235036686
Energy: 1.5025524372382686
Energy: 1.4548412662037835
Energy: 1.4588073789671079
Energy: 1.4548412662037835
Energy: 1.4158367592238368
Energy: 1.567697047720268
Energy: 1.4820708573184842
Energy: 1.567697047720268
Energy: 1.7297411058651282
Energy: 1.7130226587499837
Energy: 1.3933052204488015
Energy: 1.7130226587499837
Energy: 1.4236710321729693
Energy: 1.517154431447614
Energy: 1.624242000280145
Energy: 1.517154431447614
Energy: 1.6232806504876671
Energy: 1.4077722890748003
Energy: 1.4183815699207845
Energy: 1.4077722890748003
Energy: 1.4131709766510325
Energy: 1.5666573916260669
Energy: 1.61118548121641
Energy: 1.5666573916260669
Energy: 1.4048012706039807
Energy: 1.5431558067369175
Energy: 1.4011539761319243
Energy: 1.5431558067369175
Energy: 1.4072706793714649
Energy: 1.5953676883384829
Energy: 1.4371958536209386
Energy: 1.5953676883384829
Energy: 1.4003335021515961
Energy: 1.4553727798796028
Energy: 1.4195537003040115
Energy: 1.4553727798796028
Energy: 1.4213453619744132
Energy: 1.526070784371925
Energy: 1.41968342824463
Energy: 1.526070784371925
Energy: 1.3954214720742713
Energy: 1.5685579792167654
Energy: 1.3952769793051532
Energy: 1.5685579792167654
Energy: 1.5327674168506142
Energy: 1.4609380774843057
Energy: 1.4066867936223206
Energy: 1.4609380774843057
Energy: 1.5314651849824834
Energy: 1.5212247265348722
Energy: 1.4082984879792386
Energy: 1.5212247265348722
Energy: 1.4273131335578555
Energy: 1.5670009364543969
Energy: 1.4181865642999594
Energy: 1.5670009364543969
Energy: 1.3953124671741173
Energy: 1.5063495142997319
Energy: 1.55187579740242
Energy: 1.5063495142997319
Energy: 1.5420339588615641
Energy: 1.70358968675339
Energy: 1.421509779287262
Energy: 1.70358968675339
Energy: 1.4014714814292524
Energy: 1.747151653654208
Energy: 1.5518016254423372
Energy: 1.7471516536534066
Energy: 1.6921988917580084
Energy: 1.5675628342808146
Energy: 1.4117783345407298
Energy: 1.5675628342808146
Energy: 1.3964102678144856
Energy: 1.437849668164676
Energy: 1.6226149314322607
Energy: 1.437849668164676
Energy: 1.6195262235814352
Energy: 1.6595424475465912
Energy: 1.4037875502079527
Energy: 1.6595424475465912
Energy: 1.4287814435617252
Energy: 1.6113385492320382
Energy: 1.419264794978955
Energy: 1.6113385492320382

minimum gb energy = 1.391258373869851 eV
minimum distance =  2.18411826199169 Angstroms
sigma value = 1


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

Energy: 1.5026663009379595
Energy: 1.5022059255166886
Energy: 1.426551632945376
Energy: 1.5022059255166886
Energy: 1.4260809729187744
Energy: 1.5996955126082104
Energy: 1.3515366346073763
Energy: 1.5996955126082104
Energy: 1.3351686695882534
Energy: 1.5612234259417521
Energy: 1.579285561713769
Energy: 1.5612234259417521
Energy: 1.4324718885584962
Energy: 1.6058446479683672
Energy: 1.3639680113329224
Energy: 1.6058446479683672
Energy: 1.333250800101134
Energy: 1.5352016254375815
Energy: 1.6295927049921948
Energy: 1.5352016254375815
Energy: 1.3149572261206284
Energy: 1.481120149370089
Energy: 1.3638121733741253
Energy: 1.481120149370089
Energy: 1.3361195515872608
Energy: 1.5476730794709104
Energy: 1.4707574201000702
Energy: 1.5476730794709104
Energy: 1.3357382750023696
Energy: 1.4816704844412236
Energy: 1.4317686995334957
Energy: 1.4816704844412236
Energy: 1.3913484619307834
Energy: 1.3988213219244627
Energy: 1.3879151738530782
Energy: 1.3988213219244627
Energy: 1.3917228899037082
Energy: 1.49798950522114
Energy: 1.4061464110210007
Energy: 1.49798950522114
Energy: 1.3364130078646967
Energy: 1.5634071030288905
Energy: 1.3892508718523469
Energy: 1.5634071030288905
Energy: 1.3356906422881223
Energy: 1.5377904838784773
Energy: 1.5297452015348783
Energy: 1.5377904838784773
Energy: 1.333490903969816
Energy: 1.3952185958020498
Energy: 1.3661294421022212
Energy: 1.3952185958020498
Energy: 1.3346880294944254
Energy: 1.5999644794558108
Energy: 1.4990820474319835
Energy: 1.5999644794558108
Energy: 1.4829330353414134
Energy: 1.4826973635412573
Energy: 1.3659901595341142
Energy: 1.4826973635412573
Energy: 1.3354056987447627
Energy: 1.4779809875279348
Energy: 1.4862391356634084
Energy: 1.4779809875279348
Energy: 1.7885484011596016
Energy: 1.7083960644923626
Energy: 1.3500964433886573
Energy: 1.7083960644923626
Energy: 1.5026663009379595
Energy: 1.5022059255166886
Energy: 1.4265516306231234
Energy: 1.5022059255166886
Energy: 1.4260809729187744
Energy: 1.5996955126082104
Energy: 1.3515366346073763
Energy: 1.5996955126082104
Energy: 1.3351686695882534
Energy: 1.5612234259417521
Energy: 1.5742488414166669
Energy: 1.5612234259417521
Energy: 1.4324718885584962
Energy: 1.6058446479683672
Energy: 1.3639680113329224
Energy: 1.6058446479683672
Energy: 1.333250800101134
Energy: 1.5352016254375815
Energy: 1.6295927049921948
Energy: 1.5352016254375815
Energy: 1.3149572261206284
Energy: 1.481120149370089
Energy: 1.3638121733741253
Energy: 1.481120149370089
Energy: 1.3361195515872608
Energy: 1.5476730794709104
Energy: 1.4441641017404145
Energy: 1.5476730794709104

minimum gb energy = 1.3149572261206284 eV
minimum distance =  2.22423555821503 Angstroms
sigma value = 17


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

Energy: 1.373035839084639
Energy: 1.3729545975137483
Energy: 1.410733496147813
Energy: 1.3729545975137483
Energy: 1.4820615935556762
Energy: 1.4950505445705886
Energy: 1.3234809829816039
Energy: 1.4950505445705886
Energy: 1.3200131539307638
Energy: 1.4592025378474187
Energy: 1.6302343905345846
Energy: 1.4592025378474187
Energy: 1.3847299921106357
Energy: 1.457787853441538
Energy: 1.317442081341074
Energy: 1.457787853441538
Energy: 1.3159831097664922
Energy: 1.4679750347182912
Energy: 1.6233837070259427
Energy: 1.4679750347182912
Energy: 1.3160961882888822
Energy: 1.7892879068285605
Energy: 1.338447475042799
Energy: 1.7892879068285605
Energy: 1.3458242959218791
Energy: 1.4414429647375784
Energy: 1.353415178399738
Energy: 1.4414429647375784
Energy: 1.3101168674880923
Energy: 1.6625034098303297
Energy: 1.312701028179165
Energy: 1.6625034098303297
Energy: 1.3523679269682698
Energy: 1.659480690887662
Energy: 1.4079316217287052
Energy: 1.659480690887662
Energy: 1.3525304822492965
Energy: 1.709980983387539
Energy: 1.3316584519270402
Energy: 1.709980983388224
Energy: 1.3108745101000805
Energy: 1.6315824434061164
Energy: 1.322720594814583
Energy: 1.6315824434061164
Energy: 1.3102660502452776
Energy: 1.4311862759386873
Energy: 1.302909870044363
Energy: 1.4311862759386873
Energy: 1.3409637303264965
Energy: 1.7897879168191377
Energy: 1.3221566836699619
Energy: 1.7897879168191377
Energy: 1.3400861564609683
Energy: 1.4653025611059194
Energy: 1.372385438553629
Energy: 1.4653025611066042
Energy: 1.3338557004527007
Energy: 1.6173480300030525
Energy: 1.3846845344969343
Energy: 1.6173480300037373
Energy: 1.3266360926534337
Energy: 1.4589510617019614
Energy: 1.6290961865604376
Energy: 1.4589510617012766
Energy: 1.3305154301689246
Energy: 1.4643296825839385
Energy: 1.3221245454643678
Energy: 1.4643296825839385
Energy: 1.311236122814149
Energy: 1.4760121279131964
Energy: 1.3383866030528564
Energy: 1.4760121279131964
Energy: 1.468036744808413
Energy: 1.5735374617698477
Energy: 1.3230816949963458
Energy: 1.5735374617698477
Energy: 1.3317300220697113
Energy: 1.3532797634604237
Energy: 1.6255383644992527
Energy: 1.3532797634604237
Energy: 1.4523622528974947
Energy: 1.4687433412595883
Energy: 1.3434816778867882
Energy: 1.4687433412589035
Energy: 1.3436578631868263
Energy: 1.6069212138076412
Energy: 1.9471933988472068
Energy: 1.6069212138076412
Energy: 1.6480086564641825
Energy: 1.4682990763674757
Energy: 1.3346227685290848
Energy: 1.4682990763674757
Energy: 1.3235499936905604
Energy: 1.4441523626157735
Energy: 1.4806519671835683
Energy: 1.4441523626150887
Energy: 1.3736502781457398
Energy: 1.4764483648402098
Energy: 1.3134107142051246
Energy: 1.4764483648402098
Energy: 1.3252869254598294
Energy: 1.4697428461129174
Energy: 1.327184717279501
Energy: 1.4697428461129174
Energy: 1.452250231668353
Energy: 1.6995471751177302
Energy: 1.3293258048795367
Energy: 1.6995471751177302
Energy: 1.3851696217509075
Energy: 1.6298451983942246
Energy: 1.333588998266761
Energy: 1.6298451983942246
Energy: 1.372123802977222
Energy: 1.4652547060818408
Energy: 1.3354254063805302
Energy: 1.465254706081156
Energy: 1.3210646665974937
Energy: 1.7909400073962163
Energy: 1.4029995685257288
Energy: 1.7909400073962163
Energy: 1.3030494907096644
Energy: 1.4656209288743602
Energy: 1.310057822178298
Energy: 1.4656209288743602
Energy: 1.320558020122494
Energy: 1.6303895333253386
Energy: 1.3203883933160987
Energy: 1.6303895333253386
Energy: 1.3293190048018035
Energy: 1.7128588601801935
Energy: 1.4806812489346066
Energy: 1.7128588601801935
Energy: 1.4045780122787954
Energy: 1.6538542340882953
Energy: 1.3404208650464995
Energy: 1.6538542340882953
Energy: 1.3102620847817013
Energy: 1.4767870063261677
Energy: 1.3692077725496783
Energy: 1.4767870063261677
Energy: 1.3533355010326404
Energy: 1.4439345002563457
Energy: 1.3434354665275277
Energy: 1.4439345002563457
Energy: 1.3342963897405429
Energy: 1.789027397899072
Energy: 1.3219053351095578
Energy: 1.7890273978997568
Energy: 1.4175736572094464
Energy: 1.6389546373478423
Energy: 1.3271034484403974
Energy: 1.638954637348527

minimum gb energy = 1.302909870044363 eV
minimum distance =  2.18003638717554 Angstroms
sigma value = 89


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

Energy: 1.2032823414656728
Energy: 1.2031404734830464
Energy: 1.294392948702045
Energy: 1.2031404734830464
Energy: 1.2035589007604992
Energy: 1.251649823814996
Energy: 1.225968906516548
Energy: 1.251649823814996
Energy: 1.2225552655045804
Energy: 1.6219397392703063
Energy: 1.9206686672248652
Energy: 1.6219397392703063
Energy: 1.2000532125337688
Energy: 1.2516780253502988
Energy: 1.2260808972037016
Energy: 1.2516780253502988
Energy: 1.2221724732023054
Energy: 1.2030172664235361
Energy: 1.6049273752264293
Energy: 1.2030172664235361
Energy: 1.2220235366480232
Energy: 1.204448184010158
Energy: 1.2078574275243916
Energy: 1.204448184010158
Energy: 1.2228820330132237
Energy: 1.4549020880144956
Energy: 1.2037634678796538
Energy: 1.4549020880144956
Energy: 1.2392512771672197
Energy: 1.4534961702882336
Energy: 1.2259945563327979
Energy: 1.4534961702882336
Energy: 1.221857046662889
Energy: 1.3419058471030043
Energy: 1.19975917975525
Energy: 1.3419058471030043
Energy: 1.2509268597511332
Energy: 1.33768155605217
Energy: 1.2224918308504642
Energy: 1.33768155605217
Energy: 1.2028176446265602
Energy: 1.2527062244578349
Energy: 1.221957188875642
Energy: 1.2527062244578349
Energy: 1.2032225143509367
Energy: 1.4554579410823765
Energy: 1.22594983966268
Energy: 1.4554579410823765
Energy: 1.2218957333744223
Energy: 1.2061700871986445
Energy: 1.239210755832704
Energy: 1.2061700871986445
Energy: 1.2221663891199883
Energy: 1.3373109289146898
Energy: 1.222175304526935
Energy: 1.3373109289146898
Energy: 1.1988285391589262
Energy: 1.2060187210220694
Energy: 1.2219175781276557
Energy: 1.2060187210220694

minimum gb energy = 1.1988285391589262 eV
minimum distance =  2.2411965760542 Angstroms
sigma value = 13


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

Energy: 1.2212152581707953
Energy: 1.3946415803384307
Energy: 1.2082337540922705
Energy: 1.3946415803376797
Energy: 1.6224817958800068
Energy: 1.4218381952728965
Energy: 1.1648493242084241
Energy: 1.4218381952728965
Energy: 1.1786044997350655
Energy: 1.4453822316506895
Energy: 1.365066407474722
Energy: 1.4453822316506895
Energy: 1.1698544274311538
Energy: 1.4216034082660092
Energy: 1.1626834684842442
Energy: 1.4216034082660092
Energy: 1.1865728042638355
Energy: 1.445661143199737
Energy: 1.5322056888919082
Energy: 1.445661143199737
Energy: 1.1638651782751188
Energy: 1.3151614455089897
Energy: 1.1892681091668449
Energy: 1.3151614455089897
Energy: 1.186232730497873
Energy: 1.4134022689165129
Energy: 1.5336340667823105
Energy: 1.4134022689165129
Energy: 1.1626453286768959
Energy: 1.4747300569779322
Energy: 1.189167747928276
Energy: 1.4747300569779322
Energy: 1.1862657745778817
Energy: 1.4965909828555537
Energy: 1.336420407880531
Energy: 1.4965909828555537
Energy: 1.3461201031944847
Energy: 1.5193574017413387
Energy: 1.162386459182613
Energy: 1.5193574017413387
Energy: 1.1860199610524629
Energy: 1.4120045854592187
Energy: 1.1634684490173168
Energy: 1.4120045854592187
Energy: 1.4303467592453198
Energy: 1.6547449501222629
Energy: 1.1702464879172843
Energy: 1.6547449501222629
Energy: 1.2316230089387998
Energy: 1.4471524810888172
Energy: 1.1968808154011874
Energy: 1.4471524810888172
Energy: 1.3945698846996344
Energy: 1.5520886166299503
Energy: 1.1718343933311341
Energy: 1.5520886166299503
Energy: 1.185767134040866
Energy: 1.448942180648581
Energy: 1.1759270402096074
Energy: 1.448942180649332
Energy: 1.1661577526886968
Energy: 1.4078988888289614
Energy: 1.1588683735670517
Energy: 1.4078988888289614
Energy: 1.1821324008069913
Energy: 1.493165524240257
Energy: 1.159131023179927
Energy: 1.493165524240257
Energy: 1.1994208439631984
Energy: 1.4925805933435459
Energy: 1.1850010221269505
Energy: 1.4925805933435459
Energy: 1.1816334292188977
Energy: 1.493100603559357
Energy: 1.1846689707084175
Energy: 1.493100603559357
Energy: 1.1817398706513675
Energy: 1.493157123334631
Energy: 1.184955593631335
Energy: 1.493157123334631
Energy: 1.199337757209973
Energy: 1.4926156229036398
Energy: 1.184810234612935
Energy: 1.4926156229036398
Energy: 1.1821131628609756
Energy: 1.4932218260498993
Energy: 1.159189139886274
Energy: 1.4932218260498993
Energy: 1.1660964185034597
Energy: 1.4078735738553072
Energy: 1.1592790994562368
Energy: 1.4078735738553072
Energy: 1.1858046414818453
Energy: 1.4488648322611557
Energy: 1.1649862956156376
Energy: 1.4488648322611557
Energy: 1.3944548142256752
Energy: 1.5516513935247418
Energy: 1.1713876313175404
Energy: 1.5516513935247418
Energy: 1.2315284242138043
Energy: 1.4473774787367721
Energy: 1.1648767368643567
Energy: 1.4473774787367721
Energy: 1.4300960553040996
Energy: 1.654881140697483
Energy: 1.1712578189401395
Energy: 1.654881140697483
Energy: 1.1865806368414027
Energy: 1.4118475010843003
Energy: 1.1598600512415183
Energy: 1.4118475010843003
Energy: 1.3461708631550846
Energy: 1.5194055322116962
Energy: 1.1623790384938963
Energy: 1.5194055322116962
Energy: 1.1859542876794935
Energy: 1.4971610343280655
Energy: 1.2827879668404294
Energy: 1.4971610343280655
Energy: 1.1623361619262818
Energy: 1.4747463215653664
Energy: 1.1891821489276626
Energy: 1.4747463215653664
Energy: 1.1859666601988461
Energy: 1.4135750286411013
Energy: 1.3976554726587733
Energy: 1.4135750286411013
Energy: 1.1639945640840836
Energy: 1.3152679509767315
Energy: 1.1891816189247781
Energy: 1.3152679509767315
Energy: 1.185855791365885
Energy: 1.445607627054314
Energy: 1.4782312537190605
Energy: 1.445607627054314
Energy: 1.1698625910823284
Energy: 1.4217470097100122
Energy: 1.1626557909025816
Energy: 1.4217470097100122

minimum gb energy = 1.1588683735670517 eV
minimum distance =  2.19386015338355 Angstroms
sigma value = 37


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

Energy: 1.1325435632292151
Energy: 1.1322810672795258
Energy: 1.2165700258474557
Energy: 1.1322810672795258
Energy: 1.578850268776912
Energy: 1.3023406795477608
Energy: 1.077583842775351
Energy: 1.3023406795477608
Energy: 1.0904713697914294
Energy: 1.5614344732120689
Energy: 1.4759852083378155
Energy: 1.5614344732120689
Energy: 1.0661900522650594
Energy: 1.3023500445187752
Energy: 1.0773986263826083
Energy: 1.3023500445187752
Energy: 1.0754200168527301
Energy: 1.3032434090927898
Energy: 1.0654973142220014
Energy: 1.3032434090927898
Energy: 1.0657397483406157
Energy: 1.3023951424930709
Energy: 1.0691384936795443
Energy: 1.3023951424930709
Energy: 1.1081414385267063
Energy: 1.5151741622389752
Energy: 1.2705003138802782
Energy: 1.5151741622389752
Energy: 1.0753405463278398
Energy: 1.1328785027824295
Energy: 1.135606512918807
Energy: 1.1328785027837216
Energy: 1.0755995446165265
Energy: 1.3032563157248023
Energy: 1.2699252601341404
Energy: 1.3032563157248023
Energy: 1.428176287384881
Energy: 1.4455044543929447
Energy: 1.06915426870272
Energy: 1.4455044543929447
Energy: 1.108129293354418
Energy: 1.5155049482895513
Energy: 1.0657407407308814
Energy: 1.5155049482895513
Energy: 1.3675721760161001
Energy: 1.3055802874606053
Energy: 1.0774582010931022
Energy: 1.3055802874593132
Energy: 1.0651178502417822
Energy: 1.3032130653931382
Energy: 1.064826529587545
Energy: 1.3032130653931382
Energy: 1.270846676961746
Energy: 1.5171278405106101
Energy: 1.0754549023644158
Energy: 1.5171278405106101
Energy: 1.1314412564365655
Energy: 1.1958550078430572
Energy: 1.0752555193186666
Energy: 1.1958550078430572
Energy: 1.1320227983965254
Energy: 1.3045837425175764
Energy: 1.0776333535849638
Energy: 1.3045837425175764
Energy: 1.0650386865765797
Energy: 1.631500931650051
Energy: 1.088978171402551
Energy: 1.631500931650051
Energy: 1.0656532765668136
Energy: 1.516283186208223
Energy: 1.0754149862376492
Energy: 1.516283186208223
Energy: 1.0754246965241459
Energy: 1.303377569473637
Energy: 1.0753434888952131
Energy: 1.303377569473637
Energy: 1.0753969993287862
Energy: 1.3040619383354601
Energy: 1.0650864580789112
Energy: 1.3040619383354601

minimum gb energy = 1.064826529587545 eV
minimum distance =  2.21436705837136 Angstroms
sigma value = 25


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

Energy: 1.1399018877689397
Energy: 1.3002379512455515
Energy: 1.290952284399767
Energy: 1.3002379512455515
Energy: 1.514312202062208
Energy: 1.2727649209254732
Energy: 0.9954473975379992
Energy: 1.2727649209264822
Energy: 1.0665888384015467
Energy: 1.0667727782586196
Energy: 1.2357816687355418
Energy: 1.0667727782586196
Energy: 1.1806751848376662
Energy: 1.2323448392062004
Energy: 1.0010117530819003
Energy: 1.2323448392062004
Energy: 1.0149036322643423
Energy: 1.272851030041704
Energy: 1.0796772410270472
Energy: 1.272851030041704
Energy: 1.032025522521142
Energy: 1.2700096161639987
Energy: 1.0157428162383875
Energy: 1.2700096161639987
Energy: 0.998968181482345
Energy: 1.1215777413328947
Energy: 1.2467214375368771
Energy: 1.1215777413328947
Energy: 0.9731714059832928
Energy: 1.2414791728156989
Energy: 1.0686623425103214
Energy: 1.2414791728156989
Energy: 0.9970382448817965
Energy: 1.2730193084556871
Energy: 1.492784721584623
Energy: 1.2730193084556871
Energy: 0.9624063514599648
Energy: 1.2553314689677197
Energy: 1.0617004864056374
Energy: 1.2553314689677197
Energy: 0.9988507811052324
Energy: 1.1217741948157818
Energy: 1.2551510077824877
Energy: 1.1217741948157818
Energy: 1.2357711578297208
Energy: 1.3583115256020086
Energy: 1.0687119926492674
Energy: 1.3583115256030174
Energy: 1.003024537793829
Energy: 1.2327025601586994
Energy: 1.1803129840383728
Energy: 1.2327025601586994
Energy: 1.2139780789028851
Energy: 1.3741761628343063
Energy: 1.0156363769406678
Energy: 1.3741761628343063
Energy: 1.0140645463680535
Energy: 1.1916587863666965
Energy: 1.0317043899968932
Energy: 1.1916587863666965
Energy: 1.2465686807914138
Energy: 1.417050520389836
Energy: 0.9969249238839366
Energy: 1.417050520389836
Energy: 1.0740654869897899
Energy: 1.2422336658567796
Energy: 1.035770348925986
Energy: 1.2422336658567796
Energy: 1.2215820890527544
Energy: 1.2740873088579607
Energy: 0.9951745077337438
Energy: 1.2740873088579607
Energy: 1.1418876913530505
Energy: 1.3004450398846024
Energy: 0.9624810677145689
Energy: 1.3004450398846024
Energy: 1.3570726808796576
Energy: 1.4203230074418314
Energy: 0.9955358048772031
Energy: 1.4203230074418314
Energy: 1.0741971145861662
Energy: 1.5891345773458376
Energy: 0.9700589907123721
Energy: 1.5891345773458376
Energy: 1.0666686308820044
Energy: 1.2334560906317449
Energy: 1.0086226662140902
Energy: 1.2334560906317449
Energy: 1.0139670471665043
Energy: 1.3738781338827544
Energy: 1.214973927419234
Energy: 1.3738781338827544
Energy: 1.0316947049300862
Energy: 1.4213251611025373
Energy: 1.0138952980595524
Energy: 1.4213251611025373
Energy: 0.9959580552128093
Energy: 1.4172658433280931
Energy: 1.2463906334420523
Energy: 1.417265843329102
Energy: 0.9717094912811829
Energy: 1.2423861472412399
Energy: 1.0663489528173176
Energy: 1.2423861472412399

minimum gb energy = 0.9624063514599648 eV
minimum distance =  2.20938574535616 Angstroms
sigma value = 41


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

Energy: 1.1296181980995188
Energy: 1.129987348948763
Energy: 1.1823782557165057
Energy: 1.129987348948763
Energy: 1.4854805089021117
Energy: 1.1172862344573367
Energy: 0.8945885441092843
Energy: 1.1172862344565095
Energy: 0.9279836010060825
Energy: 1.1053740620297205
Energy: 1.1570763615858448
Energy: 1.1053740620297205
Energy: 1.1066009272411093
Energy: 1.1175979567272065
Energy: 0.8944410139005067
Energy: 1.1175979567272065
Energy: 0.8883595122946937
Energy: 1.1526528204432849
Energy: 0.8719654333987582
Energy: 1.1526528204432849
Energy: 0.9889461823915131
Energy: 1.1173718231961158
Energy: 0.8941396392853421
Energy: 1.1173718231961158
Energy: 0.8934186275088464
Energy: 1.1184722806516962
Energy: 1.0675709335669963
Energy: 1.1184722806516962
Energy: 0.8716099021722529
Energy: 1.029490100946245
Energy: 0.889460748946393
Energy: 1.029490100947072
Energy: 0.8975516635247172
Energy: 1.18133242911027
Energy: 1.1759746951619157
Energy: 1.18133242911027
Energy: 0.8727525083737725
Energy: 1.106202370792299
Energy: 0.9293213026372149
Energy: 1.106202370792299
Energy: 0.8931418605250987
Energy: 1.117648955533723
Energy: 1.2634731654099667
Energy: 1.117648955533723
Energy: 0.8761999245718096
Energy: 1.1304496177517778
Energy: 1.1306751480643222
Energy: 1.1304496177517778
Energy: 0.8975038545265791
Energy: 1.3915891966108793
Energy: 1.2633618147165422
Energy: 1.3915891966108793
Energy: 1.088229850702455
Energy: 1.460523606101491
Energy: 0.929190542958299
Energy: 1.460523606101491
Energy: 0.8932492978317259
Energy: 1.1180499783431435
Energy: 1.1066605804635556
Energy: 1.1180499783431435
Energy: 1.0831712817855772
Energy: 1.1777266720925477
Energy: 0.8897107828286565
Energy: 1.1777266720925477
Energy: 0.8975729320864381
Energy: 1.3914565236891792
Energy: 0.9887050690068903
Energy: 1.3914565236891792
Energy: 1.0676345820787299
Energy: 1.4229641268185702
Energy: 0.8943760951851939
Energy: 1.4229641268185702
Energy: 0.8930565987191903
Energy: 1.02990420913578
Energy: 0.8711668287375889
Energy: 1.02990420913578
Energy: 1.0565799018952329
Energy: 1.391973570429247
Energy: 0.8979258427593493
Energy: 1.391973570429247
Energy: 0.9325119190480441
Energy: 1.391486139187106
Energy: 0.8730440234842646
Energy: 1.391486139187106
Energy: 1.2638226595058466
Energy: 1.4604800374326838
Energy: 0.8943463326789644
Energy: 1.4604800374326838
Energy: 1.134686668141056
Energy: 1.131845384754408
Energy: 0.8761408562987371
Energy: 1.131845384754408
Energy: 1.1303377270366206
Energy: 1.3910018257282488
Energy: 0.8980265399270929
Energy: 1.3910018257282488
Energy: 0.9324656233723853
Energy: 1.6333524634880343
Energy: 0.8807961534543305
Energy: 1.6333524634880343
Energy: 1.1062381619489479
Energy: 1.6353045428100497
Energy: 0.8944707318834159
Energy: 1.6353045428100497
Energy: 0.8934186297312188
Energy: 1.3902637648998197
Energy: 1.0830818016967916
Energy: 1.3902637648998197
Energy: 0.8887886668507258
Energy: 1.3910906090384498
Energy: 0.898185787642539
Energy: 1.3910906090384498
Energy: 0.8976705515999291
Energy: 1.6331055420431793
Energy: 1.067558261156998
Energy: 1.633105542042352
Energy: 0.8713939183435768
Energy: 1.4379696522942953
Energy: 0.8988082940682562
Energy: 1.4379696522934682
Energy: 0.9027332777106091
Energy: 1.3920300291911083
Energy: 1.0560899041877427
Energy: 1.3920300291911083
Energy: 0.8755078135406595
Energy: 1.3912431978900044
Energy: 0.9380471960832634
Energy: 1.3912431978900044

minimum gb energy = 0.8711668287375889 eV
minimum distance =  2.20407681952513 Angstroms
sigma value = 15


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

Energy: 1.1049388387774046
Energy: 1.4905504340834144
Energy: 0.9722544035180752
Energy: 1.4905504340834144
Energy: 1.4735628360641755
Energy: 1.249787463102715
Energy: 0.8400967736924009
Energy: 1.249787463102715
Energy: 0.9260485492884213
Energy: 1.0400158459234123
Energy: 0.9796142044589349
Energy: 1.0400158459241131
Energy: 1.369254132345553
Energy: 1.0809522041958388
Energy: 0.8405615717397598
Energy: 1.0809522041965398
Energy: 0.8873663989056908
Energy: 1.327914259256521
Energy: 0.8806869132060439
Energy: 1.327914259256521
Energy: 1.0608816138936445
Energy: 1.2480552863650292
Energy: 0.8406960248115251
Energy: 1.2480552863650292
Energy: 0.8491243760699577
Energy: 1.0256717421754702
Energy: 1.0229573378898502
Energy: 1.0256717421754702
Energy: 0.9496434901398444
Energy: 1.0200209464329284
Energy: 0.8505247915175829
Energy: 1.020020946433629
Energy: 0.8423601568819415
Energy: 1.1016668635378422
Energy: 1.1800925205537196
Energy: 1.1016668635378422
Energy: 0.8520398573602379
Energy: 1.309470682795241
Energy: 0.887821166331334
Energy: 1.309470682795241
Energy: 0.8398024436141518
Energy: 1.0532664990728162
Energy: 1.210743717502751
Energy: 1.0532664990728162
Energy: 0.8092547125278411
Energy: 1.0770253028378662
Energy: 0.9265031908711047
Energy: 1.0770253028385668
Energy: 0.8425311839746491
Energy: 1.1094217909653734
Energy: 1.3302894791994906
Energy: 1.1094217909653734
Energy: 0.8067447765533837
Energy: 1.3290907637193012
Energy: 1.0395332612021668
Energy: 1.3290907637193012
Energy: 0.8396321584277388
Energy: 1.24814455519469
Energy: 1.2542540843654642
Energy: 1.24814455519469
Energy: 0.9790324617336436
Energy: 1.0766256452432008
Energy: 0.9263856560358812
Energy: 1.0766256452432008
Energy: 0.8426004926197151
Energy: 1.291975585851299
Energy: 1.1906236001284505
Energy: 1.291975585851299
Energy: 0.988054452211712
Energy: 1.3205252101641554
Energy: 0.8880560673859306
Energy: 1.3205252101641554
Energy: 0.841855404340899
Energy: 1.248442151538309
Energy: 1.060635886265236
Energy: 1.248442151538309
Energy: 1.0224809674324917
Energy: 1.050662024956734
Energy: 0.8506538607644426
Energy: 1.050662024956734
Energy: 0.8535439818933162
Energy: 1.2778752298952283
Energy: 0.9511128816521022
Energy: 1.2778752298952283
Energy: 1.0215880066867336
Energy: 1.1033954341827028
Energy: 0.8463941990683297
Energy: 1.1033954341827028
Energy: 0.8902079134937325
Energy: 1.2687155616489476
Energy: 0.8514612269927018
Energy: 1.2687155616489476
Energy: 1.2096723314011053
Energy: 1.2404387774024
Energy: 0.840147575484432
Energy: 1.2404387774024
Energy: 0.928667872937363
Energy: 1.297652508148471
Energy: 0.8537895335158459
Energy: 1.297652508148471
Energy: 1.206984436486341
Energy: 1.3059320720151721
Energy: 0.8463435697022855
Energy: 1.3059320720151721
Energy: 1.1081649603152777
Energy: 1.4845961446441358
Energy: 0.8057287794043138
Energy: 1.4845961446441358
Energy: 1.3341157165029973
Energy: 1.2489162069991542
Energy: 0.8399102819797696
Energy: 1.2489162069991542
Energy: 0.9286680386830058
Energy: 1.352373381382481
Energy: 0.8088294756250035
Energy: 1.352373381382481
Energy: 1.076076329444394
Energy: 1.294784435439113
Energy: 0.8462100045902807
Energy: 1.294784435439113
Energy: 0.8900198034042516
Energy: 1.4887485045948627
Energy: 0.987373569383332
Energy: 1.4887485045948627
Energy: 1.0605596945677174
Energy: 1.24889388198519
Energy: 0.8439736290470939
Energy: 1.24889388198519
Energy: 0.8532324289150578
Energy: 1.351343824318985
Energy: 1.0221876173994457
Energy: 1.351343824318985
Energy: 0.8626801795072552
Energy: 1.2783598420057791
Energy: 0.8579395438686725
Energy: 1.2783598420057791
Energy: 0.8315896276821442
Energy: 1.4904285006108529
Energy: 1.0209663128975728
Energy: 1.4904285006108529
Energy: 0.8511287291368506
Energy: 1.2702207372912926
Energy: 0.8942103429796222
Energy: 1.2702207372912926
Energy: 0.8423958983420142
Energy: 1.3358915051451876
Energy: 1.2097112671494046
Energy: 1.3358915051451876

minimum gb energy = 0.8057287794043138 eV
minimum distance =  2.21805450478279 Angstroms
sigma value = 85


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

Energy: 1.0049829384059155
Energy: 1.01971018386812
Energy: 1.0930233952691415
Energy: 1.01971018386812
Energy: 1.3978758274558742
Energy: 0.9855489006611874
Energy: 0.778653801041788
Energy: 0.9855489006611874
Energy: 0.9520879644235055
Energy: 0.9522520160143315
Energy: 0.9893501789421133
Energy: 0.9522520160143315
Energy: 1.3075750260107915
Energy: 0.9854729943439006
Energy: 0.7787304517376682
Energy: 0.9854729943439006
Energy: 0.8235416040716516
Energy: 0.9162677263385364
Energy: 0.7294814117479498
Energy: 0.9162677263385364
Energy: 1.006210966341297
Energy: 1.045890396109562
Energy: 0.7785772992613441
Energy: 1.045890396109562
Energy: 0.7750333294672924
Energy: 0.9774819711550651
Energy: 0.8810112658520479
Energy: 0.9774819711550651
Energy: 0.8976117862395255
Energy: 0.9858235417126185
Energy: 0.7783759947284721
Energy: 0.9858235417132262
Energy: 0.7780541768032736
Energy: 0.933349019988159
Energy: 0.938623331416298
Energy: 0.933349019988159
Energy: 0.8138967029516383
Energy: 0.9783312551085324
Energy: 0.775621602490892
Energy: 0.9783312551085324
Energy: 0.7799993800835068
Energy: 0.984265604215268
Energy: 1.0372933363016237
Energy: 0.984265604215268
Energy: 0.7304607047061701
Energy: 1.0728496100421092
Energy: 0.8245576671848801
Energy: 1.0728496100421092
Energy: 0.7778381545554294
Energy: 0.9334310118616753
Energy: 1.1408906520495776
Energy: 0.9334310118616753
Energy: 0.7312291845630321
Energy: 0.9524753991525302
Energy: 0.9529591953227431
Energy: 0.9524753991525302
Energy: 0.7793592050661112
Energy: 1.1457402981247036
Energy: 1.2465594957268764
Energy: 1.1457402981240958
Energy: 0.7327683298005494
Energy: 1.0776334563434409
Energy: 1.005714632359425
Energy: 1.0776334563440488
Energy: 0.7778068565153651
Energy: 0.9331770415040097
Energy: 1.2462704346498015
Energy: 0.9331770415040097
Energy: 0.8884030590760543
Energy: 0.952551668695256
Energy: 0.9530246835898425
Energy: 0.952551668695256
Energy: 0.7803487085090314
Energy: 1.0467825981631287
Energy: 1.1167463376669842
Energy: 1.0467825981631287
Energy: 0.8880703285621291
Energy: 1.311259468993489
Energy: 0.8245940653889839
Energy: 1.311259468993489
Energy: 0.7775945211477179
Energy: 0.933067178575082
Energy: 1.0063720556324875
Energy: 0.933067178575082
Energy: 0.8803539701762857
Energy: 0.9853465933958555
Energy: 0.7758637294505469
Energy: 0.9853465933952478
Energy: 0.7796316727694952
Energy: 0.9852236252099014
Energy: 0.8973940380381042
Energy: 0.9852236252099014
Energy: 0.8860427117524143
Energy: 1.0986565182996018
Energy: 0.7788120479326415
Energy: 1.0986565182996018
Energy: 0.7777596148563263
Energy: 0.8884883978215923
Energy: 0.8133471126723096
Energy: 0.8884883978215923
Energy: 1.0368652538931251
Energy: 0.9858636901079426
Energy: 0.778203325192642
Energy: 0.9858636901079426
Energy: 0.8263015467453005
Energy: 0.9858277137501588
Energy: 0.729832493026193
Energy: 0.9858277137501588
Energy: 1.043516212676791
Energy: 1.158947701280906
Energy: 0.7784369617647601
Energy: 1.1589477012802982
Energy: 0.9553726877014167
Energy: 0.9538533239436813
Energy: 0.7346152725560198
Energy: 0.9538533239436813
Energy: 1.2465946245098156
Energy: 0.9853751907254089
Energy: 0.7781258422600223
Energy: 0.9853751907254089
Energy: 1.0080235415273167
Energy: 1.0178941916465591
Energy: 0.7326258924727046
Energy: 1.0178941916465591
Energy: 1.139967357357312
Energy: 1.1014208773434286
Energy: 0.7786971288130694
Energy: 1.1014208773434286
Energy: 0.9553503200319253
Energy: 0.9535928322722345
Energy: 0.7347193336186674
Energy: 0.9535928322722345
Energy: 1.1166096782006323
Energy: 0.9854907274266975
Energy: 0.7784764905336901
Energy: 0.9854907274266975
Energy: 0.826065658522242
Energy: 1.2498629284467748
Energy: 0.8880211758081029
Energy: 1.2498629284467748
Energy: 0.9162647288863278
Energy: 1.3917961895290631
Energy: 0.7784291711184859
Energy: 1.3917961895290631
Energy: 0.7778625231030383
Energy: 0.9858952967143814
Energy: 0.8801095298802102
Energy: 0.9858952967143814
Energy: 0.8966004672224978
Energy: 0.9852468559710128
Energy: 0.7788373238617227
Energy: 0.9852468559716205
Energy: 0.7806225075510993
Energy: 1.2475204286335035
Energy: 0.8858713503111542
Energy: 1.2475204286335035
Energy: 0.7440720565382151
Energy: 1.093076238927003
Energy: 0.7814063780899967
Energy: 1.0930762389276105
Energy: 0.7777251134447717
Energy: 0.986433613524629
Energy: 1.0369503248111163
Energy: 0.9864336135240213
Energy: 0.7298843288618756
Energy: 0.985772491336283
Energy: 0.8287356235044481
Energy: 0.985772491336283
Energy: 0.7808000949251025
Energy: 1.2476880743436738
Energy: 1.0429986287122974
Energy: 1.2476880743436738

minimum gb energy = 0.7294814117479498 eV
minimum distance =  2.23898257871143 Angstroms
sigma value = 113


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

Energy: 0.013151071999567653
Energy: 0.01414708776828725
Energy: 1.19046542979993
Energy: 0.01414708776828725
Energy: 1.1890769097445633
Energy: 1.5319317557382333
Energy: 0.47146385409080166
Energy: 1.5319317557382333
Energy: 0.013151071999567653
Energy: 0.01414708776828725
Energy: 1.19046542979993
Energy: 0.01414708776828725
Energy: 1.1890769097445633
Energy: 1.5319317557382333
Energy: 0.47146385409080166
Energy: 1.5319317557382333
Energy: 0.013151071999567653
Energy: 0.01414708776828725
Energy: 1.19046542979993
Energy: 0.01414708776828725
Energy: 1.1890769097445633
Energy: 1.5319317557382333
Energy: 0.47146385409080166
Energy: 1.5319317557382333

minimum gb energy = 0.013151071999567653 eV
minimum distance =  2.47255604545148 Angstroms
sigma value = 1