Model name: model_name=MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_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=3.521391771733761
cohesive_energy=4.450349977833565
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018146669697655923
Energy: 0.018404676684383017
Energy: 1.4669368693007596
Energy: 0.018404676684383017
Energy: 0.018404676684383017
Energy: 1.224320526818011
Energy: 0.018404676684383017
Energy: 1.224320526818011
Energy: 1.4669368693001354
Energy: 0.018404676684383017
Energy: 0.018146669696994914
Energy: 0.018404676684383017
Energy: 0.018404676684383017
Energy: 1.224320526818011
Energy: 0.018404676684383017
Energy: 1.224320526818011

minimum gb energy = 0.018146669696994914 eV
minimum distance =  2.42645587101233 Angstroms
sigma value = 1


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

Energy: 1.568371516028723
Energy: 1.5483788947009305
Energy: 1.4472806607594524
Energy: 1.548378894700129
Energy: 1.445390255515934
Energy: 1.4949933656532246
Energy: 1.4530573699758316
Energy: 1.4949933656540262
Energy: 1.4030913231701627
Energy: 1.5344869065645614
Energy: 1.488837351839062
Energy: 1.5344869065645614
Energy: 1.436978111892059
Energy: 1.50708626077935
Energy: 1.4015837879176796
Energy: 1.5070862607809534
Energy: 1.4090089481371988
Energy: 1.554576208349788
Energy: 1.4702485797489013
Energy: 1.554576208349788
Energy: 1.3783672988469196
Energy: 1.7187146385480419
Energy: 1.3768915910268247
Energy: 1.7187146385472403
Energy: 1.4493581534393436
Energy: 1.5319393509520085
Energy: 1.3800390785226295
Energy: 1.53193935095281
Energy: 1.32091326262515
Energy: 1.5575996717714555
Energy: 1.3764567025145151
Energy: 1.5575996717714555
Energy: 1.4007393874913334
Energy: 1.7368694590779807
Energy: 1.4663372037067854
Energy: 1.7368694590779807
Energy: 1.3650355870479811
Energy: 1.5331768258046325
Energy: 1.3130180669198237
Energy: 1.5331768258046325
Energy: 1.473110454586241
Energy: 1.5133799721474934
Energy: 1.4006977473833933
Energy: 1.5133799721474934
Energy: 1.4634861745223768
Energy: 1.5548716947791352
Energy: 1.380843176716414
Energy: 1.5548716947791352
Energy: 1.4509485521423542
Energy: 1.530568416359619
Energy: 1.4479435434926167
Energy: 1.530568416357214
Energy: 1.417334852164991
Energy: 1.5392512497658088
Energy: 1.3897759880813283
Energy: 1.5392512497642055
Energy: 1.431005163116035
Energy: 1.549359564636331
Energy: 1.4450631116317285
Energy: 1.5493595646371325
Energy: 1.4291541809362367
Energy: 1.548848790688805
Energy: 1.4444826351292652
Energy: 1.5488487906896065
Energy: 1.489031026155474
Energy: 1.5344855282763952
Energy: 1.364333346997789
Energy: 1.5344855282771968
Energy: 1.4530421357147436
Energy: 1.5033812021318358
Energy: 1.483866838514745
Energy: 1.5033812021326374
Energy: 1.3348962819928167
Energy: 1.5541552249256891
Energy: 1.3792822138382699
Energy: 1.5541552249256891
Energy: 1.4836325278615716
Energy: 1.71558181641417
Energy: 1.4031586075643536
Energy: 1.7155818164149716
Energy: 1.3798982051762965
Energy: 1.5345799114391858
Energy: 1.3258998508351265
Energy: 1.5345799114383842
Energy: 1.4010575760518684
Energy: 1.4249402733724565
Energy: 1.4627997606936327
Energy: 1.4249402733732581
Energy: 1.4312388051386267
Energy: 1.5545557357942554
Energy: 1.363397182841519
Energy: 1.554555735795057
Energy: 1.413803726510217
Energy: 1.530354423699737
Energy: 1.3783084660866791
Energy: 1.530354423699737
Energy: 1.3800304945244761
Energy: 1.7189266545494903
Energy: 1.4481579324473106
Energy: 1.7189266545494903
Energy: 1.4057784625074692
Energy: 1.5554626238241915
Energy: 1.3946161072879144
Energy: 1.55546262382339
Energy: 1.4406070034351826
Energy: 1.7472174579092907
Energy: 1.400629377730206
Energy: 1.7472174579108941
Energy: 1.39131846722388
Energy: 1.530548769641431
Energy: 1.5459706794170478
Energy: 1.530548769641431
Energy: 1.4442150047148907
Energy: 1.491314482200208
Energy: 1.4477475860348228
Energy: 1.4913144821994064
Energy: 1.5149434340243493
Energy: 1.5500371664505626
Energy: 1.4633155308924264
Energy: 1.5500371664505626
Energy: 1.4494429271000164
Energy: 1.5378067977567373
Energy: 1.4509127089130156
Energy: 1.5378067977559358
Energy: 1.4157010636236798
Energy: 1.5297164428370404
Energy: 1.4168168686597413
Energy: 1.529716442837842
Energy: 1.4087944047099756
Energy: 1.507695155979525
Energy: 1.406016174607379
Energy: 1.5076951559803267

minimum gb energy = 1.3130180669198237 eV
minimum distance =  2.24139063830606 Angstroms
sigma value = 1


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

Energy: 1.664600079061856
Energy: 1.6474105077525782
Energy: 1.58430129135982
Energy: 1.6474105077507502
Energy: 1.4951014022826832
Energy: 1.5878676750789618
Energy: 1.5109115465841831
Energy: 1.5878676750798757
Energy: 1.4562655228246095
Energy: 1.6505578039184567
Energy: 1.531709009683468
Energy: 1.6505578039166287
Energy: 1.448691239658746
Energy: 1.4632440862845864
Energy: 1.436058350434112
Energy: 1.4632440862845864
Energy: 1.448783408511485
Energy: 1.619857679240175
Energy: 1.5281450393054277
Energy: 1.6198576792410893
Energy: 1.5505673959227848
Energy: 1.6199917257533287
Energy: 1.532074878183157
Energy: 1.6199917257515004
Energy: 1.4950700287959722
Energy: 1.4636729367481767
Energy: 1.4687669717475043
Energy: 1.4636729367490908
Energy: 1.3669791527332622
Energy: 1.6511014242248063
Energy: 1.4029773073137422
Energy: 1.6511014242229787
Energy: 1.4493771613209558
Energy: 2.0806126929874385
Energy: 1.5504652074277878
Energy: 2.0806126929865245
Energy: 1.4373715112832015
Energy: 1.6506352414389864
Energy: 1.5061582914483875
Energy: 1.6506352414408145
Energy: 1.4962236355538148
Energy: 1.56781875885778
Energy: 1.5180949089844957
Energy: 1.567818758856866
Energy: 1.4093943272838738
Energy: 1.6319499506547503
Energy: 1.5763497871181151
Energy: 1.6319499506574924
Energy: 1.5349502489676228
Energy: 1.6144916700921508
Energy: 1.4942773230933668
Energy: 1.6144916700903227
Energy: 1.5348695237263934
Energy: 1.6145150012424094
Energy: 1.5179017586365482
Energy: 1.6145150012414955
Energy: 1.4092307846557515
Energy: 1.6319306549581145
Energy: 1.5734538036544812
Energy: 1.6319306549562864
Energy: 1.496084519695984
Energy: 1.5676703957092244
Energy: 1.4679880934198297
Energy: 1.5676703957083107
Energy: 1.4376100950703556
Energy: 1.6503653651223003
Energy: 1.5050516439463815
Energy: 1.6503653651213863
Energy: 1.449540648622714
Energy: 2.0806698923412315
Energy: 1.5503664074783594
Energy: 2.0806698923412315
Energy: 1.366960958523029
Energy: 1.6504151173740447
Energy: 1.4208915168371357
Energy: 1.6504151173722166
Energy: 1.4950247553385738
Energy: 1.4634934824081849
Energy: 1.4304531860081224
Energy: 1.4634934824081849
Energy: 1.5504769465757513
Energy: 1.6200156856104777
Energy: 1.5465358524435113
Energy: 1.6200156856086496
Energy: 1.4490225707388207
Energy: 1.6198840382371409
Energy: 1.4902444393345553
Energy: 1.6198840382362267
Energy: 1.4488516771475775
Energy: 1.4631821880699185
Energy: 1.4666680227193967
Energy: 1.4631821880671767
Energy: 1.4562733359665296
Energy: 1.6505762657420247
Energy: 1.5590588351178578
Energy: 1.6505762657429386
Energy: 1.4952525585733498
Energy: 1.5937149274800095
Energy: 1.510672010660769
Energy: 1.5937149274800095
Energy: 1.664600079061856
Energy: 1.6474105077525782
Energy: 1.6512297906905824
Energy: 1.6474105077507502
Energy: 1.4951014022826832
Energy: 1.5878676750798757
Energy: 1.5109115465841831
Energy: 1.5878676750780476
Energy: 1.4562655228246095
Energy: 1.6505578039184567
Energy: 1.5764940737767132
Energy: 1.6505578039166287
Energy: 1.44869123965966
Energy: 1.4632440862845864
Energy: 1.4304741032717696
Energy: 1.4632440862855003

minimum gb energy = 1.366960958523029 eV
minimum distance =  2.2388754024016 Angstroms
sigma value = 25


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

Energy: 1.6444044241968074
Energy: 1.7251144517887382
Energy: 1.68329372886938
Energy: 1.7251144517876755
Energy: 1.6019590747108599
Energy: 1.6820372312602347
Energy: 1.5415355761031266
Energy: 1.6820372312602347
Energy: 1.5303676467113667
Energy: 1.7662590834377425
Energy: 1.606751155158829
Energy: 1.7662590834377425
Energy: 1.5509353008951667
Energy: 1.5401353927211425
Energy: 1.5096359918340356
Energy: 1.5401353927222052
Energy: 1.5375405773269497
Energy: 1.7144986897420422
Energy: 1.5680912245646907
Energy: 1.7144986897420422
Energy: 1.638694541922434
Energy: 1.7679971941443002
Energy: 1.636753751792522
Energy: 1.7679971941453143
Energy: 1.586148061899976
Energy: 1.7357244129848384
Energy: 1.5250643668611117
Energy: 1.7357244129848384
Energy: 1.6761732899876245
Energy: 1.7218030339134773
Energy: 1.4762387730462414
Energy: 1.7218030339134773
Energy: 1.525178015486277
Energy: 1.6628263129882523
Energy: 1.586090678259064
Energy: 1.6628263129882523
Energy: 1.6040580869435956
Energy: 1.7680539687484167
Energy: 1.5605882174863104
Energy: 1.7680539687484167
Energy: 1.5794387870434372
Energy: 1.7137566585677517
Energy: 1.5858721853933968
Energy: 1.7137566585677517
Energy: 1.5490118213188964
Energy: 1.7233887858860177
Energy: 1.5231350035648026
Energy: 1.7233887858860177
Energy: 1.5582194281491355
Energy: 1.7426408290090059
Energy: 1.5042267536470353
Energy: 1.7426408290079434
Energy: 1.5769943274103637
Energy: 1.5241127748327095
Energy: 1.598251605935402
Energy: 1.5241127748157086
Energy: 1.4562850671238046
Energy: 1.7189336417998908
Energy: 1.4737843329705294
Energy: 1.7189336418009533
Energy: 1.5477786313095228
Energy: 1.6290965041334606
Energy: 1.5374748741921538
Energy: 1.6290965041334606
Energy: 1.449377074646357
Energy: 1.7693971731747054
Energy: 1.4493273822093864
Energy: 1.7693971731736426
Energy: 1.4856121024517188
Energy: 1.6518476366485815
Energy: 1.5514169732773417
Energy: 1.6518476366464563
Energy: 1.5014084800363288
Energy: 1.7391437398463447
Energy: 1.4869530430649356
Energy: 1.7391437398452823
Energy: 1.6765418858305956
Energy: 1.7673616436247244
Energy: 1.557547484278183
Energy: 1.767361643623662
Energy: 1.5391325237226
Energy: 1.6299319155788858
Energy: 1.5616342263689527
Energy: 1.6299319155778236
Energy: 1.6188559120377428
Energy: 1.7251902585926582
Energy: 1.6900070468669308
Energy: 1.7251902585915955
Energy: 1.6019388862582649
Energy: 1.684390720340984
Energy: 1.5409678325873266
Energy: 1.6843907203377964
Energy: 1.528292737768268
Energy: 1.7649369261364072
Energy: 1.6040777723366326
Energy: 1.7649369261353447
Energy: 1.586243957181001
Energy: 1.5430866165184054
Energy: 1.5097720923223108
Energy: 1.5430866165184054

minimum gb energy = 1.4493273822093864 eV
minimum distance =  2.24248394489881 Angstroms
sigma value = 9


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

Energy: 1.629864463244556
Energy: 1.6301340555044468
Energy: 1.8283442024354366
Energy: 1.6301340555044468
Energy: 1.568872131372677
Energy: 1.7266206136149116
Energy: 1.5892060943195667
Energy: 1.7266206136149116
Energy: 1.6050787314464428
Energy: 1.6469642147663193
Energy: 1.5926619710635699
Energy: 1.646964214765052
Energy: 1.8990643113191548
Energy: 1.6144300320755993
Energy: 1.519727410745574
Energy: 1.614430032076867
Energy: 1.73383509322655
Energy: 1.7277708245358243
Energy: 1.8488652887225472
Energy: 1.7277708245358243
Energy: 1.4686374527559154
Energy: 1.645994855381661
Energy: 1.6404963474631957
Energy: 1.645994855381661
Energy: 1.584162905566487
Energy: 1.518912075300054
Energy: 1.5199471578842656
Energy: 1.518912075300054
Energy: 1.666636819270678
Energy: 1.6458976203716482
Energy: 1.502124151900173
Energy: 1.6458976203716482
Energy: 1.5850084458642095
Energy: 1.7265401767738322
Energy: 1.5894487818555767
Energy: 1.7265401767725645
Energy: 1.623117510396508
Energy: 1.6307670645048074
Energy: 1.6408475009990497
Energy: 1.63076706450354
Energy: 1.5284112162288692
Energy: 1.7432612580632367
Energy: 1.5471330271403674
Energy: 1.7432612580645042
Energy: 1.6247110269716942
Energy: 1.716544810052477
Energy: 1.519914296046294
Energy: 1.716544810052477
Energy: 1.4683433190897044
Energy: 1.6470652965826909
Energy: 1.664652598591315
Energy: 1.6470652965839583
Energy: 1.6027310091994467
Energy: 1.601494260345569
Energy: 1.5881939109270065
Energy: 1.601494260345569
Energy: 1.4683545542668837
Energy: 1.6470801922090912
Energy: 1.6669481332717642
Energy: 1.6470801922103586
Energy: 1.6248074664038137
Energy: 1.7164354454916553
Energy: 1.5201381292913767
Energy: 1.7164354454916553
Energy: 1.528652092686046
Energy: 1.7432857777156896
Energy: 1.6200772240523085
Energy: 1.743285777714422
Energy: 1.6231514962094802
Energy: 1.6305777866537334
Energy: 1.641006255091717
Energy: 1.630577786652466
Energy: 1.584822307638047
Energy: 1.7268996394399967
Energy: 1.5893719090118494
Energy: 1.7268996394399967
Energy: 1.6668166861200029
Energy: 1.6461403528863063
Energy: 1.502120291407987
Energy: 1.6461403528863063
Energy: 1.584034918601756
Energy: 1.5190117059771657
Energy: 1.5201340296613735
Energy: 1.5190117059784332

minimum gb energy = 1.4683433190897044 eV
minimum distance =  2.32865505003639 Angstroms
sigma value = 25


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

Energy: 1.5413556959338635
Energy: 1.889729989313439
Energy: 1.9049217594621408
Energy: 1.889729989313439
Energy: 1.5136640525400842
Energy: 1.5554248622109728
Energy: 1.4939002410045958
Energy: 1.5554248622094056
Energy: 1.704079239401428
Energy: 1.7959422391961923
Energy: 1.4942832890579183
Energy: 1.7959422391977602
Energy: 1.5398740656783831
Energy: 1.7783153787583164
Energy: 1.7532809831067435
Energy: 1.7783153787551813
Energy: 1.752650310644364
Energy: 1.513334429534029
Energy: 1.6336733170811422
Energy: 1.513334429534029
Energy: 1.4934117007241723
Energy: 1.7943755292172574
Energy: 1.7026366627840122
Energy: 1.7943755292172574
Energy: 1.5563782814618972
Energy: 1.7350541228523733
Energy: 1.4933514260284884
Energy: 1.7350541228523733
Energy: 1.7325647494141345
Energy: 1.6297289463499842
Energy: 1.5403715611484967
Energy: 1.6297289463562188
Energy: 1.4941848983319614
Energy: 1.6329952651168518
Energy: 1.515939235862624
Energy: 1.6329952651168518
Energy: 1.7931335430814879
Energy: 1.661648436597013
Energy: 1.70235995650373
Energy: 1.661648436597013
Energy: 1.6473418924402434
Energy: 1.7774670722177568
Energy: 1.9858500604337153
Energy: 1.7774670722177568
Energy: 1.4937663287526552
Energy: 1.5623132812474254
Energy: 1.793958383117304
Energy: 1.5623132812474254
Energy: 1.742375854113958
Energy: 1.7948992088338307
Energy: 1.493317836047983
Energy: 1.7948992088353979
Energy: 1.4940648514271366
Energy: 1.7599377142720152
Energy: 1.75017993766305
Energy: 1.7599377142720152
Energy: 1.4936815088259079
Energy: 1.757336333902819
Energy: 1.7325506593584261
Energy: 1.757336333902819
Energy: 1.5133395137640953
Energy: 1.6620924354836384
Energy: 1.4935132374442768
Energy: 1.662092435488341
Energy: 1.4934203786984475
Energy: 1.6379693645704807
Energy: 1.793497574491628
Energy: 1.637969364568913

minimum gb energy = 1.493317836047983 eV
minimum distance =  2.32101753723124 Angstroms
sigma value = 17


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

Energy: 1.673134129245709
Energy: 1.673666980396646
Energy: 2.009406143484563
Energy: 1.673666980396646
Energy: 1.763404938120128
Energy: 1.7048434258914162
Energy: 1.5267604347684691
Energy: 1.7048434258905285
Energy: 1.9351891139645174
Energy: 1.6648375066447207
Energy: 1.5254048703294116
Energy: 1.6648375066447207
Energy: 1.5278585591596154
Energy: 1.8661098527581432
Energy: 1.6836195049289522
Energy: 1.8661098527581432
Energy: 1.8239183949194062
Energy: 1.6445500638570854
Energy: 1.6010343716617852
Energy: 1.644550063857973
Energy: 1.5449738881406443
Energy: 1.6965620996444692
Energy: 1.902540844356103
Energy: 1.6965620996444692
Energy: 1.5278749777084972
Energy: 1.7024884554598898
Energy: 1.6149339836243084
Energy: 1.7024884554590023
Energy: 1.934108117927486
Energy: 1.6952982043005658
Energy: 1.5430748331986583
Energy: 1.695298204299678
Energy: 1.5442454073014915
Energy: 1.698224808551559
Energy: 1.817872206629171
Energy: 1.698224808551559
Energy: 1.9249761878992222
Energy: 1.6431262745304716
Energy: 1.526207703313755
Energy: 1.6431262745304716
Energy: 1.531583601849352
Energy: 1.7083305686410764
Energy: 1.931612536582057
Energy: 1.7083305686410764
Energy: 1.544597769972389
Energy: 1.7004912109931773
Energy: 1.5447720406220538
Energy: 1.7004912109922894
Energy: 1.755425784960357
Energy: 1.6736267702637828
Energy: 1.6799328592628882
Energy: 1.6736267702646708
Energy: 1.5254906680029703
Energy: 1.7226939677625164
Energy: 1.7653965499983555
Energy: 1.7226939677634039
Energy: 1.6972009884932437
Energy: 1.7034133484179834
Energy: 1.5442520028051858
Energy: 1.7034133484179834
Energy: 1.7595297236739253
Energy: 1.6948140620316094
Energy: 1.7941653501061245
Energy: 1.6948140620316094
Energy: 1.6142264305342577
Energy: 1.765086919766774
Energy: 1.9347050453112948
Energy: 1.7650869197658863
Energy: 1.8749475285528587
Energy: 1.6688040443627117
Energy: 1.5447971141034555
Energy: 1.668804044360936
Energy: 1.6944010816868729
Energy: 1.7616968287952355
Energy: 1.632578660715325
Energy: 1.7616968287961232
Energy: 1.613347128595482
Energy: 1.8670242794293128
Energy: 1.6629718878147086
Energy: 1.8670242794275371
Energy: 1.6587808063121994
Energy: 1.6637405901373312
Energy: 1.788542236069864
Energy: 1.6637405901373312
Energy: 1.6135197218653292
Energy: 1.8469693759417884
Energy: 1.960398306565777
Energy: 1.8469693759426762
Energy: 1.8092162316558986
Energy: 1.6739910278028907
Energy: 1.5247857965559029
Energy: 1.6739910278028907
Energy: 1.5448994679077923
Energy: 1.7615717642181687
Energy: 1.9156467849703545
Energy: 1.7615717642190567
Energy: 1.6418487298495106
Energy: 1.6640522907887119
Energy: 1.920104126482783
Energy: 1.6640522907895998
Energy: 1.8101361162702696
Energy: 1.7086981542612913
Energy: 1.526834901705604
Energy: 1.7086981542604034
Energy: 1.5674946110278722
Energy: 1.7742924077389344
Energy: 1.991641385217898
Energy: 1.7742924077380464
Energy: 1.7564622111459032
Energy: 1.6951900408503089
Energy: 1.790256894971585
Energy: 1.6951900408494212
Energy: 1.8995122288040271
Energy: 1.8113710013665756
Energy: 1.5271835887002123
Energy: 1.8113710013665756
Energy: 1.5427063990372343
Energy: 1.759164456223648
Energy: 1.8735988653828963
Energy: 1.75916445622276

minimum gb energy = 1.5247857965559029 eV
minimum distance =  2.2152486060268 Angstroms
sigma value = 53


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

Energy: 1.4290652185999462
Energy: 1.4287322658091264
Energy: 1.9726573323992476
Energy: 1.4287322658111703
Energy: 1.7944557498502147
Energy: 1.6216729683626503
Energy: 1.6186030516099235
Energy: 1.6216729683626503
Energy: 1.4606049859821657
Energy: 1.4286141541119972
Energy: 1.7673138266580763
Energy: 1.4286141541119972
Energy: 1.460711974562559
Energy: 1.4287116855735127
Energy: 1.6583405230507287
Energy: 1.4287116855735127
Energy: 1.794520540504422
Energy: 1.621616293660679
Energy: 1.8763324626704367
Energy: 1.6216162936627228
Energy: 1.4290652185999462
Energy: 1.4287322658091264
Energy: 2.1463573320214095
Energy: 1.4287322658111703
Energy: 1.7944557498502147
Energy: 1.621672968364694
Energy: 1.6438204729549888
Energy: 1.6216729683626503
Energy: 1.460604985980122
Energy: 1.4286141541140411
Energy: 1.7673138266580763
Energy: 1.4286141541119972
Energy: 1.460711974562559
Energy: 1.4287116855755566
Energy: 1.7899162874481525
Energy: 1.4287116855735127
Energy: 1.794520540504422
Energy: 1.621616293660679
Energy: 1.8763324626704367
Energy: 1.6216162936627228
Energy: 1.4290652185999462
Energy: 1.4287322658091264
Energy: 2.1463573320193654
Energy: 1.4287322658111703
Energy: 1.7944557498502147
Energy: 1.6216729683626503
Energy: 1.7908446848866009
Energy: 1.6216729683626503
Energy: 1.460604985980122
Energy: 1.4286141541119972
Energy: 1.7673138266580763
Energy: 1.4286141541119972

minimum gb energy = 1.4286141541119972 eV
minimum distance =  2.2963178289922 Angstroms
sigma value = 9


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

Energy: 1.570417325930476
Energy: 1.8003583271172805
Energy: 2.1479384837110302
Energy: 1.800358327118037
Energy: 1.8945158751501965
Energy: 1.6835352075530146
Energy: 1.6163944133459427
Energy: 1.6835352075530146
Energy: 1.6347154220736089
Energy: 1.5544483614024058
Energy: 1.5971105826255614
Energy: 1.5544483614016493
Energy: 1.8777871211709407
Energy: 1.8858913126127992
Energy: 1.6178874353675952
Energy: 1.8858913126127992
Energy: 1.8628078474861836
Energy: 1.6446380609371687
Energy: 1.6521840436724606
Energy: 1.644638060937925
Energy: 1.5540315809693508
Energy: 1.5529114098414836
Energy: 1.898074274696245
Energy: 1.552911409840727
Energy: 2.173197499498061
Energy: 1.6394952681319221
Energy: 1.6171272439718583
Energy: 1.6394952681326787
Energy: 1.646291527591701
Energy: 1.8940076770669225
Energy: 1.9002317588926374
Energy: 1.8940076770669225
Energy: 1.6380791812795874
Energy: 1.893120257170917
Energy: 1.5525625719963747
Energy: 1.8931202571716734
Energy: 1.619421106693828
Energy: 1.6815521009158518
Energy: 1.613907849093386
Energy: 1.6815521009158518
Energy: 1.6480298101556907
Energy: 1.8827440855995021
Energy: 2.1578014871530917
Energy: 1.8827440855995021
Energy: 1.8964144600106
Energy: 1.8196072678938198
Energy: 1.613906344293827
Energy: 1.8196072678938198
Energy: 1.6416289251390446
Energy: 1.6837926486045147
Energy: 2.020105843637218
Energy: 1.6837926486060277
Energy: 1.880321874293337
Energy: 1.9322648208338111
Energy: 1.576557774053356
Energy: 1.9322648208330546
Energy: 1.6211151833303972
Energy: 1.8074292108663057
Energy: 1.8591251225068492
Energy: 1.8074292108663057
Energy: 1.6467707282136625
Energy: 1.8882339654251492
Energy: 1.9064680755820202
Energy: 1.8882339654251492
Energy: 1.7513340993591127
Energy: 1.8062409157283916
Energy: 1.621187006616912
Energy: 1.8062409157291481
Energy: 1.6491172881720935
Energy: 1.639664522399607
Energy: 1.8721250105755332
Energy: 1.639664522399607
Energy: 1.9304122841693174
Energy: 1.680297458728314
Energy: 1.55756610087088
Energy: 1.6802974587290704
Energy: 1.6126808491251343
Energy: 1.699062984027435
Energy: 1.7701596814515341
Energy: 1.6990629840266787
Energy: 1.8912908944406992
Energy: 1.8841065338974918
Energy: 1.8930992469688823
Energy: 1.8841065338982481
Energy: 1.765418220477513
Energy: 1.781370632565352
Energy: 1.6174209534642174
Energy: 1.781370632565352
Energy: 1.5534300894760755
Energy: 1.7687195189476832
Energy: 1.6533004972337695
Energy: 1.7687195189469265
Energy: 2.1674432859588193
Energy: 1.7228817308069502
Energy: 1.644385175611085
Energy: 1.722881730808463
Energy: 1.6170816301870692
Energy: 1.8420376665322467
Energy: 2.1000286597461137
Energy: 1.8420376665314901
Energy: 1.7950609848303263
Energy: 1.5536156297021222
Energy: 1.6363602035618148
Energy: 1.5536156297021222
Energy: 1.8528173890609365
Energy: 1.807726130681768
Energy: 1.87804972109083
Energy: 1.807726130681768
Energy: 1.570883093483019
Energy: 1.8877034421057552
Energy: 1.8795590302662524
Energy: 1.8877034421057552
Energy: 1.7308580402811193
Energy: 1.5533158269893554
Energy: 1.6338590571293639
Energy: 1.5533158269893554
Energy: 1.6161269574730306
Energy: 1.847446537551199
Energy: 2.1013237722422935
Energy: 1.8474465375466602
Energy: 2.0440626312995493
Energy: 1.7215720241303787
Energy: 1.6424267829791301
Energy: 1.7215720241311352
Energy: 1.5565954127264288
Energy: 1.6424565550008257
Energy: 1.6349922407643938
Energy: 1.6424565550008257
Energy: 1.6085328692101677
Energy: 1.7770829581192085
Energy: 1.6428530896848683
Energy: 1.777082958119965
Energy: 1.892769596393245
Energy: 1.8824450268453528
Energy: 1.8929440613926745
Energy: 1.88244502684384
Energy: 1.6558607021131955
Energy: 1.864308072753291
Energy: 2.177644187857601
Energy: 1.864308072753291

minimum gb energy = 1.5525625719963747 eV
minimum distance =  2.23476992136245 Angstroms
sigma value = 73


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

Energy: 1.553307898658244
Energy: 1.5529597589183788
Energy: 2.079676863714299
Energy: 1.5529597589183788
Energy: 1.653159335543612
Energy: 1.7034672571845948
Energy: 1.5533354930007743
Energy: 1.7034672571845948
Energy: 1.5540740052626596
Energy: 1.5995039881589104
Energy: 1.5735742655784175
Energy: 1.5995039881589104
Energy: 1.6426446521501625
Energy: 1.7033152240746243
Energy: 1.5529281069772072
Energy: 1.7033152240746243
Energy: 1.642424611093212
Energy: 1.6761099335406737
Energy: 1.598082330245642
Energy: 1.6761099335406737
Energy: 1.6758062337506598
Energy: 1.601477555688513
Energy: 2.1398598928746133
Energy: 1.601477555688513
Energy: 2.19454059991881
Energy: 1.9426380642404102
Energy: 1.6534455609451557
Energy: 1.9426380642404102
Energy: 1.6907369192457118
Energy: 1.5528580446844014
Energy: 2.0916131320973
Energy: 1.5528580446844014
Energy: 2.1049173323005466
Energy: 1.5540677294259952
Energy: 1.5531958656294689
Energy: 1.5540677294259952
Energy: 1.651718301670294
Energy: 1.731320719840061
Energy: 1.552738941161717
Energy: 1.731320719840061
Energy: 1.643823200211129
Energy: 1.5536842991243909
Energy: 2.0751200535289533
Energy: 1.5536842991219908
Energy: 1.785298881358033
Energy: 1.7015015722429923
Energy: 1.6424282340452077
Energy: 1.7015015722429923
Energy: 1.5535610101542452
Energy: 1.6759781436766883
Energy: 1.80426068423861
Energy: 1.6759781436766883
Energy: 2.1728876572225757
Energy: 1.6774249629788593
Energy: 1.6746149791286828
Energy: 1.6774249629800597
Energy: 1.6445589521155033
Energy: 1.6620311806757084
Energy: 1.8618080842633535
Energy: 1.6620311806757084
Energy: 2.0947038934385427
Energy: 1.5536659173817495
Energy: 1.6904796980635737
Energy: 1.5536659173805494
Energy: 1.5524023820190207
Energy: 1.5538557391284575
Energy: 1.6524600594090977
Energy: 1.5538557391284575
Energy: 1.5543515571597837
Energy: 1.5543628009751063
Energy: 1.6705727721596455
Energy: 1.5543628009763066
Energy: 1.7936654139395443
Energy: 1.5529124052780863
Energy: 1.685780840821425
Energy: 1.5529124052780863
Energy: 1.6523705394314945
Energy: 1.6905662612835497
Energy: 2.1857302220739814
Energy: 1.6905662612847498
Energy: 2.1712109738901533
Energy: 1.6155138997045246
Energy: 1.7048273756430468
Energy: 1.6155138997045246
Energy: 1.5532101103436031
Energy: 1.6729368004477574
Energy: 1.805023848050341
Energy: 1.6729368004465572

minimum gb energy = 1.5524023820190207 eV
minimum distance =  2.24697833038594 Angstroms
sigma value = 7


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

Energy: 1.5805069259931286
Energy: 1.5816046130607844
Energy: 2.203313566961955
Energy: 1.5816046130607844
Energy: 2.032485903598433
Energy: 1.7298443987069692
Energy: 1.61050471272485
Energy: 1.7298443987086662
Energy: 1.632718097523905
Energy: 1.8229950286425862
Energy: 1.5900261937400522
Energy: 1.8229950286408891
Energy: 1.5885128695257986
Energy: 1.6874612856615965
Energy: 1.6104953427608253
Energy: 1.6874612856649909
Energy: 1.629043038399202
Energy: 1.6852028037451756
Energy: 1.5758251093755502
Energy: 1.6852028037426294
Energy: 1.6284308459562118
Energy: 1.580532763895826
Energy: 2.048147696168819
Energy: 1.580532763894977
Energy: 1.7537164532774243
Energy: 1.8313502257185892
Energy: 1.5908780562033515
Energy: 1.8313502257194378
Energy: 1.628916299388408
Energy: 1.5810603908982388
Energy: 2.128665697370122
Energy: 1.58106039089739
Energy: 1.779061771469888
Energy: 1.6719752378383306
Energy: 1.6368464527312523
Energy: 1.6719752378391792
Energy: 1.6085207575063043
Energy: 1.6882342742715337
Energy: 1.7499694013440574
Energy: 1.6882342742706848
Energy: 1.5865131458826802
Energy: 1.8228882467219951
Energy: 1.5752278382774074
Energy: 1.8228882467211465
Energy: 1.5817821413000834
Energy: 1.6845990530998338
Energy: 1.5755514893279703
Energy: 1.6845990530998338
Energy: 1.5810539759228142
Energy: 1.5838252078640525
Energy: 1.5742673188865606
Energy: 1.5838252078657495
Energy: 1.5902610448260672
Energy: 1.5747520197266487
Energy: 1.638092635886825
Energy: 1.5747520197266487
Energy: 1.6093806725144646
Energy: 1.8831354509876397
Energy: 1.8062629393036345
Energy: 1.8831354509876397
Energy: 2.2053437318395663
Energy: 1.5726274366838804
Energy: 1.6532517467752101
Energy: 1.572627436682183
Energy: 1.6085697814937403
Energy: 1.6855045863459153
Energy: 1.7818090944057867
Energy: 1.6855045863459153
Energy: 1.5986883532958887
Energy: 1.863519727377392
Energy: 1.6379907616502698
Energy: 1.863519727379938
Energy: 1.6084401467389937
Energy: 1.8232493726661037
Energy: 1.6398725244381003
Energy: 1.8232493726661037
Energy: 1.609565607316215
Energy: 1.686785053120578
Energy: 1.5738567423742662
Energy: 1.6867850531197293
Energy: 1.5866682724737615
Energy: 1.8205891649956134
Energy: 1.6379675383198113
Energy: 1.8205891649922186
Energy: 1.6281008796937797
Energy: 1.8192205294208224
Energy: 1.7407442830144035
Energy: 1.8192205294208224
Energy: 2.044712401681888
Energy: 1.6745792450902233
Energy: 1.5928332287764577
Energy: 1.6745792450893746
Energy: 1.586848617027748
Energy: 1.5811193040522586
Energy: 2.070491856199213
Energy: 1.5811193040497127
Energy: 1.6099894361219225
Energy: 1.6875710015807568
Energy: 1.5947988352100453
Energy: 1.6875710015790597
Energy: 1.5862998247951126
Energy: 1.8195531384085246
Energy: 1.5750058616428866
Energy: 1.8195531384076762
Energy: 1.6297634093003728
Energy: 1.6891586229322295
Energy: 1.5960537723685793
Energy: 1.6891586229322295
Energy: 1.6644663668232287
Energy: 1.6846014757400447
Energy: 1.6106737751092748
Energy: 1.6846014757408936
Energy: 1.6419469952560672
Energy: 1.5818701414666345
Energy: 1.7840536362848145
Energy: 1.581870141464937
Energy: 1.5851177412674795
Energy: 1.6336543342601229
Energy: 1.6087558214794284
Energy: 1.63365433426182
Energy: 1.6419504802119598
Energy: 1.58140197478273
Energy: 2.0166301729607645
Energy: 1.58140197478273

minimum gb energy = 1.572627436682183 eV
minimum distance =  2.23170672435012 Angstroms
sigma value = 29


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

Energy: 1.4820434383778194
Energy: 1.4745940657123318
Energy: 1.9009513067787236
Energy: 1.4745940657126273
Energy: 1.4244547519896056
Energy: 1.4831886505911243
Energy: 1.4798540702749854
Energy: 1.48318865059142
Energy: 1.4247637382486529
Energy: 1.5505804354947619
Energy: 1.732881653744962
Energy: 1.5505804354941706
Energy: 1.4800334023486006
Energy: 1.4248184061789508
Energy: 1.4801169749699943
Energy: 1.4248184061783598
Energy: 1.4824341310898033
Energy: 1.5228933327605467
Energy: 1.5741242855333957
Energy: 1.5228933327605467
Energy: 1.4752408617221904
Energy: 1.5515231591935035
Energy: 1.4752697184537158
Energy: 1.5515231591935035
Energy: 1.5996569714357276
Energy: 1.5230334916466421
Energy: 1.4824240078570567
Energy: 1.5230334916466421
Energy: 1.4801721101098626
Energy: 1.4246843064637609
Energy: 1.4797260370228942
Energy: 1.4246843064625787
Energy: 1.7328508969094827
Energy: 1.550570851040343
Energy: 1.655094647122506
Energy: 1.5505708510406386

minimum gb energy = 1.4244547519896056 eV
minimum distance =  2.29297321366503 Angstroms
sigma value = 5


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

Energy: 1.4894779374263996
Energy: 1.494515200100546
Energy: 1.8695147667145688
Energy: 1.4945152001013478
Energy: 1.7290999356076713
Energy: 1.5812884135356353
Energy: 1.5070683938479903
Energy: 1.5812884135348337
Energy: 1.4617441422491595
Energy: 1.488199704381374
Energy: 1.7640198025004679
Energy: 1.488199704381374
Energy: 1.5098519689680046
Energy: 1.5704058422837015
Energy: 1.4670770300757474
Energy: 1.5704058422837015
Energy: 1.4869101535266003
Energy: 1.576563515978319
Energy: 1.7237505939486963
Energy: 1.5765635159767155
Energy: 1.5861290680323277
Energy: 1.4963718439960845
Energy: 1.4608171253723288
Energy: 1.4963718439960845
Energy: 1.4632212571261347
Energy: 1.5739868597180082
Energy: 1.4511622329937317
Energy: 1.57398685971881
Energy: 1.4572175348909462
Energy: 1.4970198621212742
Energy: 1.4696253471934415
Energy: 1.4970198621196709
Energy: 1.4625064831676748
Energy: 1.5748724829641156
Energy: 1.4765347790451595
Energy: 1.5748724829641156
Energy: 1.4623540607174037
Energy: 1.574755835695953
Energy: 1.5099287407704354
Energy: 1.5747558356951514
Energy: 1.5621230349221265
Energy: 1.5714289744518386
Energy: 1.4643652084264829
Energy: 1.5714289744526402
Energy: 1.5118233104799437
Energy: 1.47999579302556
Energy: 1.494406521814
Energy: 1.479995793027965
Energy: 1.6594279231853573
Energy: 1.496101693547071
Energy: 1.5019777942613284
Energy: 1.496101693547071
Energy: 1.484695265467351
Energy: 1.4956343457771941
Energy: 1.4794453287537652
Energy: 1.4956343457795993
Energy: 1.8304138670772598
Energy: 1.568975964349796
Energy: 1.4644508658745643
Energy: 1.5689759643505974
Energy: 1.4649762037997973
Energy: 1.4882108188350567
Energy: 1.842576483253944
Energy: 1.4882108188350567
Energy: 1.7109482815297552
Energy: 1.4812315460719552
Energy: 1.4880377857940525
Energy: 1.4812315460719552
Energy: 1.4699399798694013
Energy: 1.4953167326816796
Energy: 1.990484341003251
Energy: 1.4953167326840846
Energy: 1.5467298964369722
Energy: 1.5768625147587467
Energy: 1.4575943008329737
Energy: 1.5768625147595483
Energy: 1.4822900639323666
Energy: 1.5908815790221429
Energy: 1.473544472188893
Energy: 1.5908815790293578
Energy: 1.4785569292439311
Energy: 1.568325558875051
Energy: 1.4625846021221909
Energy: 1.568325558875051
Energy: 1.5157302076367858
Energy: 1.5747586176503539
Energy: 1.4633974784887396
Energy: 1.574758617649552
Energy: 1.5011695003084937
Energy: 1.4962760479472703
Energy: 1.5147442497589139
Energy: 1.4962760479464687
Energy: 1.49387157523247
Energy: 1.5057854314034007
Energy: 1.508333840002009
Energy: 1.5057854314034007
Energy: 1.493595614523226
Energy: 1.4885254186698826
Energy: 1.4689448239237421
Energy: 1.4885254186698826
Energy: 1.5222447553679654
Energy: 1.494775265617603
Energy: 1.4894297847586926
Energy: 1.494775265617603
Energy: 1.4670321563465152
Energy: 1.453721666347921
Energy: 1.5567899913210455
Energy: 1.4537216663471195
Energy: 1.867467201835227
Energy: 1.5815954404520516
Energy: 1.4646927990151017
Energy: 1.581595440455258
Energy: 1.4765613055457483
Energy: 1.4692900364485502
Energy: 1.769511939236248
Energy: 1.4692900364485502
Energy: 1.9988935352826538
Energy: 1.63963285032375
Energy: 1.4698133115938794
Energy: 1.63963285032375
Energy: 1.4590003570964403
Energy: 1.4735496455923063
Energy: 1.7413321025813948
Energy: 1.4735496455923063
Energy: 1.7126963418525278
Energy: 1.5743843759991099
Energy: 1.477223061428619
Energy: 1.5743843760007132
Energy: 1.4679197698480395
Energy: 1.8054105540854586
Energy: 1.5103856002380422
Energy: 1.8054105540838554

minimum gb energy = 1.4511622329937317 eV
minimum distance =  2.2178660615459 Angstroms
sigma value = 1


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

Energy: 1.44167349988875
Energy: 1.4416326423538586
Energy: 2.024594506794934
Energy: 1.4416326423538586
Energy: 1.897307024529807
Energy: 1.4720891000762961
Energy: 1.4290138755436617
Energy: 1.4720891000762961
Energy: 1.403071963925807
Energy: 1.4414381987749696
Energy: 1.711974869701451
Energy: 1.4414381987749696
Energy: 1.5194425820437023
Energy: 1.5443881311479482
Energy: 1.408535026683734
Energy: 1.5443881311490566
Energy: 1.4288412589020745
Energy: 1.4413515695589054
Energy: 1.7561205935541035
Energy: 1.4413515695577972
Energy: 1.4038111851320332
Energy: 1.4446087899275506
Energy: 1.4090100469280384
Energy: 1.4446087899275506
Energy: 1.404178596445589
Energy: 1.5787129271148694
Energy: 1.4163734574346019
Energy: 1.5787129271159777
Energy: 1.4044002533373012
Energy: 1.444911158190125
Energy: 1.4714036456229966
Energy: 1.4449111581868
Energy: 1.4412922254103147
Energy: 1.4438926417075564
Energy: 1.4718642021662223
Energy: 1.4438926417075564
Energy: 1.4412549038652296
Energy: 1.4436716149090334
Energy: 1.4564206638063206
Energy: 1.443671614907925
Energy: 1.3973361859585613
Energy: 1.4447950237724576
Energy: 1.4723352894855812
Energy: 1.4447950237713492
Energy: 1.404200950950867
Energy: 1.5786730383824275
Energy: 1.4146050688603171
Energy: 1.5786730383824275
Energy: 1.4041461414380991
Energy: 1.4446853634576653
Energy: 1.4083590131372652
Energy: 1.4446853634565566
Energy: 1.4288686004647735
Energy: 1.4413535682861978
Energy: 1.6232268593557104
Energy: 1.4413535682850893
Energy: 1.519635919852005
Energy: 1.5443401469858111
Energy: 1.4081492293570639
Energy: 1.5443401469858111
Energy: 1.4032787105271183
Energy: 1.4414943679741867
Energy: 1.5897665352383394
Energy: 1.4414943679741867
Energy: 1.897177621102463
Energy: 1.4722462910599832
Energy: 1.4291895309366398
Energy: 1.4722462910588745
Energy: 1.44167349988875
Energy: 1.4416326423538586
Energy: 1.8430912384173448
Energy: 1.4416326423538586
Energy: 1.897307024529807
Energy: 1.472089100075188
Energy: 1.4290138755436617
Energy: 1.472089100075188
Energy: 1.403071963925807
Energy: 1.4414381987749696
Energy: 2.011041616131862
Energy: 1.4414381987760783
Energy: 1.5194425820425939
Energy: 1.5443881311446233
Energy: 1.408535026683734
Energy: 1.5443881311435146
Energy: 1.4288412589020745
Energy: 1.4413515695589054
Energy: 1.733161942012435
Energy: 1.441351569556689
Energy: 1.4038111851320332
Energy: 1.4446087899286586
Energy: 1.4090100469280384
Energy: 1.4446087899286586
Energy: 1.404178596445589
Energy: 1.5787129271148694
Energy: 1.4163734574346019
Energy: 1.5787129271170863

minimum gb energy = 1.3973361859585613 eV
minimum distance =  2.24020445949777 Angstroms
sigma value = 17


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

Energy: 1.434008236948285
Energy: 1.4348500071304335
Energy: 1.832752873137083
Energy: 1.4348500071311183
Energy: 1.6315667800310045
Energy: 1.423112805586032
Energy: 1.407371253351845
Energy: 1.4231128055867173
Energy: 1.4040551640154184
Energy: 1.4195378255625843
Energy: 1.7569385877701647
Energy: 1.4195378255632694
Energy: 1.5693920000086405
Energy: 1.696447862095645
Energy: 1.4016952356222494
Energy: 1.6964478620949601
Energy: 1.4052114929966983
Energy: 1.4348421899278747
Energy: 1.8096449006051838
Energy: 1.4348421899265045
Energy: 1.4440289134816242
Energy: 1.9106494632664541
Energy: 1.4169853301389321
Energy: 1.9106494632671394
Energy: 1.434383488836044
Energy: 1.5046910246443437
Energy: 1.4192571772800469
Energy: 1.5046910246450287
Energy: 1.4300710116712174
Energy: 1.7154415312405005
Energy: 1.4014316844412495
Energy: 1.715441531239815
Energy: 1.4349503162011477
Energy: 1.7155765410778276
Energy: 1.4753318709590606
Energy: 1.7155765410764576
Energy: 1.4200408247567329
Energy: 1.7146438910395407
Energy: 1.4165141459530166
Energy: 1.7146438910409108
Energy: 1.3959870925802131
Energy: 1.6919077337329216
Energy: 1.4112899043864848
Energy: 1.6919077337329216
Energy: 1.394725149977843
Energy: 1.4997764205357909
Energy: 1.3939390022463816
Energy: 1.4997764205351058
Energy: 1.438148215947876
Energy: 1.7072969643940183
Energy: 1.4057080904104484
Energy: 1.7072969643981288
Energy: 1.4351208947066436
Energy: 1.5237926243913886
Energy: 1.433258285532878
Energy: 1.5237926243907034
Energy: 1.4270017233885792
Energy: 1.6995547330199114
Energy: 1.4466072054371255
Energy: 1.6995547330219667
Energy: 1.4108791573927022
Energy: 1.42063176157873
Energy: 1.777333698693532
Energy: 1.4206317615780448
Energy: 1.4698911406891157
Energy: 1.7003722647642947
Energy: 1.4056795528877226
Energy: 1.7003722647629245
Energy: 1.3955811187327385
Energy: 1.5657052910260076
Energy: 1.7039145121774006
Energy: 1.565705291026693
Energy: 1.6304452534573917
Energy: 1.6959884111798518
Energy: 1.4068921152712004
Energy: 1.695988411180537
Energy: 1.4108348614966375
Energy: 1.4197364757372015
Energy: 1.5739160692277163
Energy: 1.4197364757365165
Energy: 1.5066275131572695
Energy: 1.4130801610316426
Energy: 1.4316185893756195
Energy: 1.4130801610309573
Energy: 1.4321458554120492
Energy: 1.5668590187761242
Energy: 1.5093254821211468
Energy: 1.5668590187761242
Energy: 1.634442980643483
Energy: 1.7078265755646962
Energy: 1.4132017833438415
Energy: 1.7078265755653814
Energy: 1.4074115339843938
Energy: 1.4133051669884031
Energy: 1.631790799797234
Energy: 1.4133051669911436
Energy: 1.4994950587190574
Energy: 1.5652287808494976
Energy: 1.3980538161343885
Energy: 1.5652287808488128
Energy: 1.4088250939448979
Energy: 1.5256896042202945
Energy: 1.4722936829125557
Energy: 1.5256896042202945
Energy: 1.620257345655216
Energy: 1.4892295054406586
Energy: 1.4136420274413746
Energy: 1.4892295054399733
Energy: 1.4448595644011801
Energy: 1.6991895769880747
Energy: 1.4269103498464997
Energy: 1.6991895769873897
Energy: 1.433057066449481
Energy: 1.5230347954103078
Energy: 1.4291202591238994
Energy: 1.5230347954109928
Energy: 1.4056205785119633
Energy: 1.7053412780477843
Energy: 1.4935951075229033
Energy: 1.7053412780484691
Energy: 1.3936475669254316
Energy: 1.5228211926567279
Energy: 1.3949531792551622
Energy: 1.5228211926567279
Energy: 1.409164515269556
Energy: 1.6951209681121435
Energy: 1.4050711843424268
Energy: 1.695120968114199
Energy: 1.4137708345501407
Energy: 1.4959410970305722
Energy: 1.6322152927438185
Energy: 1.4959410970285167
Energy: 1.484872714013629
Energy: 1.7202875181250175
Energy: 1.4200444609807599
Energy: 1.7202875181250175
Energy: 1.3990895861987933
Energy: 1.4357716262134999
Energy: 1.4706997183712525
Energy: 1.4357716262121296
Energy: 1.4190675417852725
Energy: 1.507485003844408
Energy: 1.4324423922353187
Energy: 1.507485003843723
Energy: 1.413151573107126
Energy: 1.9083916793180589
Energy: 1.4295703317909778
Energy: 1.9083916793173739
Energy: 1.8057820291949869
Energy: 1.5262882196592655
Energy: 1.4109330294135736
Energy: 1.5262882196585803

minimum gb energy = 1.3936475669254316 eV
minimum distance =  2.23561621586964 Angstroms
sigma value = 89


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

Energy: 1.2778413228651122
Energy: 1.2779924661169983
Energy: 1.8045627700336806
Energy: 1.2779924661169983
Energy: 1.2783234138714317
Energy: 1.3159054573840747
Energy: 1.300893359448185
Energy: 1.3159054573840747
Energy: 1.2971821860837507
Energy: 1.3763752900931898
Energy: 2.2069576985670225
Energy: 1.3763752900931898
Energy: 1.3217336529036785
Energy: 1.3162968500008487
Energy: 1.3004981818631853
Energy: 1.316296850002641
Energy: 1.2967090907192338
Energy: 1.4101476829026125
Energy: 1.7775794044588775
Energy: 1.4101476829026125
Energy: 1.2968111929538593
Energy: 1.27877193466889
Energy: 1.2774760222214174
Energy: 1.27877193466889
Energy: 1.2974143185938556
Energy: 1.5096296695920155
Energy: 1.2779413921045335
Energy: 1.5096296695920155
Energy: 1.3187055124637155
Energy: 1.5090207094936121
Energy: 1.3010853712660024
Energy: 1.5090207094936121
Energy: 1.2968052394111411
Energy: 1.4098433179321639
Energy: 1.3302940232938867
Energy: 1.4098433179321639
Energy: 1.3153850431782796
Energy: 1.2789527643079783
Energy: 1.2966685938208653
Energy: 1.2789527643079783
Energy: 1.2776308047818987
Energy: 1.3167800805748184
Energy: 1.2966596838074738
Energy: 1.3167800805748184
Energy: 1.2777503153352006
Energy: 1.5105576132648595
Energy: 1.3006842056109638
Energy: 1.5105576132648595
Energy: 1.2966766172243405
Energy: 1.2800926741896739
Energy: 1.3225483034122145
Energy: 1.280092674187881
Energy: 1.296869106527699
Energy: 1.4089753706913646
Energy: 1.2968507411881474
Energy: 1.4089753706913646
Energy: 1.3342685330428852
Energy: 1.2800617257301419
Energy: 1.2966764410060774
Energy: 1.2800617257301419

minimum gb energy = 1.2774760222214174 eV
minimum distance =  2.255697352706 Angstroms
sigma value = 13


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

Energy: 1.284750578672932
Energy: 1.2515342835733305
Energy: 1.7208636995931124
Energy: 1.2515342835710763
Energy: 1.4916312776881693
Energy: 1.6457247716516183
Energy: 1.2444472246694493
Energy: 1.645724771648613
Energy: 1.2528959456835242
Energy: 1.4368341975564318
Energy: 1.4999356756430007
Energy: 1.4368341975226218
Energy: 1.2456487225222952
Energy: 1.4667309337812287
Energy: 1.242365226778239
Energy: 1.4667309337804777
Energy: 1.2595381129718242
Energy: 1.5286488566018739
Energy: 1.3288477295261008
Energy: 1.528648856600371
Energy: 1.2435972956164238
Energy: 1.2845551682966099
Energy: 1.2586872009911774
Energy: 1.2845551683003666
Energy: 1.2596280096533445
Energy: 1.4508832516866739
Energy: 1.6174920667439139
Energy: 1.4508832516874248
Energy: 1.248299458069559
Energy: 1.4680746650362153
Energy: 1.2588252256737713
Energy: 1.4680746650339613
Energy: 1.2609149046692274
Energy: 1.3489886908911808
Energy: 1.5708188216348045
Energy: 1.3489886908949373
Energy: 1.4801572571406616
Energy: 1.549091881669513
Energy: 1.2424265448601501
Energy: 1.549091881668762
Energy: 1.2604103286615558
Energy: 1.3708653442802803
Energy: 1.2401244866485939
Energy: 1.3708653442765237
Energy: 1.6122135879119763
Energy: 1.548786362661718
Energy: 1.2504726523633654
Energy: 1.5487863626609666
Energy: 1.293875250622092
Energy: 1.2663841835397516
Energy: 1.2583921146402461
Energy: 1.2663841835442595
Energy: 1.6246772797358018
Energy: 1.3707856118108146
Energy: 1.2504734963467241
Energy: 1.3707856118115656
Energy: 1.2604128087773716
Energy: 1.2495405158219313
Energy: 1.2879444035265621
Energy: 1.2495405158234338
Energy: 1.2412293961195378
Energy: 1.370789008620515
Energy: 1.239460023123592
Energy: 1.3707890086167582
Energy: 1.2568450051959847
Energy: 1.3364863215372902
Energy: 1.2389023943984936
Energy: 1.336486321538793
Energy: 1.2800741800578987
Energy: 1.34558207456869
Energy: 1.2542134827329927
Energy: 1.345582074566436
Energy: 1.257186833211081
Energy: 1.2678836826320021
Energy: 1.2543742107928726
Energy: 1.2678836826335047
Energy: 1.2567939531459043
Energy: 1.268006469174276
Energy: 1.2543525853841613
Energy: 1.2680064691727735
Energy: 1.2804988201441108
Energy: 1.3454748204118099
Energy: 1.2544242606062685
Energy: 1.3454748204088045
Energy: 1.2567051031194474
Energy: 1.3364899276281288
Energy: 1.2389446891751852
Energy: 1.3364899276318856
Energy: 1.2410761084122963
Energy: 1.3705930604990848
Energy: 1.2393026476068016
Energy: 1.3705930604968308
Energy: 1.2603754366787485
Energy: 1.2492154079342745
Energy: 1.2448081856662478
Energy: 1.249215407937963
Energy: 1.624887267866961
Energy: 1.5994701243364413
Energy: 1.2513562661032243
Energy: 1.5994701243364413
Energy: 1.294470111552897
Energy: 1.2664887203258892
Energy: 1.2453072861496635
Energy: 1.2664887203266404
Energy: 1.6119077408270086
Energy: 1.5489267373893914
Energy: 1.2509661268232464
Energy: 1.5489267373901427
Energy: 1.2597599010366551
Energy: 1.3710048187990949
Energy: 1.2405363172596282
Energy: 1.3710048187968407
Energy: 1.4800905810290914
Energy: 1.5485756893674367
Energy: 1.242100790577218
Energy: 1.5485756893659344
Energy: 1.2599261102900392
Energy: 1.3490377587604436
Energy: 1.43451919364374
Energy: 1.3490377595377268
Energy: 1.2477998171043567
Energy: 1.4669633923860292
Energy: 1.258791306479686
Energy: 1.4669633923815213
Energy: 1.2598467281662902
Energy: 1.4508010312091688
Energy: 1.6675238410727795
Energy: 1.4508010312099202
Energy: 1.2439930723996147
Energy: 1.282299764448994
Energy: 1.2587749602348863
Energy: 1.2822997644483112
Energy: 1.259882330318057
Energy: 1.5285910117403432
Energy: 1.6375032026300267
Energy: 1.5285910117358352
Energy: 1.2459760067830188
Energy: 1.4675015871261552
Energy: 1.2423674689609516
Energy: 1.4675015871261552

minimum gb energy = 1.2389023943984936 eV
minimum distance =  2.23421033318272 Angstroms
sigma value = 37


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

Energy: 1.1859874599154525
Energy: 1.185367765840815
Energy: 1.4123076564305803
Energy: 1.185367765840815
Energy: 1.2801558051541888
Energy: 1.5930752258564862
Energy: 1.1451454912014154
Energy: 1.5930752258564862
Energy: 1.1541489080132212
Energy: 1.6297131090263741
Energy: 2.027763849784369
Energy: 1.6297131090263741
Energy: 1.1334387534127097
Energy: 1.4915616821158861
Energy: 1.1451315627411667
Energy: 1.4915616821171787
Energy: 1.1428024964896748
Energy: 1.184787924142781
Energy: 1.134018543291409
Energy: 1.184787924142781
Energy: 1.159171507003176
Energy: 1.5928395276441196
Energy: 1.1364477899373568
Energy: 1.5928395276441196
Energy: 1.1751496215897526
Energy: 1.9931394457149327
Energy: 1.4676863021855313
Energy: 1.9931394457149327
Energy: 1.142794355546434
Energy: 1.185930943837104
Energy: 1.1859519993741612
Energy: 1.185930943837104
Energy: 1.1430139935148436
Energy: 1.5925811342992193
Energy: 1.4664309201202133
Energy: 1.5925811342992193
Energy: 1.567708948489692
Energy: 1.6307940550602866
Energy: 1.1353676672750064
Energy: 1.6307940550602866
Energy: 1.1750799017054563
Energy: 1.9850583227852696
Energy: 1.133102042722003
Energy: 1.9850583227852696
Energy: 1.5295425287627626
Energy: 1.1852927288526525
Energy: 1.1450459398385653
Energy: 1.1852927288526525
Energy: 1.1324680070070663
Energy: 1.5926541687717148
Energy: 1.160917246692235
Energy: 1.5926541687717148
Energy: 1.4674406387539018
Energy: 1.9337289751553013
Energy: 1.1426704211002323
Energy: 1.9337289751540085
Energy: 1.1852179548374198
Energy: 1.2422114695142845
Energy: 1.142743281897901
Energy: 1.2422114695142845
Energy: 1.1854186782583827
Energy: 1.5930660695648378
Energy: 1.145188598042799
Energy: 1.5930660695648378
Energy: 1.1324906777170782
Energy: 1.33037214684487
Energy: 1.1593611093242997
Energy: 1.33037214684487
Energy: 1.1326614300640074
Energy: 1.9867135975267276
Energy: 1.1427090017682595
Energy: 1.9867135975267276
Energy: 1.1426276239462096
Energy: 1.1866215095058137
Energy: 1.1428618853919281
Energy: 1.1866215095058137
Energy: 1.1428861851968537
Energy: 1.593348924835872
Energy: 1.1325419166252457
Energy: 1.593348924835872

minimum gb energy = 1.1324680070070663 eV
minimum distance =  2.23093575743897 Angstroms
sigma value = 25


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

Energy: 1.1031704674341036
Energy: 1.0477916724622298
Energy: 1.2029307796148712
Energy: 1.0477916724622298
Energy: 1.3779726975605453
Energy: 1.2987591635761273
Energy: 1.0475496321497912
Energy: 1.2987591635781461
Energy: 1.041594335628145
Energy: 1.0416047153131747
Energy: 1.849866589094463
Energy: 1.041604715314184
Energy: 1.1244549107261057
Energy: 1.5368926812945807
Energy: 1.051963196258911
Energy: 1.5368926812945807
Energy: 1.050002778246057
Energy: 1.29890226369739
Energy: 1.0214457021456431
Energy: 1.29890226369739
Energy: 1.0182292199817027
Energy: 1.2987271872197321
Energy: 1.0475249622982643
Energy: 1.2987271872197321
Energy: 1.0506189605913885
Energy: 1.0440369135774372
Energy: 1.126287640644846
Energy: 1.0440369135774372
Energy: 1.0218142336410803
Energy: 1.3308680261090233
Energy: 1.0438796684836527
Energy: 1.3308680261100325
Energy: 1.0470962637546093
Energy: 1.301793150111581
Energy: 1.5010813493863
Energy: 1.3017931558302078
Energy: 1.0241115337027225
Energy: 1.2804841814596841
Energy: 1.1055021061385326
Energy: 1.2804841814596841
Energy: 1.050528330149994
Energy: 1.0440967373856518
Energy: 1.5347965226166251
Energy: 1.0440967373856518
Energy: 1.3596878056632224
Energy: 1.599686697143685
Energy: 1.0438865855962989
Energy: 1.599686697143685
Energy: 1.0503780531197922
Energy: 1.068491182566549
Energy: 1.2801143968424218
Energy: 1.068491182574624
Energy: 1.3399748459899117
Energy: 1.3913500393073546
Energy: 1.047802351659981
Energy: 1.3913500393073546
Energy: 1.0506433137450857
Energy: 1.0439172985099858
Energy: 1.0176196846586825
Energy: 1.0439172985099858
Energy: 1.316646507290507
Energy: 1.7076492977067173
Energy: 1.0486489289330454
Energy: 1.7076492977067173
Energy: 1.0468323484678086
Energy: 1.3314444253297153
Energy: 1.0221449207774862
Energy: 1.3314444253297153
Energy: 1.298857241162009
Energy: 1.3011042243582702
Energy: 1.0479242976959195
Energy: 1.3011042243592796
Energy: 1.1026845658201978
Energy: 1.042079739452521
Energy: 1.0240234088401654
Energy: 1.04207973945454
Energy: 1.5224857744762152
Energy: 1.7070765208707828
Energy: 1.0489402590539605
Energy: 1.7070765208707828
Energy: 1.0467781554631894
Energy: 1.7059454101717886
Energy: 1.0394180896637235
Energy: 1.7059454101717886
Energy: 1.0416130456652655
Energy: 1.0689017670334606
Energy: 1.047914302712535
Energy: 1.0689017670324512
Energy: 1.0502417725799986
Energy: 1.4256854791555353
Energy: 1.3404058398606187
Energy: 1.4256854791565448
Energy: 1.0178217578369013
Energy: 1.7095038580576494
Energy: 1.048776554303075
Energy: 1.7095038580576494
Energy: 1.0480912767197081
Energy: 1.706165751869651
Energy: 1.3161467779739962
Energy: 1.706165751869651
Energy: 1.0229125629230331
Energy: 1.3311161156390805
Energy: 1.0413125462827866
Energy: 1.3311161156400897

minimum gb energy = 1.0176196846586825 eV
minimum distance =  2.23807037566077 Angstroms
sigma value = 41


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

Energy: 1.472619441654246
Energy: 1.2789154164018717
Energy: 0.9519770681670513
Energy: 1.2789154163985617
Energy: 1.5167174298241566
Energy: 1.1451173279584963
Energy: 0.9445987376378084
Energy: 1.145117327957669
Energy: 1.0766756234687216
Energy: 0.9534783495846578
Energy: 1.2011070347692312
Energy: 0.9534783495813478
Energy: 1.3125617812631365
Energy: 1.2554746876239218
Energy: 0.9467001183575938
Energy: 1.2554746876239218
Energy: 1.0411342160246961
Energy: 1.3698474698364256
Energy: 1.117080042119982
Energy: 1.3698474698372531
Energy: 1.1123108023627528
Energy: 1.1421917440199416
Energy: 0.9547612101535071
Energy: 1.1421917440166316
Energy: 0.9524835452103542
Energy: 1.1456992860060438
Energy: 1.1129410817806524
Energy: 1.1456992860308692
Energy: 1.0279248120255733
Energy: 1.259783358695514
Energy: 1.0423479889101654
Energy: 1.2597833586938592
Energy: 0.9478757876389003
Energy: 1.5299191712917253
Energy: 1.4186960346664754
Energy: 1.5299191712933802
Energy: 0.9381376646824918
Energy: 1.060402468599236
Energy: 1.078022076443725
Energy: 1.0604024686008908
Energy: 0.9432593790884237
Energy: 1.24745470312527
Energy: 1.6623656266339253
Energy: 1.247454703126925
Energy: 0.9307752150264162
Energy: 1.3514776981214922
Energy: 1.3511782736049622
Energy: 1.3514776981214922
Energy: 0.9480437892768125
Energy: 1.5236763921855194
Energy: 1.5376031721521466
Energy: 1.5236763921863472
Energy: 1.2012549040292793
Energy: 1.3559555684364923
Energy: 1.078222009376717
Energy: 1.3559555684364923
Energy: 0.9477239913151434
Energy: 1.255325101482222
Energy: 1.460748231539204
Energy: 1.255325101482222
Energy: 1.1984490672770602
Energy: 1.3872932730008254
Energy: 1.0425366259926343
Energy: 1.3872932729991703
Energy: 0.9589658261498859
Energy: 1.5255508749456441
Energy: 1.351086795042539
Energy: 1.5255508749448918
Energy: 1.2903543367540256
Energy: 1.3566988559233413
Energy: 0.9549150300967595
Energy: 1.3566988559208588
Energy: 1.0463636353576853
Energy: 1.2601133317098976
Energy: 1.0278086344053114
Energy: 1.2601133317115527
Energy: 1.2821022934637878
Energy: 1.356772662356104
Energy: 0.9477457191670435
Energy: 1.356772662356104
Energy: 1.0818738279531526
Energy: 1.4334171448326136
Energy: 0.9386058707495756
Energy: 1.4334171448326136
Energy: 1.6581123936042537
Energy: 1.7147863529143106
Energy: 0.9445737723762793
Energy: 1.7147863529159657
Energy: 1.4779851775628976
Energy: 1.384349203195078
Energy: 0.9308662947456264
Energy: 1.384349203195078
Energy: 1.4833179619699117
Energy: 1.5249054404849942
Energy: 0.9478599852973025
Energy: 1.5249054404841664
Energy: 1.0818405694887354
Energy: 1.3363442346574248
Energy: 0.9401830662374937
Energy: 1.3363442346557697
Energy: 1.4615595373168084
Energy: 1.47119169137333
Energy: 0.9518152731765535
Energy: 1.4711916913749852
Energy: 1.046447317290784
Energy: 1.5274278619337844
Energy: 1.1981361444518324
Energy: 1.5274278619321293
Energy: 1.0418096978066467
Energy: 1.5243079108873832
Energy: 0.9591568439318865
Energy: 1.5243079108865558
Energy: 0.9553787663389247
Energy: 1.3363951449118674
Energy: 1.2900742986119405
Energy: 1.3363951449102123
Energy: 1.0276865734777902
Energy: 1.567349040322141
Energy: 1.051283996210891
Energy: 1.5673490403229684
Energy: 0.943471521051968
Energy: 1.3555579900768533
Energy: 1.2822148218323866
Energy: 1.3555579900785082
Energy: 0.9346766939495478
Energy: 1.4316821190364677
Energy: 1.0849096584154287
Energy: 1.4316821190323297

minimum gb energy = 0.9307752150264162 eV
minimum distance =  2.23265266193813 Angstroms
sigma value = 15


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

Energy: 1.2271344621111624
Energy: 1.5083396271554066
Energy: 1.406021665909238
Energy: 1.5083396271547056
Energy: 1.5610414023133459
Energy: 1.3635952567644058
Energy: 0.8840403071209125
Energy: 1.363595256765107
Energy: 0.9136841183668908
Energy: 1.2060925291907039
Energy: 1.616688798170071
Energy: 1.2060925291928069
Energy: 1.3748866217026423
Energy: 1.3689050729499253
Energy: 0.8838757972716605
Energy: 1.368905072950626
Energy: 0.8798054003447396
Energy: 1.5154079055519127
Energy: 0.8616505350220578
Energy: 1.5154079055519127
Energy: 1.0936389734612333
Energy: 1.364901621778048
Energy: 0.8840175139182881
Energy: 1.364901621778749
Energy: 0.8830481969990482
Energy: 1.2163255046700687
Energy: 0.9226176454004511
Energy: 1.2163255046686665
Energy: 0.9227452451295536
Energy: 1.2186561154370414
Energy: 0.8839720602107008
Energy: 1.2186561154370414
Energy: 0.8864101708055092
Energy: 1.5253572681335508
Energy: 1.0932374829976832
Energy: 1.5253572681335508
Energy: 0.8534950669494833
Energy: 1.3661755898687875
Energy: 0.8808249391348004
Energy: 1.3661755898687875
Energy: 0.8832141745438169
Energy: 1.36314797279907
Energy: 1.527707093805318
Energy: 1.3631479727983693
Energy: 0.856542487511683
Energy: 1.2061660766212772
Energy: 0.9146221169858372
Energy: 1.2061660765147846
Energy: 0.8862786709147258
Energy: 1.5195617845577776
Energy: 1.637737107716041
Energy: 1.5195617845584788
Energy: 0.8569255511998647
Energy: 1.508920299029085
Energy: 1.2275605808914845
Energy: 1.508920299029085
Energy: 0.8831521079765906
Energy: 1.3633499976372405
Energy: 1.5559473142876619
Energy: 1.3633499976372405
Energy: 1.0858841873991867
Energy: 1.2056367623432225
Energy: 0.9145385636132582
Energy: 1.2056367623432225
Energy: 0.8863329515855771
Energy: 1.5193954467529687
Energy: 1.3792542674349422
Energy: 1.5193954467536697
Energy: 1.0817392538821804
Energy: 1.5142894556945554
Energy: 0.880764503635426
Energy: 1.5142894556952566
Energy: 0.8832959663840421
Energy: 1.3651376402822955
Energy: 1.2037769848968323
Energy: 1.3651376402815947
Energy: 1.077468941986126
Energy: 1.0500487778737828
Energy: 0.8839230773602936
Energy: 1.0500487778730818
Energy: 0.8865393770640887
Energy: 1.392432361349102
Energy: 1.0335385347171309
Energy: 1.392432361348401
Energy: 1.079926389275506
Energy: 1.378466576289286
Energy: 0.8902760012429486
Energy: 1.378466576289987
Energy: 0.8832880500175572
Energy: 1.0461701462300896
Energy: 0.8537902795200683
Energy: 1.0461701462244817
Energy: 1.4106552318210381
Energy: 1.0475699773376397
Energy: 0.8840758092089168
Energy: 1.0475699773411447
Energy: 0.9169207633627932
Energy: 1.3923794341146996
Energy: 0.8577459347886218
Energy: 1.3923794341146996
Energy: 1.3946765346686176
Energy: 1.5226434341146247
Energy: 0.8902692594294812
Energy: 1.5226434341139237
Energy: 1.2301143162381578
Energy: 1.506126950537244
Energy: 0.8572460357237893
Energy: 1.506126950537244
Energy: 1.5510126072036718
Energy: 1.3635678954947994
Energy: 0.8840688648858732
Energy: 1.3635678954947994
Energy: 0.9168749768667734
Energy: 1.5472500111443748
Energy: 0.8614601440662628
Energy: 1.547250011145076
Energy: 1.203592921392675
Energy: 1.5230039939935778
Energy: 0.8902437809444432
Energy: 1.52300399399498
Energy: 0.8832214009702553
Energy: 1.5087230365186552
Energy: 1.0815307899084392
Energy: 1.5087230365193565
Energy: 1.192803324700435
Energy: 1.3668487967794247
Energy: 0.8840791355618767
Energy: 1.3668487967780225
Energy: 0.886348945436054
Energy: 1.539352220329169
Energy: 1.0770980768598581
Energy: 1.539352220329169
Energy: 0.86039266026094
Energy: 1.3936935837913513
Energy: 0.8901637962148038
Energy: 1.3936935837913513
Energy: 0.865759955349691
Energy: 1.5081245063665683
Energy: 1.079378955218254
Energy: 1.5081245063665683
Energy: 0.8532201070345232
Energy: 1.045407012549091
Energy: 0.887209997960894
Energy: 1.0454070125546995
Energy: 0.8866000345094521
Energy: 1.539342181486978
Energy: 1.409899333355534
Energy: 1.539342181486978

minimum gb energy = 0.8532201070345232 eV
minimum distance =  2.26799719332747 Angstroms
sigma value = 85


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

Energy: 1.1563707779286867
Energy: 1.4114192078748633
Energy: 0.7911657314416245
Energy: 1.4114192078748633
Energy: 1.664134712659414
Energy: 1.2690344411600012
Energy: 0.8112172316171266
Energy: 1.2690344411593932
Energy: 1.1092053234269217
Energy: 1.1104800064270324
Energy: 1.0683539065046619
Energy: 1.1104800064270324
Energy: 1.383466238776341
Energy: 0.9799014764474508
Energy: 0.8108614251045082
Energy: 0.9799014764474508
Energy: 0.8502555455738862
Energy: 1.0777944471034824
Energy: 0.7708943163360018
Energy: 1.0777944471028744
Energy: 1.2300405029128492
Energy: 0.9840251207969211
Energy: 0.8108884296476168
Energy: 0.9840251207993531
Energy: 0.8069450364565406
Energy: 1.1317333092493636
Energy: 0.890954747131274
Energy: 1.1317333092499715
Energy: 1.0723773647800725
Energy: 1.2688125765325413
Energy: 0.8109404728607751
Energy: 1.2688125765331493
Energy: 0.8101240375578158
Energy: 1.0922278904926594
Energy: 1.0378899431252657
Energy: 1.0922278904932674
Energy: 0.9282902414402384
Energy: 1.131718351397931
Energy: 0.8078414415001964
Energy: 1.131718351398539
Energy: 0.8105961622542665
Energy: 0.9836913453374823
Energy: 1.1843543419333837
Energy: 0.9836913453380902
Energy: 0.7715679000351393
Energy: 0.9805945426540825
Energy: 0.8511565239153408
Energy: 0.9805945426534746
Energy: 0.8104948360886927
Energy: 1.0926094160989837
Energy: 1.398177284066674
Energy: 1.0926094160983757
Energy: 0.7744049666389293
Energy: 1.1100634694581832
Energy: 1.1102721150724235
Energy: 1.1100634694581832
Energy: 0.8105886989931864
Energy: 1.2686893148677676
Energy: 1.5201627497020198
Energy: 1.2686893148677676
Energy: 0.7734740020192203
Energy: 1.4118437393084924
Energy: 1.1572104821516611
Energy: 1.4118437393084924
Energy: 0.8102526165464319
Energy: 1.0927142222966655
Energy: 1.5213990671910815
Energy: 1.0927142222960573
Energy: 0.9776553932960464
Energy: 1.1100873697425568
Energy: 1.1102699467146608
Energy: 1.1100873697425568
Energy: 0.8106186192383091
Energy: 1.2685329344961684
Energy: 1.3831414735449419
Energy: 1.2685329344967766
Energy: 0.9683022960219664
Energy: 1.4365158326253828
Energy: 0.8509773817593219
Energy: 1.4365158326253828
Energy: 0.8102025732709851
Energy: 1.0938833017900065
Energy: 1.2297307266099715
Energy: 1.0938833017900065
Energy: 0.9664182190167758
Energy: 1.1359261878127755
Energy: 0.8078781902830966
Energy: 1.1359261878127755
Energy: 0.8104227457566064
Energy: 1.2688818883068678
Energy: 1.072991504263671
Energy: 1.2688818883068678
Energy: 0.97224517533557
Energy: 1.0058879424054663
Energy: 0.8109231673876993
Energy: 1.0058879423975624
Energy: 0.810352516135896
Energy: 0.9798821787445475
Energy: 0.9258296271512669
Energy: 0.9798821787445475
Energy: 1.2624589316441577
Energy: 1.1103205754206946
Energy: 0.8118662791861851
Energy: 1.1103205754206946
Energy: 0.8532882976053946
Energy: 0.9802591841562309
Energy: 0.771240155526698
Energy: 0.9802591841556231
Energy: 1.2572830325371454
Energy: 1.432570018659338
Energy: 0.8102558777372079
Energy: 1.432570018659338
Energy: 1.1125234747766246
Energy: 1.1105027413064572
Energy: 0.7791272972405016
Energy: 1.1105027413064572
Energy: 1.5212282251304214
Energy: 1.26839478946559
Energy: 0.811915300335392
Energy: 1.2683947894649819
Energy: 1.159409251106116
Energy: 1.4129026116701213
Energy: 0.7738921879509743
Energy: 1.4129026116701213
Energy: 1.4064206856026442
Energy: 1.4324908635742697
Energy: 0.8110868933685853
Energy: 1.4324908635742697
Energy: 1.11277800079119
Energy: 1.1102238314543709
Energy: 0.7782090675152834
Energy: 1.110223831453763
Energy: 1.383616049286546
Energy: 1.2684772157216775
Energy: 0.8100646995960171
Energy: 1.2684772157216775
Energy: 0.8536268093288893
Energy: 1.4371940923725204
Energy: 0.9686595177564179
Energy: 1.4371940923725204
Energy: 1.078172677118842
Energy: 1.4256800637122247
Energy: 0.8111442543437358
Energy: 1.4256800637122247
Energy: 0.8105268139423965
Energy: 1.109874965112362
Energy: 0.9658509833767065
Energy: 1.1098749651117543
Energy: 1.064484687768412
Energy: 1.1101487420069922
Energy: 0.8118171024540701
Energy: 1.110148742006384
Energy: 0.8104919353940347
Energy: 1.3992756512689513
Energy: 0.9723079295204505
Energy: 1.399275651268343
Energy: 0.7801170522634783
Energy: 1.3194588764790622
Energy: 0.8071147551473927
Energy: 1.3194588764790622
Energy: 0.8101773680022424
Energy: 1.1103861531350228
Energy: 1.2620932270876373
Energy: 1.1103861531338066
Energy: 0.7709115820407961
Energy: 0.9798175158221306
Energy: 0.8502495419946093
Energy: 0.9798175158221306
Energy: 0.8106454296608824
Energy: 1.3995575350014107
Energy: 1.2568940846711096
Energy: 1.3995575350014107

minimum gb energy = 0.7708943163360018 eV
minimum distance =  2.25678098633279 Angstroms
sigma value = 113


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

Energy: 0.020522328060128124
Energy: 0.021436221011043866
Energy: 2.507997486612078
Energy: 0.021436221011511273
Energy: 1.222911991525586
Energy: 0.4553862227257786
Energy: 0.4546870946853834
Energy: 0.4553862227248957
Energy: 0.020522328060128124
Energy: 0.021436221011043866
Energy: 1.2235870524206387
Energy: 0.021436221011511273
Energy: 1.222911991525586
Energy: 0.4553862227257786
Energy: 0.45468709498140447
Energy: 0.45538622272442836
Energy: 0.020522328060128124
Energy: 0.021436221011043866
Energy: 1.2235761184680085
Energy: 0.021436221011043866
Energy: 1.2229119915260533
Energy: 0.455386222726246
Energy: 0.45468709440125504
Energy: 0.45538622272536317

minimum gb energy = 0.020522328060128124 eV
minimum distance =  2.4849283638348 Angstroms
sigma value = 1