Model name: model_name=MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650763273239
cohesive_energy=3.360264280667937
mass=26.981538
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: 0.010384127833843326
Energy: 0.010868762089044684
Energy: 0.7158848616490816
Energy: 0.010868762089044684
Energy: 0.010868762089044684
Energy: 0.5098374555173518
Energy: 0.010868762089044684
Energy: 0.509837455517825
Energy: 0.7158848616490816
Energy: 0.010868762089044684
Energy: 0.010384127833843326
Energy: 0.010868762089044684
Energy: 0.010868762089044684
Energy: 0.509837455517825
Energy: 0.010868762089044684
Energy: 0.509837455517825

minimum gb energy = 0.010384127833843326 eV
minimum distance =  2.70790589355468 Angstroms
sigma value = 1


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

Energy: 0.570432372247826
Energy: 0.5617970375545042
Energy: 0.6005478993446732
Energy: 0.5617970375545042
Energy: 0.5592869676853556
Energy: 0.5699760778790045
Energy: 0.540619738851316
Energy: 0.5699760778790045
Energy: 0.5398580668304853
Energy: 0.553934595948384
Energy: 0.5540119936581647
Energy: 0.553934595948384
Energy: 0.5431433792397189
Energy: 0.5730326326271136
Energy: 0.5444526977451002
Energy: 0.5730326326271136
Energy: 0.5446240489085483
Energy: 0.5682854027564367
Energy: 0.5569067470342938
Energy: 0.5682854027564367
Energy: 0.5389860867527959
Energy: 0.6250274154256191
Energy: 0.5367662146328058
Energy: 0.6250274154256191
Energy: 0.5608034241092725
Energy: 0.5523568179194576
Energy: 0.5394130227972569
Energy: 0.5523568179194576
Energy: 0.5242232978736874
Energy: 0.5659114642583251
Energy: 0.5375421696260748
Energy: 0.5659114642583251
Energy: 0.5440684940148688
Energy: 0.5504566630628366
Energy: 0.5423946546739029
Energy: 0.550456663062229
Energy: 0.543040240483125
Energy: 0.5532237162941793
Energy: 0.5247959359969159
Energy: 0.5532237162935716
Energy: 0.542488303641446
Energy: 0.5680342023658554
Energy: 0.5441786740498816
Energy: 0.5680342023658554
Energy: 0.571978567612162
Energy: 0.5657145080498259
Energy: 0.5468492456515014
Energy: 0.5657145080504336
Energy: 0.5394575492356192
Energy: 0.5542177051221163
Energy: 0.5612163988262339
Energy: 0.554217705122724
Energy: 0.5519300548551047
Energy: 0.5618786512766241
Energy: 0.5455378502047309
Energy: 0.5618786512766241
Energy: 0.5515396221537707
Energy: 0.567123080469467
Energy: 0.5483677819130733
Energy: 0.5671230804700745
Energy: 0.5556963527482164
Energy: 0.5618938782780006
Energy: 0.5520027502537778
Energy: 0.5618938782780006
Energy: 0.5540967026518713
Energy: 0.5538551846214207
Energy: 0.5303297893006301
Energy: 0.5538551846214207
Energy: 0.5405709244474637
Energy: 0.5623811399441163
Energy: 0.5727010143357386
Energy: 0.5623811399441163
Energy: 0.5776358432798739
Energy: 0.5642140084273799
Energy: 0.5464030900860275
Energy: 0.5642140084273799
Energy: 0.5513063055010964
Energy: 0.5502206725964642
Energy: 0.5450682103039908
Energy: 0.5502206725964642
Energy: 0.5529175779771577
Energy: 0.5538236360136651
Energy: 0.529406793789963
Energy: 0.5538236360130574
Energy: 0.5444963255233661
Energy: 0.6360539216734018
Energy: 0.5519931643532104
Energy: 0.6360539216734018
Energy: 0.5521851212250717
Energy: 0.565685763208486
Energy: 0.5340067893839516
Energy: 0.5656857632078783
Energy: 0.5491349536992798
Energy: 0.5535467591128822
Energy: 0.5390457207704662
Energy: 0.5535467591122747
Energy: 0.5393502852866802
Energy: 0.6279649989191168
Energy: 0.5612844824034507
Energy: 0.6279649989191168
Energy: 0.5468819987282544
Energy: 0.5657958408539354
Energy: 0.5453666899598236
Energy: 0.5657958408533278
Energy: 0.5567426274505961
Energy: 0.6220659942503991
Energy: 0.5440729663380736
Energy: 0.6220659942503991
Energy: 0.536026123130969
Energy: 0.5521681617327818
Energy: 0.5596774092375656
Energy: 0.5521681617321742
Energy: 0.5589426007298134
Energy: 0.5676809629318873
Energy: 0.5511355633437321
Energy: 0.5676809629312798
Energy: 0.5814501737023432
Energy: 0.562452671067974
Energy: 0.5760853530592384
Energy: 0.562452671067974
Energy: 0.5545479619834087
Energy: 0.5605607310664243
Energy: 0.5394316301825811
Energy: 0.5605607310664243
Energy: 0.5444439119312076
Energy: 0.5565475214401724
Energy: 0.551985354734656
Energy: 0.5565475214395648
Energy: 0.5446811675682929
Energy: 0.5755868886981645
Energy: 0.546068827045591
Energy: 0.5755868886981645

minimum gb energy = 0.5242232978736874 eV
minimum distance =  2.57805759620457 Angstroms
sigma value = 1


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

Energy: 0.5947299962454604
Energy: 0.6040255982726832
Energy: 0.6100433010906393
Energy: 0.6040255982719904
Energy: 0.574641416374512
Energy: 0.5948019161825365
Energy: 0.5581092139389369
Energy: 0.594801916184615
Energy: 0.5696213481217097
Energy: 0.6069138162031508
Energy: 0.5690781186603807
Energy: 0.6069138162031508
Energy: 0.5600879590185588
Energy: 0.6035666855723387
Energy: 0.560919840116236
Energy: 0.6035666855723387
Energy: 0.5597949826254707
Energy: 0.589885005208844
Energy: 0.5786800122161104
Energy: 0.589885005208844
Energy: 0.6016014965333618
Energy: 0.5901170960330141
Energy: 0.5623216702099437
Energy: 0.5901170960343998
Energy: 0.5747764825870753
Energy: 0.6345728716479253
Energy: 0.5701757449325503
Energy: 0.6345728716458469
Energy: 0.5456637340851209
Energy: 0.6049336694450274
Energy: 0.5620786716943678
Energy: 0.6049336694443346
Energy: 0.5597895165837433
Energy: 0.6960119345116355
Energy: 0.5475193405007694
Energy: 0.6960119345109427
Energy: 0.5713023245214253
Energy: 0.6048694851206698
Energy: 0.5785642756142478
Energy: 0.6048694851192842
Energy: 0.5745524997497229
Energy: 0.585917234887944
Energy: 0.5582283340831882
Energy: 0.5859172348893297
Energy: 0.5524759289099358
Energy: 0.5963028300809009
Energy: 0.569248290391419
Energy: 0.5963028300815938
Energy: 0.5804125223679207
Energy: 0.5875346011051891
Energy: 0.5763462295982497
Energy: 0.587534601105882
Energy: 0.5802598451424597
Energy: 0.5875319771636506
Energy: 0.5834270014316328
Energy: 0.5875319771643434
Energy: 0.5525873392646852
Energy: 0.5963173333916152
Energy: 0.5713677594838894
Energy: 0.5963173333916152
Energy: 0.5745875791282004
Energy: 0.5859235560869256
Energy: 0.5697867874853594
Energy: 0.585923556089004
Energy: 0.5694489251247705
Energy: 0.6048873930202999
Energy: 0.605732875009961
Energy: 0.604887393019607
Energy: 0.5596798505492067
Energy: 0.6732184090684885
Energy: 0.5476203457828214
Energy: 0.6732184093233242
Energy: 0.5456569008421623
Energy: 0.6065957620929753
Energy: 0.5641547766130749
Energy: 0.606595762094361
Energy: 0.5745829695034507
Energy: 0.6355203246743041
Energy: 0.5581084156786701
Energy: 0.6355203246763826
Energy: 0.6009048562182433
Energy: 0.5898064495395621
Energy: 0.5716696299882507
Energy: 0.5898064495381764
Energy: 0.5596708672415891
Energy: 0.5898752098943804
Energy: 0.5644551977526588
Energy: 0.5898752098950731
Energy: 0.5599347525600546
Energy: 0.6035647062354254
Energy: 0.5689496985858675
Energy: 0.6035647062347325
Energy: 0.569649807211555
Energy: 0.6067277763701784
Energy: 0.5712907026817904
Energy: 0.6067277763694856
Energy: 0.5746965658828181
Energy: 0.594957679579617
Energy: 0.5580666563797501
Energy: 0.5949576795816957
Energy: 0.5947299962461532
Energy: 0.6040255982726832
Energy: 0.660328946849846
Energy: 0.6040255982719904
Energy: 0.574641416374512
Energy: 0.5948019161825365
Energy: 0.5581092139389369
Energy: 0.594801916184615
Energy: 0.5696213481210167
Energy: 0.6069138162031508
Energy: 0.5690781186603807
Energy: 0.6069138162031508
Energy: 0.5600879590185588
Energy: 0.6035666855723387
Energy: 0.5582386989584165
Energy: 0.6035666855723387

minimum gb energy = 0.5456569008421623 eV
minimum distance =  2.52432946013001 Angstroms
sigma value = 25


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

Energy: 0.6133256861343739
Energy: 0.626443498718578
Energy: 0.6452179038040426
Energy: 0.626443498718578
Energy: 0.5800623442045713
Energy: 0.6276242726161908
Energy: 0.5875746686959266
Energy: 0.6276242726153853
Energy: 0.5783241452012403
Energy: 0.652551148406793
Energy: 0.5898903017491627
Energy: 0.652551148406793
Energy: 0.5878256756302908
Energy: 0.6439564567602296
Energy: 0.5790956782619038
Energy: 0.6439564567610352
Energy: 0.5800340235941223
Energy: 0.6282960629457701
Energy: 0.582518667593486
Energy: 0.6282960629457701
Energy: 0.6309580950977154
Energy: 0.6536489841422151
Energy: 0.5940531923965836
Energy: 0.6536489841422151
Energy: 0.5786939080670865
Energy: 0.6740837144768332
Energy: 0.5935001358522751
Energy: 0.6740837144768332
Energy: 0.681367723131883
Energy: 0.6281434157740089
Energy: 0.57096946767445
Energy: 0.6281434157748144
Energy: 0.5935030575121311
Energy: 0.6092132334006602
Energy: 0.5788348735665226
Energy: 0.6092132334006602
Energy: 0.6135279070666396
Energy: 0.6543704385003548
Energy: 0.575923412926958
Energy: 0.6543704385011603
Energy: 0.5793762951100044
Energy: 0.6257022019100978
Energy: 0.5856312441385063
Energy: 0.6257022019092925
Energy: 0.5996061867266383
Energy: 0.6265374155362399
Energy: 0.5856827690253941
Energy: 0.6265374155362399
Energy: 0.5896166207180785
Energy: 0.6451603355103547
Energy: 0.5758102058660528
Energy: 0.6451603355103547
Energy: 0.5938519913579867
Energy: 0.6405510047828683
Energy: 0.5803328131899953
Energy: 0.6405510047828683
Energy: 0.5843645631024614
Energy: 0.6287223908974408
Energy: 0.5698896050285502
Energy: 0.6287223908974408
Energy: 0.5784745223234301
Energy: 0.5893302619131914
Energy: 0.5809732479377147
Energy: 0.5893302619131914
Energy: 0.5696179693260609
Energy: 0.6525156040780338
Energy: 0.5671991947871141
Energy: 0.6525156040780338
Energy: 0.5789813612158942
Energy: 0.6151603500213831
Energy: 0.5805410789664609
Energy: 0.6151603500205778
Energy: 0.5777234407065843
Energy: 0.6449002150915949
Energy: 0.5795819028428858
Energy: 0.6449002150915949
Energy: 0.5958782978612203
Energy: 0.6533291940482914
Energy: 0.5882010527838812
Energy: 0.6533291940482914
Energy: 0.5913985593907236
Energy: 0.6272656477561
Energy: 0.5857909312303242
Energy: 0.6272656477561
Energy: 0.6118845772039989
Energy: 0.6276204296323018
Energy: 0.6389550303859739
Energy: 0.6276204296323018
Energy: 0.578720831603291
Energy: 0.6150658665799401
Energy: 0.586151439959696
Energy: 0.6150658665799401
Energy: 0.5790128129662567
Energy: 0.6517178686551064
Energy: 0.6137986596014553
Energy: 0.6517178686551064
Energy: 0.5860037255973992
Energy: 0.6243154113923246
Energy: 0.5788744263590745
Energy: 0.6243154113923246

minimum gb energy = 0.5671991947871141 eV
minimum distance =  2.52749263648669 Angstroms
sigma value = 9


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

Energy: 0.6368902976332801
Energy: 0.6950636385173645
Energy: 0.7424406379375014
Energy: 0.6950636385173645
Energy: 0.624175712317999
Energy: 0.6613429177824616
Energy: 0.603623669322086
Energy: 0.6613429177815008
Energy: 0.5908590502721317
Energy: 0.6835633250864503
Energy: 0.6030726457355233
Energy: 0.6835633250864503
Energy: 0.5972567078419759
Energy: 0.6998405703228069
Energy: 0.5960815100016573
Energy: 0.6998405703228069
Energy: 0.6325733288434353
Energy: 0.6457374969837085
Energy: 0.5982740325047611
Energy: 0.6457374969837085
Energy: 0.5973898262169498
Energy: 0.686058303969542
Energy: 0.6099939340002603
Energy: 0.686058303969542
Energy: 0.596487431663478
Energy: 0.5948995209353992
Energy: 0.5954518825053573
Energy: 0.5948995209353992
Energy: 0.629670028206678
Energy: 0.6860279750687974
Energy: 0.6093547613275958
Energy: 0.6860279750678366
Energy: 0.5963724516326733
Energy: 0.6469493415841419
Energy: 0.6115646179497142
Energy: 0.6469493415841419
Energy: 0.5963591625073634
Energy: 0.6953775939447672
Energy: 0.5974102335491286
Energy: 0.6953775939438063
Energy: 0.5964081463099422
Energy: 0.6812184730110299
Energy: 0.6094711767472714
Energy: 0.681218473010069
Energy: 0.597394382589654
Energy: 0.6580609927691659
Energy: 0.6096359987314309
Energy: 0.6580609927701268
Energy: 0.5990822519993563
Energy: 0.6842330680870337
Energy: 0.6181193427061047
Energy: 0.6842330680879944
Energy: 0.6236658985068921
Energy: 0.6712713104782797
Energy: 0.5970453478840353
Energy: 0.6712713104782797
Energy: 0.5991168575328034
Energy: 0.685894550640981
Energy: 0.6336981542708113
Energy: 0.685894550640981
Energy: 0.5969873764863033
Energy: 0.6953058241109211
Energy: 0.5961726515729419
Energy: 0.6953058241118818
Energy: 0.6276759190293296
Energy: 0.6721736288815972
Energy: 0.6030581003301254
Energy: 0.6721736288825578
Energy: 0.6091063348739377
Energy: 0.695725605143675
Energy: 0.5982020697035754
Energy: 0.695725605143675
Energy: 0.6096405366687345
Energy: 0.6452266613182636
Energy: 0.6036103286582645
Energy: 0.6452266613182636
Energy: 0.6569257961811715
Energy: 0.6839823916414711
Energy: 0.6099206576100764
Energy: 0.6839823916405104
Energy: 0.5962307390478594
Energy: 0.6631151814467683
Energy: 0.6099931707596312
Energy: 0.6631151814458074

minimum gb energy = 0.5908590502721317 eV
minimum distance =  2.57151936444709 Angstroms
sigma value = 25


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

Energy: 0.603042895095576
Energy: 0.7081769402167214
Energy: 0.7112847145207897
Energy: 0.7081769402155332
Energy: 0.5929325193809596
Energy: 0.6023796300509079
Energy: 0.5880904771689309
Energy: 0.6023796300509079
Energy: 0.588077172000766
Energy: 0.6583673296740641
Energy: 0.5951059646464085
Energy: 0.658367329813002
Energy: 0.6033247255169903
Energy: 0.6586703669876829
Energy: 0.6848083494689394
Energy: 0.6586703669876829
Energy: 0.6822138538334751
Energy: 0.5928111962403293
Energy: 0.612590240587745
Energy: 0.5928111962403293
Energy: 0.5901744005193039
Energy: 0.7334438806163089
Energy: 0.5889054523770322
Energy: 0.7334438806174972
Energy: 0.5883099680474951
Energy: 0.6570775172997952
Energy: 0.5876593951498821
Energy: 0.6570775172997952
Energy: 0.6858166159704174
Energy: 0.7087523750027617
Energy: 0.6032360880869225
Energy: 0.7087523750039498
Energy: 0.5949932459296068
Energy: 0.6597376841442818
Energy: 0.5930701349508825
Energy: 0.6597376841442818
Energy: 0.6858822583006077
Energy: 0.6733564280006539
Energy: 0.5899183456133512
Energy: 0.6733564280006539
Energy: 0.6081436351251888
Energy: 0.7081598100770057
Energy: 0.7741705740807378
Energy: 0.7081598100770057
Energy: 0.5882598893937468
Energy: 0.6072141938379436
Energy: 0.6910190050046143
Energy: 0.6072141938379436
Energy: 0.6779008639869466
Energy: 0.6731192842674454
Energy: 0.5875880514310186
Energy: 0.6731192842674454
Energy: 0.5878086098537977
Energy: 0.66304429188521
Energy: 0.603559727805332
Energy: 0.66304429188521
Energy: 0.6018898772597135
Energy: 0.707764461496152
Energy: 0.6802375741194636
Energy: 0.707764461496152
Energy: 0.5953339370435233
Energy: 0.6730950332357408
Energy: 0.5903334624909632
Energy: 0.6730950332357408
Energy: 0.5951047090778179
Energy: 0.6257883264997963
Energy: 0.6867927626786468
Energy: 0.6257883264997963

minimum gb energy = 0.5875880514310186 eV
minimum distance =  2.61544662887213 Angstroms
sigma value = 17


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

Energy: 0.6590240935921484
Energy: 0.6592421746087095
Energy: 0.7954562611801986
Energy: 0.6592421746080366
Energy: 0.6847190027939929
Energy: 0.6290016891433321
Energy: 0.6006781057481235
Energy: 0.629001689142659
Energy: 0.6899602266531049
Energy: 0.6596530780262405
Energy: 0.6043319384057584
Energy: 0.6596530780255675
Energy: 0.5999264597704851
Energy: 0.6068173923133152
Energy: 0.6490629910821526
Energy: 0.6068173923072588
Energy: 0.7028691074492412
Energy: 0.6745890300512511
Energy: 0.6009848133550975
Energy: 0.6745890300512511
Energy: 0.6044626713119046
Energy: 0.6131948994178346
Energy: 0.6852046696381474
Energy: 0.6131948994164887
Energy: 0.6013623292937144
Energy: 0.6545952681263922
Energy: 0.6044375334751657
Energy: 0.6545952681263922
Energy: 0.6839279920485755
Energy: 0.6041618658554336
Energy: 0.6055477637224834
Energy: 0.604161865850723
Energy: 0.6045738777370182
Energy: 0.6767794293192686
Energy: 0.6987557885989617
Energy: 0.6767794293192686
Energy: 0.7489610415236181
Energy: 0.6390051358310591
Energy: 0.6026126666322492
Energy: 0.6390051358451909
Energy: 0.6006601438482134
Energy: 0.6053986863609382
Energy: 0.691774555591855
Energy: 0.605398686362957
Energy: 0.6051446095945379
Energy: 0.6529209175721404
Energy: 0.6056446445778401
Energy: 0.6529209175721404
Energy: 0.6854887798497409
Energy: 0.6050475462350623
Energy: 0.6044869578253047
Energy: 0.6050475462330435
Energy: 0.6023433085758709
Energy: 0.7107464476362232
Energy: 0.6888029501689048
Energy: 0.7107464476362232
Energy: 0.6520399268032526
Energy: 0.6543284324243955
Energy: 0.6053374631553498
Energy: 0.6543284324243955
Energy: 0.7022619245465913
Energy: 0.6044467753096272
Energy: 0.6993516767739264
Energy: 0.6044467753089541
Energy: 0.6043702616077673
Energy: 0.6419917884745687
Energy: 0.7355160646120914
Energy: 0.6419917884738958
Energy: 0.6841098906410512
Energy: 0.6015809669073686
Energy: 0.6043816341437518
Energy: 0.60158096688247
Energy: 0.6086100351247916
Energy: 0.6582283072764397
Energy: 0.6464011906519244
Energy: 0.6582283072784584
Energy: 0.6004795186879766
Energy: 0.7070926454958675
Energy: 0.5999730330247016
Energy: 0.7070926454958675
Energy: 0.6491417988105931
Energy: 0.6595738950388713
Energy: 0.6904855410002867
Energy: 0.6595738950388713
Energy: 0.6016186635424733
Energy: 0.6886440629128799
Energy: 0.7470757011535741
Energy: 0.6886440629128799
Energy: 0.6971457353283658
Energy: 0.6604343780281835
Energy: 0.5988787605337419
Energy: 0.6604343780281835
Energy: 0.6037802906777026
Energy: 0.6560221391835235
Energy: 0.6834749795163534
Energy: 0.6560221391835235
Energy: 0.6039135631154886
Energy: 0.6578045463050283
Energy: 0.6842758677100356
Energy: 0.6578045463063741
Energy: 0.6961211021893022
Energy: 0.6046071540058718
Energy: 0.5994188488365028
Energy: 0.6046071538383717
Energy: 0.6008937272615763
Energy: 0.6891224252650199
Energy: 0.7551891433534974
Energy: 0.6891224252650199
Energy: 0.6877089798200133
Energy: 0.6132534111623129
Energy: 0.6909708948043168
Energy: 0.61325341116164
Energy: 0.7285564994257205
Energy: 0.7069700234360526
Energy: 0.6011695392709687
Energy: 0.7069700234367255
Energy: 0.6046214676046975
Energy: 0.6780030184922102
Energy: 0.6846629405976877
Energy: 0.6780030184928832

minimum gb energy = 0.5988787605337419 eV
minimum distance =  2.49405027306608 Angstroms
sigma value = 53


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

Energy: 0.5520445232319878
Energy: 0.5522420908268961
Energy: 0.7687630928559347
Energy: 0.5522420908268961
Energy: 0.6844719629153836
Energy: 0.6007160165098623
Energy: 0.5964901031245617
Energy: 0.6007160165098623
Energy: 0.5527551669474344
Energy: 0.552552693121237
Energy: 0.6652773558466283
Energy: 0.5525526931227862
Energy: 0.5525909036657559
Energy: 0.5525423663396264
Energy: 0.6455273851691242
Energy: 0.5525423663396264
Energy: 0.67736144032692
Energy: 0.6007097935630672
Energy: 0.5965187303841056
Energy: 0.6007097935630672
Energy: 0.552044523233537
Energy: 0.5522420908268961
Energy: 0.8052792847767524
Energy: 0.5522420908284453
Energy: 0.6844719629153836
Energy: 0.6007160165098623
Energy: 0.6866355548242714
Energy: 0.6007160165098623
Energy: 0.5527551669458852
Energy: 0.5525526931227862
Energy: 0.6652773558481776
Energy: 0.552552693121237
Energy: 0.5525909036657559
Energy: 0.5525423663396264
Energy: 0.6865854621249543
Energy: 0.5525423663396264
Energy: 0.6773614400172177
Energy: 0.6007097935630672
Energy: 0.6598205168725737
Energy: 0.6007097935630672
Energy: 0.5520445232319878
Energy: 0.5522420908268961
Energy: 0.8052792847752032
Energy: 0.5522420908268961
Energy: 0.6844719629153836
Energy: 0.6007160165098623
Energy: 0.6866355548242714
Energy: 0.6007160165098623
Energy: 0.5527551669458852
Energy: 0.5525526931227862
Energy: 0.6652773558481776
Energy: 0.552552693121237

minimum gb energy = 0.5520445232319878 eV
minimum distance =  2.60571148037413 Angstroms
sigma value = 9


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

Energy: 0.6202092581298583
Energy: 0.6294670012202219
Energy: 0.7834145964577343
Energy: 0.6294670012202219
Energy: 0.750833777539205
Energy: 0.6501194634110553
Energy: 0.633730521549611
Energy: 0.6501194634110553
Energy: 0.6277003792086089
Energy: 0.6143647952680878
Energy: 0.6379340485792743
Energy: 0.6143647952686612
Energy: 0.7027477834372595
Energy: 0.7306101600722211
Energy: 0.6366816774134004
Energy: 0.7306101600722211
Energy: 0.6932362749584527
Energy: 0.6413215649092331
Energy: 0.6331918729653345
Energy: 0.6413215649086598
Energy: 0.6143566527097779
Energy: 0.6140673991712983
Energy: 0.7244038051974706
Energy: 0.6140673991712983
Energy: 0.820027907517803
Energy: 0.6382397164441218
Energy: 0.6369845800512894
Energy: 0.6382397164435485
Energy: 0.6295470008301234
Energy: 0.7276325212156103
Energy: 0.6874183823751876
Energy: 0.7276325212150369
Energy: 0.6292986764289699
Energy: 0.7321540935016154
Energy: 0.6214986362921858
Energy: 0.7321540935016154
Energy: 0.6273897010614617
Energy: 0.6425948979038272
Energy: 0.6282809622982012
Energy: 0.6425948979032537
Energy: 0.6349613147793159
Energy: 0.7233686138697231
Energy: 0.8258975517583995
Energy: 0.7233686138702964
Energy: 0.7195895568460567
Energy: 0.7604176895914972
Energy: 0.6351307092154002
Energy: 0.7604176895920707
Energy: 0.6347711804083918
Energy: 0.6792494985964174
Energy: 0.7270883918484847
Energy: 0.6792494985946972
Energy: 0.7239380448763045
Energy: 0.7237078369662753
Energy: 0.6246853899754374
Energy: 0.7237078369662753
Energy: 0.6364483261403819
Energy: 0.688428842239201
Energy: 0.6506869359172162
Energy: 0.6884288422386275
Energy: 0.6360664050474106
Energy: 0.7322629807510574
Energy: 0.7138086265015622
Energy: 0.7322629807510574
Energy: 0.6502417606984727
Energy: 0.6884334556444279
Energy: 0.6368670360590053
Energy: 0.6884334556444279
Energy: 0.6370315228078505
Energy: 0.6383408490011524
Energy: 0.7563267395028745
Energy: 0.6383408490017258
Energy: 0.6984776306450966
Energy: 0.6796949516308762
Energy: 0.6159155278991845
Energy: 0.6796949516308762
Energy: 0.6359010779898083
Energy: 0.6494478209627058
Energy: 0.6948123276204357
Energy: 0.6494478209627058
Energy: 0.6868501475529576
Energy: 0.7322496009460996
Energy: 0.6879161330615605
Energy: 0.7322496009455263
Energy: 0.6515621443907753
Energy: 0.682232928810162
Energy: 0.6300917425944944
Energy: 0.682232928810162
Energy: 0.6219225769897397
Energy: 0.6789095677655129
Energy: 0.631568572795419
Energy: 0.6789095677649395
Energy: 0.779335079122724
Energy: 0.6836098001771023
Energy: 0.630036824094839
Energy: 0.6836098001776757
Energy: 0.6356058921536276
Energy: 0.7605828400418816
Energy: 0.7871710125562935
Energy: 0.7605828400418816
Energy: 0.6796975477620097
Energy: 0.6145472987985857
Energy: 0.6292608746820778
Energy: 0.6145472987980123
Energy: 0.6467280012917128
Energy: 0.6523101170159484
Energy: 0.7098125001849453
Energy: 0.652310117015375
Energy: 0.6297175303948696
Energy: 0.7222272992935566
Energy: 0.7223512994380219
Energy: 0.7222272992929831
Energy: 0.6785518658345242
Energy: 0.6143431750772691
Energy: 0.628346495980835
Energy: 0.6143431750778425
Energy: 0.6341695673766532
Energy: 0.7903891964426218
Energy: 0.7821756841096726
Energy: 0.7903891964420485
Energy: 0.7761117774173454
Energy: 0.7234119078247178
Energy: 0.6289831032901063
Energy: 0.7234119078252911
Energy: 0.6250010750873498
Energy: 0.6429837338189925
Energy: 0.6294289144768858
Energy: 0.6429837338195659
Energy: 0.6272486026072682
Energy: 0.6817659854557783
Energy: 0.6279272556028952
Energy: 0.6817659854557783
Energy: 0.6851022268532683
Energy: 0.7233054465707399
Energy: 0.7135879205887317
Energy: 0.7233054465707399
Energy: 0.6448212536819367
Energy: 0.6917999124419939
Energy: 0.8247076631523411
Energy: 0.6917999124414205

minimum gb energy = 0.6140673991712983 eV
minimum distance =  2.55642451451085 Angstroms
sigma value = 73


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

Energy: 0.6637610327190253
Energy: 0.6257931771443122
Energy: 0.7859860297629262
Energy: 0.6257931771443122
Energy: 0.6351861349998091
Energy: 0.6564039756089379
Energy: 0.6294241652072966
Energy: 0.6564039756089379
Energy: 0.6339809869962206
Energy: 0.6199179100487224
Energy: 0.619688004538391
Energy: 0.6199179100496321
Energy: 0.6385591359708253
Energy: 0.6279408579890021
Energy: 0.647465327887037
Energy: 0.6279408579890021
Energy: 0.6854638473296839
Energy: 0.6588008063793636
Energy: 0.6349794571041955
Energy: 0.6588008063793636
Energy: 0.6375830887249205
Energy: 0.6210806100263784
Energy: 0.78276583126748
Energy: 0.6210806100263784
Energy: 0.8313967916970985
Energy: 0.7051998331502096
Energy: 0.6408605544393997
Energy: 0.7051998331502096
Energy: 0.6323452557256216
Energy: 0.6147075700725712
Energy: 0.708265033756142
Energy: 0.6147075700725712
Energy: 0.8400014549348891
Energy: 0.6165470200472943
Energy: 0.6168456100877427
Energy: 0.6165470200472943
Energy: 0.635846845383135
Energy: 0.6597680263705574
Energy: 0.6303925965429289
Energy: 0.6597680263705574
Energy: 0.6289673833358982
Energy: 0.6166840393251047
Energy: 0.7668204818840332
Energy: 0.6166840393251047
Energy: 0.749065292475767
Energy: 0.6268437704555717
Energy: 0.6398103268415709
Energy: 0.6268437704555717
Energy: 0.6374556658159947
Energy: 0.6495192627607478
Energy: 0.8781339470026667
Energy: 0.6495192627607478
Energy: 0.7794634697868736
Energy: 0.685922844192298
Energy: 0.6505873251421621
Energy: 0.685922844192298
Energy: 0.6341218284316847
Energy: 0.6653235048423778
Energy: 0.7466130469525568
Energy: 0.6653235048432874
Energy: 0.7747480064857263
Energy: 0.6159336927241504
Energy: 0.6337336092523714
Energy: 0.6159336927241504
Energy: 0.6676914738161416
Energy: 0.6796938831241564
Energy: 0.6339177601368627
Energy: 0.6796938831250661
Energy: 0.6662174822971907
Energy: 0.6793943080712245
Energy: 0.6404799695122361
Energy: 0.6793943080712245
Energy: 0.7133654992621153
Energy: 0.6145294499604156
Energy: 0.6323284677140444
Energy: 0.6145294499595058
Energy: 0.6416963376328806
Energy: 0.6885809631539509
Energy: 0.8007633648799148
Energy: 0.6885809631539509
Energy: 0.7706535513030255
Energy: 0.6208773316307529
Energy: 0.6382964462715964
Energy: 0.6208773316307529
Energy: 0.6471360900493467
Energy: 0.6555563526975863
Energy: 0.7145342139659157
Energy: 0.6555563526975863

minimum gb energy = 0.6145294499595058 eV
minimum distance =  2.54586063266393 Angstroms
sigma value = 7


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

Energy: 0.6311478822622588
Energy: 0.6307857158705851
Energy: 0.7905397395027149
Energy: 0.6307857158712284
Energy: 0.8028254458003532
Energy: 0.6545997693911175
Energy: 0.6184935940434283
Energy: 0.6545997693911175
Energy: 0.6248515456508705
Energy: 0.6313866150839973
Energy: 0.6419496012431637
Energy: 0.6313866150852838
Energy: 0.6565150431547231
Energy: 0.6602004590984878
Energy: 0.6282441825710675
Energy: 0.6602004590978446
Energy: 0.6246280491990428
Energy: 0.649267013244449
Energy: 0.6249845243725691
Energy: 0.649267013244449
Energy: 0.6251314008542826
Energy: 0.6319176570109695
Energy: 0.7860020147072104
Energy: 0.6319176570116127
Energy: 0.7309551654047862
Energy: 0.6922307828709581
Energy: 0.6504664014690077
Energy: 0.6922307828696715
Energy: 0.6250120101058855
Energy: 0.6313586866835547
Energy: 0.8258110930253624
Energy: 0.6313586866829114
Energy: 0.7247839404543458
Energy: 0.6556570822216126
Energy: 0.6271427003802804
Energy: 0.6556570822209693
Energy: 0.6249432113732308
Energy: 0.6656388632933581
Energy: 0.7029148408246325
Energy: 0.6656388632927149
Energy: 0.6569194731834065
Energy: 0.7084040802449093
Energy: 0.655914575445766
Energy: 0.7084040802449093
Energy: 0.6309780650529757
Energy: 0.6493378279086135
Energy: 0.6557899772272248
Energy: 0.6493378279086135
Energy: 0.6335999517883988
Energy: 0.6321440844599807
Energy: 0.6544339421004072
Energy: 0.6321440844586941
Energy: 0.6573685708728052
Energy: 0.6283092836575611
Energy: 0.6443231047245942
Energy: 0.6283092836575611
Energy: 0.6169649621463248
Energy: 0.6597438289727421
Energy: 0.7553079400118778
Energy: 0.6597438289733855
Energy: 0.8244431498741281
Energy: 0.6280296428352312
Energy: 0.6314986550463995
Energy: 0.6280296428352312
Energy: 0.6384118158363903
Energy: 0.6482925204760972
Energy: 0.7019863183579048
Energy: 0.6482925204748107
Energy: 0.6249085510657436
Energy: 0.6253351864734517
Energy: 0.643829407378318
Energy: 0.6253351864747382
Energy: 0.6381144395186447
Energy: 0.7076428734535883
Energy: 0.6509646789192255
Energy: 0.7076428734510154
Energy: 0.6167491970986845
Energy: 0.6530089063344289
Energy: 0.6313051860506497
Energy: 0.6530089063363587
Energy: 0.6391300174588891
Energy: 0.7091478027074366
Energy: 0.6269602987798241
Energy: 0.7091478027087231
Energy: 0.624636605309987
Energy: 0.6318586245636114
Energy: 0.6443573100730109
Energy: 0.6318586245642546
Energy: 0.7426359288871208
Energy: 0.6561889115007352
Energy: 0.6557745630302795
Energy: 0.6561889114994486
Energy: 0.6314094141538128
Energy: 0.6311659771102069
Energy: 0.815077382039979
Energy: 0.6311659771108503
Energy: 0.631082467133306
Energy: 0.6523725390725348
Energy: 0.6502858800670942
Energy: 0.6523725390712481
Energy: 0.6378346445038672
Energy: 0.6582232014865843
Energy: 0.649744186853498
Energy: 0.658223201488514
Energy: 0.6244880398711986
Energy: 0.6625030357721395
Energy: 0.6904376632748827
Energy: 0.6625030357695664
Energy: 0.6585465584440894
Energy: 0.648404667190545
Energy: 0.6278568226740355
Energy: 0.6484046671918314
Energy: 0.6282548146034421
Energy: 0.6311132339758961
Energy: 0.7657106176421087
Energy: 0.6311132339758961
Energy: 0.6810508145085934
Energy: 0.6453368804749643
Energy: 0.6650527607250508
Energy: 0.6453368804756077
Energy: 0.628257701512633
Energy: 0.6311649934302254
Energy: 0.7561165115228405
Energy: 0.6311649934321552

minimum gb energy = 0.6167491970986845 eV
minimum distance =  2.54211669257365 Angstroms
sigma value = 29


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

Energy: 0.5940513149210246
Energy: 0.5810540840841806
Energy: 0.7042965275693199
Energy: 0.5810540840848278
Energy: 0.6594959284749484
Energy: 0.571836818746266
Energy: 0.5729607066920641
Energy: 0.5718368187460668
Energy: 0.5657440897077209
Energy: 0.6090021339953835
Energy: 0.6582704420349201
Energy: 0.6090021339953835
Energy: 0.5937158691070608
Energy: 0.5927477618910202
Energy: 0.6726870783133676
Energy: 0.5927477618912194
Energy: 0.5943288703458126
Energy: 0.5922489741861581
Energy: 0.6938831090407616
Energy: 0.5922489741861581
Energy: 0.5811085229135613
Energy: 0.6090771904868849
Energy: 0.5811302064730807
Energy: 0.6090771904868849
Energy: 0.5653977180610673
Energy: 0.5923493943526896
Energy: 0.5943296328045864
Energy: 0.5923493943526896
Energy: 0.6719213161938614
Energy: 0.592857713057252
Energy: 0.5936938417824893
Energy: 0.5928577130574761
Energy: 0.6582263474660649
Energy: 0.6090054613013637
Energy: 0.6043548490470235
Energy: 0.6090054613011397

minimum gb energy = 0.5653977180610673 eV
minimum distance =  2.59984868575073 Angstroms
sigma value = 5


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

Energy: 0.5940133807876261
Energy: 0.5917058885543945
Energy: 0.7131089395646961
Energy: 0.5917058885543945
Energy: 0.6021659355947151
Energy: 0.5866147972292114
Energy: 0.5913707476665746
Energy: 0.586614797229819
Energy: 0.581876110682291
Energy: 0.5879136137218398
Energy: 0.6954138658219073
Energy: 0.5879136137212321
Energy: 0.5947389585633966
Energy: 0.614409642461667
Energy: 0.5870382576024064
Energy: 0.614409642461667
Energy: 0.5860832676322363
Energy: 0.6172980193522604
Energy: 0.6803820003416636
Energy: 0.6172980193516527
Energy: 0.617622103158431
Energy: 0.5922329945017539
Energy: 0.581107019988315
Energy: 0.5922329945017539
Energy: 0.5839821982837935
Energy: 0.6157057727903877
Energy: 0.592254198299135
Energy: 0.6157057727903877
Energy: 0.5798381252050295
Energy: 0.5921790829962966
Energy: 0.5834496037419523
Energy: 0.592179082995689
Energy: 0.5831248589687903
Energy: 0.6161648717958385
Energy: 0.5906033170360051
Energy: 0.6161648717958385
Energy: 0.5830039580178396
Energy: 0.6159717561108551
Energy: 0.6026990454191711
Energy: 0.6159717561102475
Energy: 0.5924180094170803
Energy: 0.6149047875060946
Energy: 0.5880136655664909
Energy: 0.6149047875060946
Energy: 0.5876011162532386
Energy: 0.6181008999617082
Energy: 0.5931879871972465
Energy: 0.6181008999611006
Energy: 0.6187268298212065
Energy: 0.591765638148548
Energy: 0.5938173405788691
Energy: 0.591765638148548
Energy: 0.5919101779659851
Energy: 0.5930064634486893
Energy: 0.603413531428117
Energy: 0.5930064634486893
Energy: 0.7307557350329332
Energy: 0.5814079725688565
Energy: 0.58794246305431
Energy: 0.5814079725694642
Energy: 0.5832383352861029
Energy: 0.5880642961163345
Energy: 0.7028836268436498
Energy: 0.5880642961163345
Energy: 0.6338112847373081
Energy: 0.5885420188194911
Energy: 0.5920642324382015
Energy: 0.5885420188207064
Energy: 0.586224431598373
Energy: 0.5919331970923405
Energy: 0.7572093303655747
Energy: 0.5919331970923405
Energy: 0.6691822762397241
Energy: 0.6172953852989637
Energy: 0.5787593228533937
Energy: 0.6172953852989637
Energy: 0.5834354435821744
Energy: 0.6449957662788958
Energy: 0.5847556127566526
Energy: 0.6449957662782881
Energy: 0.5928047986749827
Energy: 0.6129603938866068
Energy: 0.5870460018913347
Energy: 0.6129603938866068
Energy: 0.5944543876593219
Energy: 0.6159417146843451
Energy: 0.5830553799797287
Energy: 0.6159417146843451
Energy: 0.5894260128545961
Energy: 0.592675019579714
Energy: 0.5965875055484411
Energy: 0.5926750195803216
Energy: 0.5917167604098553
Energy: 0.6176173696359326
Energy: 0.5905227382799291
Energy: 0.6176173696365402
Energy: 0.5971269122035602
Energy: 0.5924435376902945
Energy: 0.5890767827607536
Energy: 0.5924435376915098
Energy: 0.5966515909891014
Energy: 0.5927070399545276
Energy: 0.5859798329568687
Energy: 0.5927070399545276
Energy: 0.5832481564799888
Energy: 0.5785529717354274
Energy: 0.6119027905567815
Energy: 0.578552971736035
Energy: 0.7093886489698314
Energy: 0.6153335439622136
Energy: 0.5833541564641018
Energy: 0.615333543963429
Energy: 0.5923084656720615
Energy: 0.586066274535509
Energy: 0.6939846565363503
Energy: 0.5860662745349012
Energy: 0.7619517890342034
Energy: 0.5919432360763853
Energy: 0.5861361261185091
Energy: 0.5919432360769928
Energy: 0.581271334031622
Energy: 0.5845517648535289
Energy: 0.7406917826616221
Energy: 0.5845517648535289
Energy: 0.6748334580848959
Energy: 0.6166576349123507
Energy: 0.5819701929890179
Energy: 0.6166576349129308
Energy: 0.5849943824107174
Energy: 0.6143593399368668
Energy: 0.5978778997841873
Energy: 0.6143593399362591

minimum gb energy = 0.5785529717354274 eV
minimum distance =  2.53227251654351 Angstroms
sigma value = 1


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

Energy: 0.6330366661389738
Energy: 0.5706417951678119
Energy: 0.7048465956397416
Energy: 0.5706417951678119
Energy: 0.6042407806546464
Energy: 0.5536341219552812
Energy: 0.5668677041861407
Energy: 0.5536341219552812
Energy: 0.5581941403735334
Energy: 0.5663569886002164
Energy: 0.6557514028533559
Energy: 0.5663569886002164
Energy: 0.6062450981713813
Energy: 0.5971669291505043
Energy: 0.56645199944014
Energy: 0.5971669291496641
Energy: 0.5574083033665652
Energy: 0.5688782605725436
Energy: 0.7021800491117656
Energy: 0.5688782605717034
Energy: 0.5568835345353147
Energy: 0.5966115171184148
Energy: 0.5663878609880616
Energy: 0.5966115171184148
Energy: 0.5578102035867074
Energy: 0.6156951263638868
Energy: 0.6389724410437503
Energy: 0.6156951263630468
Energy: 0.5571922281591483
Energy: 0.5661214029776431
Energy: 0.5803005070319289
Energy: 0.5661214029784832
Energy: 0.5659385036903172
Energy: 0.5708901551800601
Energy: 0.5789070306939279
Energy: 0.5708901551800601
Energy: 0.5658932755292276
Energy: 0.6641722478244414
Energy: 0.6048294955015766
Energy: 0.6641722478244414
Energy: 0.5572888919510396
Energy: 0.5666195104927616
Energy: 0.563856275600552
Energy: 0.5666195104927616
Energy: 0.5568620106591411
Energy: 0.6085329833905551
Energy: 0.6582979811875306
Energy: 0.6085329833905551
Energy: 0.5537794886946301
Energy: 0.5963747174363889
Energy: 0.5670014963462624
Energy: 0.5963747174363889
Energy: 0.5539126901968994
Energy: 0.5706621635444913
Energy: 0.700654930382507
Energy: 0.5706621635453315
Energy: 0.609373386619545
Energy: 0.5967538030033072
Energy: 0.5671531507215193
Energy: 0.5967538030024672
Energy: 0.5582258233653385
Energy: 0.5664081151616641
Energy: 0.5668957756754227
Energy: 0.5664081151616641
Energy: 0.6456480427293373
Energy: 0.5540181768820603
Energy: 0.565938331427304
Energy: 0.5540181768829004
Energy: 0.6330366661381336
Energy: 0.5706417951678119
Energy: 0.7752722535643952
Energy: 0.5706417951686521
Energy: 0.6042407806546464
Energy: 0.5536341219552812
Energy: 0.5668677041853196
Energy: 0.5536341219552812
Energy: 0.5581941403726931
Energy: 0.5663569886002164
Energy: 0.6557509391536105
Energy: 0.5663569886002164
Energy: 0.6062450983326196
Energy: 0.5971669291496641
Energy: 0.56645199944014
Energy: 0.5971669291505043
Energy: 0.5574083033674053
Energy: 0.5688782605717034
Energy: 0.7021800491100851
Energy: 0.5688782605717034
Energy: 0.5568835345353147
Energy: 0.5966115171175747
Energy: 0.5663878609872213
Energy: 0.5966115171184148
Energy: 0.5578102035867074
Energy: 0.6156951263630468
Energy: 0.5646411480095674
Energy: 0.6156951263630468

minimum gb energy = 0.5536341219552812 eV
minimum distance =  2.54386252459026 Angstroms
sigma value = 17


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

Energy: 0.5628321839297883
Energy: 0.5629428072178396
Energy: 0.6947226993066135
Energy: 0.5629428072178396
Energy: 0.6006811222007338
Energy: 0.5608821031526542
Energy: 0.556155153082142
Energy: 0.5608821031531734
Energy: 0.5543812615089274
Energy: 0.5569706969725396
Energy: 0.5990879604720156
Energy: 0.5569706969730589
Energy: 0.6492217547891959
Energy: 0.549916037353937
Energy: 0.5532711693451138
Energy: 0.549916037353937
Energy: 0.5546733131759184
Energy: 0.5914450628742025
Energy: 0.7004765575181647
Energy: 0.5914450628747218
Energy: 0.5673737606168809
Energy: 0.6522758790037617
Energy: 0.5596704609392357
Energy: 0.6522758790037617
Energy: 0.5669526133108024
Energy: 0.5825544381209703
Energy: 0.5595623498022452
Energy: 0.5825544381220088
Energy: 0.5492284298254558
Energy: 0.653745539997313
Energy: 0.5535899566430957
Energy: 0.6537455399967936
Energy: 0.5642200197655074
Energy: 0.6576101587618923
Energy: 0.5680320611341008
Energy: 0.6576101587624116
Energy: 0.5565543992675334
Energy: 0.5820555671215184
Energy: 0.5607254157579704
Energy: 0.5820555671215184
Energy: 0.5571968762850689
Energy: 0.6480410956644612
Energy: 0.5575628150432504
Energy: 0.6480410956639419
Energy: 0.5508668127627357
Energy: 0.5813350493364992
Energy: 0.5471714776153845
Energy: 0.5813350493370183
Energy: 0.5505477479562355
Energy: 0.652933374393099
Energy: 0.5557904317056352
Energy: 0.6529333743925797
Energy: 0.5621467397926896
Energy: 0.5897953691654709
Energy: 0.563029020142262
Energy: 0.5897953691649515
Energy: 0.5588167258692173
Energy: 0.647791146690733
Energy: 0.5684892441112754
Energy: 0.647791146690733
Energy: 0.5574738679322783
Energy: 0.5574361623691722
Energy: 0.6406806913410895
Energy: 0.5574361623696914
Energy: 0.5805224435327246
Energy: 0.6475399601870185
Energy: 0.5555983516939523
Energy: 0.6475399601870185
Energy: 0.5504191138453384
Energy: 0.563252413196429
Energy: 0.7600788646462743
Energy: 0.5632524131969484
Energy: 0.6316739232251067
Energy: 0.5835021138791229
Energy: 0.55586558460276
Energy: 0.5835021138775649
Energy: 0.5569435475840563
Energy: 0.5568362181255972
Energy: 0.7104753981106499
Energy: 0.5568362181255972
Energy: 0.5693581154321198
Energy: 0.5562906228119461
Energy: 0.5655354575971618
Energy: 0.5562906228114267
Energy: 0.565746558331218
Energy: 0.5643448331588565
Energy: 0.5699010530425972
Energy: 0.5643448331583373
Energy: 0.6073391914865276
Energy: 0.5564357136907265
Energy: 0.5580090990860052
Energy: 0.5564357136891687
Energy: 0.5562030014954265
Energy: 0.5832752388346627
Energy: 0.6432995874606361
Energy: 0.5832752388341436
Energy: 0.6836852647202264
Energy: 0.5633064226167034
Energy: 0.551500337357482
Energy: 0.5633064226172227
Energy: 0.5571823416260332
Energy: 0.5909705145762051
Energy: 0.5555805408705867
Energy: 0.5909705145756858
Energy: 0.6203064185492808
Energy: 0.5794641427447936
Energy: 0.5586229582848723
Energy: 0.5794641427447936
Energy: 0.5712624111113457
Energy: 0.6484288239036782
Energy: 0.5601410345017783
Energy: 0.6484288239026396
Energy: 0.5631226800557733
Energy: 0.5895086917811504
Energy: 0.5637856165448866
Energy: 0.589508691780631
Energy: 0.5572428406767496
Energy: 0.6532399986577556
Energy: 0.5655110683752155
Energy: 0.6532399986587942
Energy: 0.5558990531473489
Energy: 0.5892288248476965
Energy: 0.5588659622219784
Energy: 0.5892288248487351
Energy: 0.5538658138625134
Energy: 0.6468618704327815
Energy: 0.5552244171610866
Energy: 0.6468618704333008
Energy: 0.5587280969095224
Energy: 0.5823645537606289
Energy: 0.6272299328744646
Energy: 0.5823645537606289
Energy: 0.5774326215700187
Energy: 0.6566627465176341
Energy: 0.5619008969952053
Energy: 0.6566627465176341
Energy: 0.5532992909422468
Energy: 0.5636748309710818
Energy: 0.577220705627976
Energy: 0.5636748309705625
Energy: 0.5601773654855432
Energy: 0.5834966519081244
Energy: 0.5680907616192655
Energy: 0.5834966519065665
Energy: 0.5579166102615357
Energy: 0.6517032640311384
Energy: 0.5691595979295051
Energy: 0.6517032640311384
Energy: 0.5900678626297168
Energy: 0.592344341787684
Energy: 0.5577660906735841
Energy: 0.5923443417887226

minimum gb energy = 0.5471714776153845 eV
minimum distance =  2.53491207975049 Angstroms
sigma value = 89


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

Energy: 0.49261097642476714
Energy: 0.49267745348309133
Energy: 0.6777795879852021
Energy: 0.49267745348309133
Energy: 0.4928309871352237
Energy: 0.5088487963077106
Energy: 0.5031915525158394
Energy: 0.5088487963063518
Energy: 0.5014122314912823
Energy: 0.5728044893644411
Energy: 0.6433984681220571
Energy: 0.5728044893644411
Energy: 0.6319164414975784
Energy: 0.5088423240883782
Energy: 0.5033071247975244
Energy: 0.5088423240897368
Energy: 0.5013133600100128
Energy: 0.49357199790368483
Energy: 0.7377780559933912
Energy: 0.49357199790368483
Energy: 0.5013874586746558
Energy: 0.49285265633847264
Energy: 0.49254671762795393
Energy: 0.49285265633847264
Energy: 0.5016551344593797
Energy: 0.5730639553731194
Energy: 0.49283602309922764
Energy: 0.5730639553731194
Energy: 0.5058361013495101
Energy: 0.6663018412617518
Energy: 0.5031123261767858
Energy: 0.6663018412617518
Energy: 0.5014164605610151
Energy: 0.5321502746253854
Energy: 0.6290126664476369
Energy: 0.5321502746253854
Energy: 0.5088315218779216
Energy: 0.6205598029689852
Energy: 0.5012928819826235
Energy: 0.6205598029689852
Energy: 0.4926035428963555
Energy: 0.508901463495467
Energy: 0.5013552857468756
Energy: 0.508901463495467
Energy: 0.49263399181360107
Energy: 0.571249196506793
Energy: 0.5032220953015922
Energy: 0.571249196506793
Energy: 0.5013739063065408
Energy: 0.5305072402577795
Energy: 0.5043922161317161
Energy: 0.5305072402577795
Energy: 0.5014114084363764
Energy: 0.530079061116845
Energy: 0.5015297548171904
Energy: 0.530079061116845
Energy: 0.495365275164644
Energy: 0.5305293825248804
Energy: 0.5013020781269472
Energy: 0.5305293825248804

minimum gb energy = 0.49254671762795393 eV
minimum distance =  2.55347389193486 Angstroms
sigma value = 13


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

Energy: 0.5015689834188725
Energy: 0.655238325990516
Energy: 0.6403303005741486
Energy: 0.6552383259876685
Energy: 0.5277683290668086
Energy: 0.5876786203887938
Energy: 0.49128648612761144
Energy: 0.5876786203944888
Energy: 0.49270609377178126
Energy: 0.5808090743830233
Energy: 0.5653291510136622
Energy: 0.580809074267466
Energy: 0.4927738100888649
Energy: 0.5888402448249488
Energy: 0.4882108038082228
Energy: 0.5888402448408948
Energy: 0.4962332137945768
Energy: 0.5875808226039708
Energy: 0.5295781478355137
Energy: 0.5875808226051098
Energy: 0.4856384118036043
Energy: 0.505344510626257
Energy: 0.4915988470512007
Energy: 0.505344510626257
Energy: 0.49642151534358947
Energy: 0.6939587114578194
Energy: 0.6356470528313007
Energy: 0.6939587114561109
Energy: 0.48666493744237493
Energy: 0.5919394690050748
Energy: 0.4915781347341109
Energy: 0.5919394537958418
Energy: 0.4960879109597123
Energy: 0.5911662395238938
Energy: 0.577421058571182
Energy: 0.5911662395244633
Energy: 0.5753407309207454
Energy: 0.5276477295431942
Energy: 0.48829585609685006
Energy: 0.5276477295426246
Energy: 0.49802730126053174
Energy: 0.5278578187632565
Energy: 0.4918414618939875
Energy: 0.5278578187621178
Energy: 0.5957133875147403
Energy: 0.5961725909448597
Energy: 0.4926207157495747
Energy: 0.5961725909459988
Energy: 0.5083648871622738
Energy: 0.4965138369631732
Energy: 0.500283125066559
Energy: 0.49651383696203427
Energy: 0.6085131491206405
Energy: 0.5275784318036654
Energy: 0.4928364144012914
Energy: 0.5275784318030958
Energy: 0.4965792351699968
Energy: 0.49164588076917154
Energy: 0.48585285561299585
Energy: 0.4916458807697411
Energy: 0.4840529256226003
Energy: 0.527625699506938
Energy: 0.4868418501366996
Energy: 0.5276256995063685
Energy: 0.4921195565802344
Energy: 0.5143551311472375
Energy: 0.4872100268563186
Energy: 0.5143551311472375
Energy: 0.49140312009048814
Energy: 0.519768042921672
Energy: 0.48986323464837755
Energy: 0.5197680429205329
Energy: 0.492506349141477
Energy: 0.5226274682445969
Energy: 0.4898552519386776
Energy: 0.5226274682457358
Energy: 0.49248000640790796
Energy: 0.5229628791192227
Energy: 0.48982348756919003
Energy: 0.5229628791186531
Energy: 0.49103784879619905
Energy: 0.5198012362373512
Energy: 0.489881015449094
Energy: 0.5198012362373512
Energy: 0.4922274019876511
Energy: 0.5141850952824728
Energy: 0.4870336600229955
Energy: 0.5141850952830423
Energy: 0.4841732547946063
Energy: 0.5276445318612428
Energy: 0.4867881474986742
Energy: 0.5276445318589649
Energy: 0.49646215199391086
Energy: 0.4917195014536297
Energy: 0.4878931765791637
Energy: 0.49171950145419924
Energy: 0.6086874291899009
Energy: 0.5275060598833788
Energy: 0.4928479515393683
Energy: 0.5275060598839484
Energy: 0.5082216755389821
Energy: 0.4963978717705447
Energy: 0.48757454484587687
Energy: 0.49639787176940564
Energy: 0.5956770666334255
Energy: 0.5975169898820232
Energy: 0.49250843393989896
Energy: 0.5975169898820232
Energy: 0.49621098058428703
Energy: 0.527898280701482
Energy: 0.48528441497416364
Energy: 0.527898280701482
Energy: 0.5746589552424974
Energy: 0.5983299039692245
Energy: 0.4883009806580197
Energy: 0.5983299039140085
Energy: 0.49853604687694264
Energy: 0.590716797521514
Energy: 0.5444921661793243
Energy: 0.5907167975220835
Energy: 0.48664232020489784
Energy: 0.5915582116571937
Energy: 0.4915663770678626
Energy: 0.591558260797175
Energy: 0.49900721095107237
Energy: 0.6938693949196553
Energy: 0.5869382191074975
Energy: 0.6938693949185163
Energy: 0.4857670136364528
Energy: 0.5055688661065932
Energy: 0.4916659717174823
Energy: 0.5055688661065932
Energy: 0.49620748162768114
Energy: 0.5873914037347133
Energy: 0.6347140573628024
Energy: 0.5873914037347133
Energy: 0.4961687980583898
Energy: 0.5924538831117463
Energy: 0.48821463743401844
Energy: 0.5924538831100378

minimum gb energy = 0.4840529256226003 eV
minimum distance =  2.46669682783573 Angstroms
sigma value = 37


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

Energy: 0.5322870553635407
Energy: 0.5423303032453411
Energy: 0.45503665260450565
Energy: 0.5423303032443614
Energy: 0.5247385982331214
Energy: 0.5861844886247076
Energy: 0.4512079088118144
Energy: 0.5861844886247076
Energy: 0.46035860865099976
Energy: 0.6007522133799083
Energy: 0.6022237469250634
Energy: 0.6007522133799083
Energy: 0.4893597919164871
Energy: 0.461671420843957
Energy: 0.45321373549372873
Energy: 0.46167142084101764
Energy: 0.4526542835905048
Energy: 0.5864439535716577
Energy: 0.4759268746092209
Energy: 0.5864439535726376
Energy: 0.4552573401737229
Energy: 0.6522520796620425
Energy: 0.5100346910816168
Energy: 0.6522520796620425
Energy: 0.45933808564818107
Energy: 0.7154615774938381
Energy: 0.5836514785094777
Energy: 0.7154615774928582
Energy: 0.44287153551556113
Energy: 0.4616035115077273
Energy: 0.4634164295655571
Energy: 0.4616035115077273
Energy: 0.4519726219694108
Energy: 0.5866631801286062
Energy: 0.5424433479396954
Energy: 0.5866631801286062
Energy: 0.6025135661642043
Energy: 0.5966075541643976
Energy: 0.5100252596276619
Energy: 0.5966075541643976
Energy: 0.46112728419356286
Energy: 0.687188038402069
Energy: 0.49538427908015564
Energy: 0.687188038402069
Energy: 0.6077912249423398
Energy: 0.4614948637025623
Energy: 0.4533024748331939
Energy: 0.4614948637025623
Energy: 0.5082265077472199
Energy: 0.5865501581267311
Energy: 0.44962251751150967
Energy: 0.5865501581257512
Energy: 0.5981893124805719
Energy: 0.713925026319559
Energy: 0.44568913974261504
Energy: 0.713925026319559
Energy: 0.5323300797919557
Energy: 0.4840768203070128
Energy: 0.44587124364295544
Energy: 0.4840768203070128
Energy: 0.5268787588475332
Energy: 0.5870190651578393
Energy: 0.45122129197258265
Energy: 0.5870190651578393
Energy: 0.508177814496398
Energy: 0.5872301111261199
Energy: 0.4517882046218522
Energy: 0.5872301111261199
Energy: 0.49570830857455433
Energy: 0.6874725128980652
Energy: 0.45235682126357846
Energy: 0.6874725128980652
Energy: 0.4523317531576693
Energy: 0.46138876220422903
Energy: 0.45125505563963686
Energy: 0.46138876220422903
Energy: 0.45048467889044114
Energy: 0.5871751464009762
Energy: 0.5058716024102582
Energy: 0.5871751464009762

minimum gb energy = 0.44287153551556113 eV
minimum distance =  2.54305415512804 Angstroms
sigma value = 25


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

Energy: 0.4309396439689891
Energy: 0.6093190492901627
Energy: 0.5719359368075528
Energy: 0.6093190492901627
Energy: 0.4912398768535827
Energy: 0.619254607232169
Energy: 0.41231565785754365
Energy: 0.619254607232169
Energy: 0.40764362531059717
Energy: 0.40773482386089577
Energy: 0.7366225079829666
Energy: 0.40773482386089577
Energy: 0.41794034321454054
Energy: 0.6182789896338774
Energy: 0.4111002433141421
Energy: 0.6182789896338774
Energy: 0.41157604251904173
Energy: 0.6192828971775446
Energy: 0.4195840992790625
Energy: 0.6192828971775446
Energy: 0.40084204029337644
Energy: 0.6178714847789893
Energy: 0.4124061076635495
Energy: 0.6178714847782244
Energy: 0.41209379625489273
Energy: 0.5127218287868445
Energy: 0.4173475138028243
Energy: 0.5127218287868445
Energy: 0.40012076932482515
Energy: 0.5340881547250826
Energy: 0.40862973958731597
Energy: 0.5340881549690464
Energy: 0.41145044422359767
Energy: 0.6172331113187893
Energy: 0.4917259750149003
Energy: 0.6172331113180243
Energy: 0.39950223825073455
Energy: 0.5138115744563001
Energy: 0.43187177919734054
Energy: 0.5138115746260836
Energy: 0.4120453344726261
Energy: 0.40921959537708236
Energy: 0.5524427634922366
Energy: 0.40921959537708236
Energy: 0.5099548563803691
Energy: 0.6508730405814298
Energy: 0.40876051003161146
Energy: 0.6508730405814298
Energy: 0.4115453535723304
Energy: 0.6176594741141999
Energy: 0.4766859624861975
Energy: 0.6176594741149649
Energy: 0.5209204569252895
Energy: 0.629950134917903
Energy: 0.4123540558047033
Energy: 0.629950134917903
Energy: 0.41195964379483535
Energy: 0.4093167721067101
Energy: 0.39858913244742933
Energy: 0.4093167721074752
Energy: 0.4990572154764008
Energy: 0.6371192161677425
Energy: 0.41107731043596785
Energy: 0.6371192161669773
Energy: 0.41149281712009406
Energy: 0.5331862491775516
Energy: 0.4003328147221137
Energy: 0.5331862491775516
Energy: 0.4894902076216413
Energy: 0.6175670476920134
Energy: 0.41246492593537365
Energy: 0.6175670476920134
Energy: 0.43480492118103686
Energy: 0.5122195084686908
Energy: 0.3989717523378066
Energy: 0.5122195085130667
Energy: 0.5521942103792983
Energy: 0.6355735578136918
Energy: 0.4110936264874521
Energy: 0.6355735578144569
Energy: 0.4116613848339447
Energy: 0.6507442306496598
Energy: 0.4037735406604478
Energy: 0.6507442306496598
Energy: 0.4080510522467542
Energy: 0.6165686335416182
Energy: 0.41258969947359747
Energy: 0.6165686335416182
Energy: 0.41209645453870797
Energy: 0.6282386647582403
Energy: 0.5212298718744225
Energy: 0.6282386647574751
Energy: 0.40266936557423144
Energy: 0.6345773203898608
Energy: 0.41110111736805843
Energy: 0.6345773203852703
Energy: 0.4112383634651732
Energy: 0.6508334429729999
Energy: 0.4963171087041001
Energy: 0.6508334429729999
Energy: 0.39911131581915504
Energy: 0.5328282754160053
Energy: 0.4077711116771075
Energy: 0.5328282754160053

minimum gb energy = 0.39858913244742933 eV
minimum distance =  2.48409723027474 Angstroms
sigma value = 41


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

Energy: 0.5318399045777488
Energy: 0.5566156082871743
Energy: 0.5355442786063248
Energy: 0.556615608286547
Energy: 0.5047466037849669
Energy: 0.5490329475437198
Energy: 0.3721553204277351
Energy: 0.5490329475437198
Energy: 0.3820710693271126
Energy: 0.5475263671115024
Energy: 0.6965569856505296
Energy: 0.5475263671108752
Energy: 0.4441022422166701
Energy: 0.54754844646053
Energy: 0.37211006002003716
Energy: 0.5475484464592756
Energy: 0.3691975620853755
Energy: 0.5628079662969085
Energy: 0.38577021695221525
Energy: 0.5628079662962814
Energy: 0.38295858922962256
Energy: 0.5460319512830742
Energy: 0.37203043214196324
Energy: 0.5460319512830742
Energy: 0.3715686953245547
Energy: 0.5468635322004567
Energy: 0.3834935128772085
Energy: 0.5468635322004567
Energy: 0.36544745297153014
Energy: 0.4679310097152432
Energy: 0.369860035194839
Energy: 0.4679310097152432
Energy: 0.37379031304232446
Energy: 0.5786391565001897
Energy: 0.53853640000994
Energy: 0.578639156498935
Energy: 0.36934490489951854
Energy: 0.3730005971342668
Energy: 0.38256933162308043
Energy: 0.3730005971461847
Energy: 0.37162453358156966
Energy: 0.5450416124311059
Energy: 0.5048901954318795
Energy: 0.5450416124317332
Energy: 0.3649459533936658
Energy: 0.5543792897298361
Energy: 0.5323799906703867
Energy: 0.5543792897298361
Energy: 0.3737612548433772
Energy: 0.5780335456035313
Energy: 0.5052537401465634
Energy: 0.5780335456029041
Energy: 0.4593294090980775
Energy: 0.4956363254491491
Energy: 0.3826212041215993
Energy: 0.4956363254497763
Energy: 0.3715149067773306
Energy: 0.5449701134574452
Energy: 0.49016316452590936
Energy: 0.5449701134580723
Energy: 0.46669154219298004
Energy: 0.5778432151191006
Energy: 0.3698169433367611
Energy: 0.5778432151191006
Energy: 0.37372486704164676
Energy: 0.5778976219930615
Energy: 0.42705342348634584
Energy: 0.5778976219924343
Energy: 0.46081862027516307
Energy: 0.49630923591775666
Energy: 0.3720705394666842
Energy: 0.49630923591838394
Energy: 0.37155201729117493
Energy: 0.46780501064181673
Energy: 0.3655686166751791
Energy: 0.46780501064181673
Energy: 0.44979125780232115
Energy: 0.5779315953802059
Energy: 0.3736389274298825
Energy: 0.5779315953808332
Energy: 0.38431018014782553
Energy: 0.5774560769970339
Energy: 0.36665685211592514
Energy: 0.5774560769982884
Energy: 0.5887408134254991
Energy: 0.6067690511481532
Energy: 0.37212727965583386
Energy: 0.6067690511487804
Energy: 0.5337086969027552
Energy: 0.5549601513176478
Energy: 0.36511746510358817
Energy: 0.5549601513170205
Energy: 0.5024973814598802
Energy: 0.5773288162718216
Energy: 0.3738305335051435
Energy: 0.5773288162711945
Energy: 0.38429260350781225
Energy: 0.5777261151786139
Energy: 0.36815057232719506
Energy: 0.5777261151779867
Energy: 0.48817746937130135
Energy: 0.6057150259626788
Energy: 0.372070388384352
Energy: 0.6057150259620515
Energy: 0.37152964054531024
Energy: 0.5759951943785019
Energy: 0.467881676410374
Energy: 0.5759951943778746
Energy: 0.37364018301059554
Energy: 0.5764971502147781
Energy: 0.3763332173765415
Energy: 0.5764971502147781
Energy: 0.37384379076186136
Energy: 0.5993833119253034
Energy: 0.46416083108494127
Energy: 0.5993833119253034
Energy: 0.3696761137892585
Energy: 0.5951263733022636
Energy: 0.3743283301392251
Energy: 0.5951263733028909
Energy: 0.37186581388555084
Energy: 0.5760706502245025
Energy: 0.4514656202296167
Energy: 0.5760706502238753
Energy: 0.36825590374323514
Energy: 0.5762644918165689
Energy: 0.3869020773567995
Energy: 0.5762644918165689

minimum gb energy = 0.3649459533936658 eV
minimum distance =  2.47727801074311 Angstroms
sigma value = 15


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

Energy: 0.5299830733224974
Energy: 0.5517834372358154
Energy: 0.5118622168288363
Energy: 0.5517834372358154
Energy: 0.5753945027897515
Energy: 0.5235697397912303
Energy: 0.3497956077945555
Energy: 0.5235697397906991
Energy: 0.39540056003759216
Energy: 0.5192183503853063
Energy: 0.42750605186483903
Energy: 0.5192183503831809
Energy: 0.49990630592669133
Energy: 0.5113276687402446
Energy: 0.3497837452823412
Energy: 0.5113276690058365
Energy: 0.3822629204832122
Energy: 0.5494139742892388
Energy: 0.355029592911467
Energy: 0.5494139742881761
Energy: 0.44864251328774085
Energy: 0.5239073070628041
Energy: 0.3499732098443894
Energy: 0.5239073070617414
Energy: 0.3526853543964584
Energy: 0.5016275248539275
Energy: 0.38183629108121686
Energy: 0.5016275248581785
Energy: 0.3819769444320633
Energy: 0.5039779645710653
Energy: 0.3535003115184567
Energy: 0.5039779645726594
Energy: 0.3509281917267966
Energy: 0.5471535404131175
Energy: 0.4743488524521759
Energy: 0.5471535404136488
Energy: 0.3651360435002234
Energy: 0.5401718604570412
Energy: 0.3825222544879842
Energy: 0.5401718604570412
Energy: 0.34948473399755847
Energy: 0.5199389738799451
Energy: 0.5009716301741169
Energy: 0.5199389738794138
Energy: 0.34634350577085526
Energy: 0.5126889591399365
Energy: 0.3956030108510023
Energy: 0.5126889591404677
Energy: 0.3509252914162164
Energy: 0.5518231384916473
Energy: 0.5805613814626291
Energy: 0.5518231384916473
Energy: 0.3515757522546622
Energy: 0.5540727831596935
Energy: 0.48510509325195755
Energy: 0.5540727831596935
Energy: 0.34941303422182973
Energy: 0.5221214805939851
Energy: 0.541055746966027
Energy: 0.5221214805939851
Energy: 0.42061147775208335
Energy: 0.5121992169569448
Energy: 0.39563231103420504
Energy: 0.5121992169564136
Energy: 0.3508439866531659
Energy: 0.5421368791722434
Energy: 0.5017007336857782
Energy: 0.5421368791711807
Energy: 0.4331812821522417
Energy: 0.559662943612383
Energy: 0.38265810945034595
Energy: 0.5596629436102575
Energy: 0.35040482866862366
Energy: 0.5222473992363663
Energy: 0.4498035893592892
Energy: 0.5222473992368977
Energy: 0.4464213446363028
Energy: 0.5218567047361826
Energy: 0.35339525120632276
Energy: 0.5218567047367141
Energy: 0.3549251518956993
Energy: 0.5333836840480057
Energy: 0.38290948114481643
Energy: 0.5333836840458803
Energy: 0.45919214780082634
Energy: 0.5585219498998384
Energy: 0.35265090957815043
Energy: 0.5585219498998384
Energy: 0.3836296328021523
Energy: 0.5319906053290802
Energy: 0.3643944728828415
Energy: 0.5319906053290802
Energy: 0.5613669032811697
Energy: 0.5218777286847179
Energy: 0.349787577730466
Energy: 0.5218777286841866
Energy: 0.3968006117222065
Energy: 0.5434602135259144
Energy: 0.3697880677919555
Energy: 0.5434602135216635
Energy: 0.58152291254646
Energy: 0.5531687505658011
Energy: 0.35251541370636785
Energy: 0.553168750568458
Energy: 0.5310430122701255
Energy: 0.5485536133555119
Energy: 0.3382675417169328
Energy: 0.5485536133549805
Energy: 0.650577298272097
Energy: 0.522168091540452
Energy: 0.3497065936644696
Energy: 0.5221680915388578
Energy: 0.39684252999959824
Energy: 0.5595021332507484
Energy: 0.3448509073147271
Energy: 0.5595021332491542
Energy: 0.4975717470985162
Energy: 0.5415982369032875
Energy: 0.3526543148375277
Energy: 0.5415982369038187
Energy: 0.3837004651259059
Energy: 0.5471225862079498
Energy: 0.42802252234440324
Energy: 0.5471225862090126
Energy: 0.4924178364356052
Energy: 0.5215746823035103
Energy: 0.3514305481994636
Energy: 0.5215746823013848
Energy: 0.3549238582620807
Energy: 0.5594996922618067
Energy: 0.4563530539217056
Energy: 0.5594996922607439
Energy: 0.3784150747572394
Energy: 0.5329699755241043
Energy: 0.356974614381053
Energy: 0.532969975525167
Energy: 0.3476091664953788
Energy: 0.5471536153436333
Energy: 0.45575532417002357
Energy: 0.5471536153436333
Energy: 0.37623748325092865
Energy: 0.5310308328771091
Energy: 0.385290522986563
Energy: 0.5310308328771091
Energy: 0.35080861497277477
Energy: 0.5597707868560228
Energy: 0.5576930189045891
Energy: 0.5597707868565542

minimum gb energy = 0.3382675417169328 eV
minimum distance =  2.56175200376769 Angstroms
sigma value = 85


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

Energy: 0.49552162516423914
Energy: 0.5177684770306996
Energy: 0.42156659954989667
Energy: 0.5177684770297779
Energy: 0.5949919754982753
Energy: 0.48299052100193635
Energy: 0.3192643756492797
Energy: 0.4829905208766442
Energy: 0.47649242997790553
Energy: 0.474474184720186
Energy: 0.380092141310089
Energy: 0.4744741847151165
Energy: 0.5251596203994947
Energy: 0.4792453233731993
Energy: 0.31928891362329936
Energy: 0.47924532336352116
Energy: 0.36357753490529565
Energy: 0.4581310687698211
Energy: 0.33459889578962115
Energy: 0.45813106876843857
Energy: 0.460081052304429
Energy: 0.4734834633257726
Energy: 0.3189991020383393
Energy: 0.4734834637044353
Energy: 0.3472517168670338
Energy: 0.4645547288116526
Energy: 0.35918467783778985
Energy: 0.4645547288084475
Energy: 0.41614068386195363
Energy: 0.4788535925335452
Energy: 0.32318886305480565
Energy: 0.47885359253400606
Energy: 0.3223465550085196
Energy: 0.4489001129082737
Energy: 0.40280979095414654
Energy: 0.44890011293774806
Energy: 0.3589985687628236
Energy: 0.46077477175538506
Energy: 0.34786013848164093
Energy: 0.4607747664812981
Energy: 0.32021192143627925
Energy: 0.48162301466912893
Energy: 0.4605044461326048
Energy: 0.48162301508095284
Energy: 0.32883582437618825
Energy: 0.4943269573914634
Energy: 0.36396857693093243
Energy: 0.4943269573919242
Energy: 0.31889567712867056
Energy: 0.4486841302139717
Energy: 0.5639603337529095
Energy: 0.448684130318085
Energy: 0.3079671262307436
Energy: 0.4731417009218536
Energy: 0.4768294349341938
Energy: 0.4731417008380182
Energy: 0.3203523604962007
Energy: 0.4790641445222065
Energy: 0.5956848503488154
Energy: 0.4790641445489156
Energy: 0.30476680255148886
Energy: 0.5062980026056959
Energy: 0.45642893122062006
Energy: 0.506298002605235
Energy: 0.318849910913647
Energy: 0.44861674828665127
Energy: 0.5649237131952246
Energy: 0.4486167483299515
Energy: 0.36861450586322825
Energy: 0.47288665882054176
Energy: 0.47688607016965867
Energy: 0.47288665897991694
Energy: 0.3201297667553305
Energy: 0.47909924428164896
Energy: 0.5261769443235791
Energy: 0.4790992442784438
Energy: 0.37984590531436907
Energy: 0.5160287258180924
Energy: 0.36398244507090194
Energy: 0.5160287258180924
Energy: 0.31936982946047615
Energy: 0.4238735559042748
Energy: 0.4945667499315871
Energy: 0.4238735559042748
Energy: 0.3994090307309402
Energy: 0.4795189659345221
Energy: 0.3476583548968916
Energy: 0.4795189659345221
Energy: 0.3231656894888078
Energy: 0.4788836455032827
Energy: 0.4165877985048603
Energy: 0.4788836455217173
Energy: 0.4021467607130966
Energy: 0.5130889810808472
Energy: 0.323010735111605
Energy: 0.5130889810808472
Energy: 0.3488184069803956
Energy: 0.42650643072684447
Energy: 0.35946042547022883
Energy: 0.42650643072684447
Energy: 0.5020986092659807
Energy: 0.4798153070947438
Energy: 0.31921357175455684
Energy: 0.4798153070131918
Energy: 0.36507432455480937
Energy: 0.49127573443643613
Energy: 0.32731539291917733
Energy: 0.4912757344373579
Energy: 0.49538392744237447
Energy: 0.5132059625390232
Energy: 0.31927232299627023
Energy: 0.5132059625390232
Energy: 0.477637635348455
Energy: 0.4764629657715402
Energy: 0.3307507399874277
Energy: 0.4764629657715402
Energy: 0.6433820087448024
Energy: 0.47901958156131036
Energy: 0.31971884412180274
Energy: 0.4790195823089576
Energy: 0.4967538692277141
Energy: 0.5116497040562924
Energy: 0.3064948439584184
Energy: 0.5116497040535273
Energy: 0.5869635917936313
Energy: 0.5146352944297765
Energy: 0.31927791136124045
Energy: 0.5146352944297765
Energy: 0.4777287003707896
Energy: 0.47377926019927696
Energy: 0.30746104071693175
Energy: 0.47377926019927696
Energy: 0.5773158407997161
Energy: 0.47921646673478174
Energy: 0.3197102004225663
Energy: 0.47921646673432094
Energy: 0.3650982515123818
Energy: 0.5095221905575252
Energy: 0.3788700121669232
Energy: 0.5095221905575252
Energy: 0.4372836345713721
Energy: 0.5053295009097541
Energy: 0.3203926199405692
Energy: 0.5053295014003439
Energy: 0.34860617620387563
Energy: 0.4792077480088579
Energy: 0.39932133774579887
Energy: 0.47920774800747534
Energy: 0.43098954606670337
Energy: 0.4787012504831161
Energy: 0.3223492501397539
Energy: 0.47870125048403783
Energy: 0.32317848053085885
Energy: 0.5098344452231957
Energy: 0.40227434752588764
Energy: 0.5098344452231957
Energy: 0.3308863688111071
Energy: 0.4987416124214037
Energy: 0.3425795260034003
Energy: 0.4987416124214037
Energy: 0.3190043510280886
Energy: 0.4790377041327001
Energy: 0.5022658179611718
Energy: 0.47903770413131747
Energy: 0.32689132848823915
Energy: 0.48981925736743587
Energy: 0.36644399071963335
Energy: 0.4898192573720444
Energy: 0.3202196227938657
Energy: 0.5097812669249547
Energy: 0.49528994335482845
Energy: 0.5097812669258764

minimum gb energy = 0.30476680255148886 eV
minimum distance =  2.55922730459319 Angstroms
sigma value = 113


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

Energy: 0.011735057914662294
Energy: 0.013072716909374754
Energy: 0.39307930364109933
Energy: 0.013072716909020465
Energy: 0.39261317727716566
Energy: 0.1751820240875618
Energy: 0.17555413533502393
Energy: 0.1751820240875618
Energy: 0.011735057914662294
Energy: 0.013072716909374754
Energy: 0.3930923428829058
Energy: 0.013072716909020465
Energy: 0.39261317727716566
Energy: 0.1751820240879161
Energy: 0.17555297970964995
Energy: 0.1751820240875618
Energy: 0.011735057914662294
Energy: 0.013072716909374754
Energy: 0.3930900734768083
Energy: 0.013072716909374754
Energy: 0.39261317727681133
Energy: 0.1751820240875618
Energy: 0.1755523122839499
Energy: 0.1751820240875618

minimum gb energy = 0.011735057914662294 eV
minimum distance =  2.83530824443928 Angstroms
sigma value = 1