Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_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=3.360264280667934
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: 0.010384127834706228
Energy: 0.01086876208453533
Energy: 0.7158848620642205
Energy: 0.01086876208453533
Energy: 0.01086876208453533
Energy: 0.5098374558335634
Energy: 0.01086876208453533
Energy: 0.5098374558340645
Energy: 0.7158848620642205
Energy: 0.01086876208453533
Energy: 0.010384127834706228
Energy: 0.01086876208453533
Energy: 0.01086876208453533
Energy: 0.5098374558340645
Energy: 0.01086876208453533
Energy: 0.5098374558340645

minimum gb energy = 0.010384127834706228 eV
minimum distance =  2.7079058937107 Angstroms
sigma value = 1


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

Energy: 0.5704323729838038
Energy: 0.5617970382236679
Energy: 0.6005479000083959
Energy: 0.5617970382230602
Energy: 0.5592869683247443
Energy: 0.5699760785184209
Energy: 0.5406197392981893
Energy: 0.5699760785190287
Energy: 0.5398580675530672
Energy: 0.5539345966084606
Energy: 0.5540119927414653
Energy: 0.5539345966084606
Energy: 0.5431433797746467
Energy: 0.5730326332215913
Energy: 0.54445269831831
Energy: 0.5730326332215913
Energy: 0.5446240496366268
Energy: 0.5682854034341077
Energy: 0.5569067485659377
Energy: 0.5682854034335275
Energy: 0.5389860873800594
Energy: 0.6250274162017022
Energy: 0.5367662163909936
Energy: 0.6250274162010945
Energy: 0.5608034248555804
Energy: 0.5523568185661656
Energy: 0.5394130233874811
Energy: 0.5523568185661656
Energy: 0.5242232984474774
Energy: 0.5659114649366036
Energy: 0.5375421701221402
Energy: 0.5659114649366036
Energy: 0.5440684944119145
Energy: 0.5504566597166037
Energy: 0.5423946447897964
Energy: 0.5504566597184266
Energy: 0.5430402406858325
Energy: 0.5532237169548635
Energy: 0.5247959366010884
Energy: 0.5532237169554711
Energy: 0.5424883037196399
Energy: 0.5680342030362621
Energy: 0.5441786745848094
Energy: 0.5680342030362621
Energy: 0.571978568169573
Energy: 0.5657145087335733
Energy: 0.5468492463577319
Energy: 0.5657145087335733
Energy: 0.5394575498495141
Energy: 0.5542177057633556
Energy: 0.5612163993332372
Energy: 0.5542177057633556
Energy: 0.5519300556020204
Energy: 0.5618786519318117
Energy: 0.545537850650389
Energy: 0.5618786519324194
Energy: 0.5515396228004789
Energy: 0.5671230811465302
Energy: 0.5483677826654579
Energy: 0.5671230811471378
Energy: 0.555696353496955
Energy: 0.5618938789465844
Energy: 0.5520027508743569
Energy: 0.5618938789459768
Energy: 0.5540967037419451
Energy: 0.5538551852930149
Energy: 0.5303297899030075
Energy: 0.5538551852924074
Energy: 0.5405709089675388
Energy: 0.5623811406060157
Energy: 0.5727010148700863
Energy: 0.5623811406054081
Energy: 0.577635844056537
Energy: 0.5642140090983665
Energy: 0.5464030907406353
Energy: 0.5642140090989742
Energy: 0.5513062986344827
Energy: 0.5502204843319017
Energy: 0.5450682109154552
Energy: 0.5502204843355477
Energy: 0.5529176138241099
Energy: 0.5538236366761446
Energy: 0.5294067943643606
Energy: 0.5538236366761446
Energy: 0.5444963906735136
Energy: 0.6360539223510727
Energy: 0.5519931652574253
Energy: 0.6360539223510727
Energy: 0.5521851215049234
Energy: 0.5656857638849692
Energy: 0.5340067900014926
Energy: 0.5656857638843616
Energy: 0.5491349543235048
Energy: 0.5535467597723236
Energy: 0.5390457214457064
Energy: 0.5535467597723236
Energy: 0.5393502859127279
Energy: 0.6279649996083331
Energy: 0.5612844827373283
Energy: 0.6279649996089408
Energy: 0.5468819993524795
Energy: 0.5657958415291757
Energy: 0.5453666906289873
Energy: 0.5657958415291757
Energy: 0.5567426281252564
Energy: 0.6220659949213857
Energy: 0.5440729675836513
Energy: 0.6220659949213857
Energy: 0.5360261237624856
Energy: 0.5521681623904278
Energy: 0.5596774878412544
Energy: 0.5521681623904278
Energy: 0.5589426014050536
Energy: 0.5676809632372328
Energy: 0.5511355640043887
Energy: 0.5676809632372328
Energy: 0.5814501160214351
Energy: 0.5624526717402035
Energy: 0.5760853826428654
Energy: 0.5624526717408113
Energy: 0.5545479626519648
Energy: 0.5605607317350081
Energy: 0.5394316308754433
Energy: 0.5605607317350081
Energy: 0.5444438948465823
Energy: 0.5565475221014367
Energy: 0.5519853553746801
Energy: 0.5565475221014367
Energy: 0.5446811682046712
Energy: 0.5755868893169207
Energy: 0.546068827781569
Energy: 0.5755868893163131

minimum gb energy = 0.5242232984474774 eV
minimum distance =  2.57805759633954 Angstroms
sigma value = 1


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

Energy: 0.5947299969163723
Energy: 0.6040255989768196
Energy: 0.6100432953723298
Energy: 0.6040255989761268
Energy: 0.5746414170488883
Energy: 0.5948019168596526
Energy: 0.5581092145599651
Energy: 0.5948019168589597
Energy: 0.5696213488022898
Energy: 0.6069138168934621
Energy: 0.5690781192994224
Energy: 0.6069138168934621
Energy: 0.5600879597040204
Energy: 0.6035666862556902
Energy: 0.5609198407677172
Energy: 0.6035666862556902
Energy: 0.5597949831474871
Energy: 0.5898850058970454
Energy: 0.578680024072648
Energy: 0.5898850058963525
Energy: 0.6016014971599327
Energy: 0.5901170967295294
Energy: 0.5623216743483159
Energy: 0.5901170967288366
Energy: 0.5747764864331989
Energy: 0.6345728718008204
Energy: 0.5701756254500262
Energy: 0.6345728718015131
Energy: 0.5456637347026851
Energy: 0.604933670148471
Energy: 0.5620786718819044
Energy: 0.604933670148471
Energy: 0.5597895171736256
Energy: 0.6960119465994524
Energy: 0.5475193421924415
Energy: 0.6960119465987595
Energy: 0.5713023250995294
Energy: 0.6048694858248064
Energy: 0.5785642758827827
Energy: 0.6048694858248064
Energy: 0.5745524998402948
Energy: 0.5859172355442752
Energy: 0.55822833468762
Energy: 0.5859172355435822
Energy: 0.5524759295330426
Energy: 0.5963028307781091
Energy: 0.5692482909833483
Energy: 0.5963028307774161
Energy: 0.5804125231468513
Energy: 0.5875346017878793
Energy: 0.576346230253888
Energy: 0.5875346017878793
Energy: 0.5802598455391368
Energy: 0.5875319778463091
Energy: 0.5834270023643089
Energy: 0.5875319778470021
Energy: 0.552587339876738
Energy: 0.5963173340867449
Energy: 0.5713670284335206
Energy: 0.596317334086052
Energy: 0.5745875772963246
Energy: 0.5859235567439811
Energy: 0.5697867858072291
Energy: 0.5859235567432881
Energy: 0.5694489251813938
Energy: 0.6048873937368758
Energy: 0.605732875267442
Energy: 0.6048873937375686
Energy: 0.5596798511785488
Energy: 0.6732206880281227
Energy: 0.5476203381115796
Energy: 0.6732206881305987
Energy: 0.5456569014597263
Energy: 0.6065957628019616
Energy: 0.564154777285341
Energy: 0.6065957628019616
Energy: 0.5745829706134286
Energy: 0.6355203312538021
Energy: 0.5581084163045481
Energy: 0.6355203312538021
Energy: 0.6009048572582452
Energy: 0.5898064502215595
Energy: 0.5716696305033387
Energy: 0.5898064502215595
Energy: 0.5596708678487922
Energy: 0.5898752105784562
Energy: 0.5644551969526285
Energy: 0.5898752105784562
Energy: 0.5599347532925971
Energy: 0.6035647069236267
Energy: 0.5689496992062344
Energy: 0.6035647069250123
Energy: 0.5696498078983705
Energy: 0.6067277770410588
Energy: 0.5712901502836699
Energy: 0.6067277770417518
Energy: 0.5746965665419206
Energy: 0.5949576802615829
Energy: 0.558066657026413
Energy: 0.5949576802615829
Energy: 0.5947299969170653
Energy: 0.6040255989768196
Energy: 0.6603289478476166
Energy: 0.6040255989761268
Energy: 0.5746414170488883
Energy: 0.5948019168596526
Energy: 0.5581092145599651
Energy: 0.5948019168596526
Energy: 0.5696213488022898
Energy: 0.6069138168941549
Energy: 0.5690781192994224
Energy: 0.6069138168934621
Energy: 0.5600879597033275
Energy: 0.6035666862563832
Energy: 0.5582386996140547
Energy: 0.6035666862556902

minimum gb energy = 0.5456569014597263 eV
minimum distance =  2.52432946268295 Angstroms
sigma value = 25


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

Energy: 0.6133256867026013
Energy: 0.6264434994284825
Energy: 0.6452179044881927
Energy: 0.6264434994284825
Energy: 0.5800623447752149
Energy: 0.6276242733470359
Energy: 0.5875746694412687
Energy: 0.6276242733470359
Energy: 0.5783241458290307
Energy: 0.6525511491489134
Energy: 0.5898903025186485
Energy: 0.6525511491497189
Energy: 0.5878256762532488
Energy: 0.6439564574814282
Energy: 0.5790956788768261
Energy: 0.6439564574814282
Energy: 0.5800340242686076
Energy: 0.6282960636613124
Energy: 0.5825188041074968
Energy: 0.6282960636613124
Energy: 0.6309580956965481
Energy: 0.6536489849004435
Energy: 0.594053318816177
Energy: 0.6536489849004435
Energy: 0.5786939087061527
Energy: 0.6740837151585855
Energy: 0.5935001366942285
Energy: 0.6740837151585855
Energy: 0.6813677237806138
Energy: 0.6281434164919858
Energy: 0.5709694682933995
Energy: 0.6281434164919858
Energy: 0.5935030580908287
Energy: 0.6092132341419754
Energy: 0.5788348741975529
Energy: 0.6092132341419754
Energy: 0.613527908385975
Energy: 0.6543704392465024
Energy: 0.5759234138180043
Energy: 0.6543704392465024
Energy: 0.5793762959439038
Energy: 0.6257022026328888
Energy: 0.585631244741366
Energy: 0.6257022026328888
Energy: 0.5996061874172318
Energy: 0.6265374162453574
Energy: 0.5856827696459358
Energy: 0.6265374162461627
Energy: 0.5896166371303225
Energy: 0.6451603362323401
Energy: 0.57581020649064
Energy: 0.6451603362315347
Energy: 0.5938519918730945
Energy: 0.6405510054919858
Energy: 0.5803327451630412
Energy: 0.6405510054919858
Energy: 0.5843645637455545
Energy: 0.6287223916121959
Energy: 0.569889605620116
Energy: 0.6287223916121959
Energy: 0.5784745279602002
Energy: 0.5893302625442217
Energy: 0.5809732485735591
Energy: 0.5893302625434163
Energy: 0.5696179699562677
Energy: 0.6525156048217651
Energy: 0.5671991954125065
Energy: 0.6525156048209597
Energy: 0.5789813618573947
Energy: 0.6151603507007192
Energy: 0.5805410796562671
Energy: 0.6151603507007192
Energy: 0.5777234413504827
Energy: 0.6449002158433802
Energy: 0.5795819034433293
Energy: 0.6449002158433802
Energy: 0.5958782985477866
Energy: 0.653329194792828
Energy: 0.5882010533963874
Energy: 0.653329194792828
Energy: 0.5913985596916866
Energy: 0.6272656484644121
Energy: 0.5857909318339711
Energy: 0.6272656484644121
Energy: 0.6118845955306406
Energy: 0.6276204303454462
Energy: 0.6389550302989176
Energy: 0.6276204303454462
Energy: 0.5787208322343032
Energy: 0.6150658672608686
Energy: 0.5861514396923034
Energy: 0.6150658672608686
Energy: 0.5790128135715144
Energy: 0.6517178693988376
Energy: 0.6137986602236264
Energy: 0.651717869399643
Energy: 0.5860037262268186
Energy: 0.6243154121062562
Energy: 0.5788744269804401
Energy: 0.6243154121070615

minimum gb energy = 0.5671991954125065 eV
minimum distance =  2.52749265269454 Angstroms
sigma value = 9


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

Energy: 0.6368902983822543
Energy: 0.6950636392740249
Energy: 0.742442011155309
Energy: 0.6950636392740249
Energy: 0.6241757132167899
Energy: 0.6613429185026124
Energy: 0.6036236698395989
Energy: 0.6613429185026124
Energy: 0.5908590509068165
Energy: 0.68356332581527
Energy: 0.6030726463730902
Energy: 0.68356332581527
Energy: 0.5972567084382293
Energy: 0.6998405710775241
Energy: 0.5960815106248126
Energy: 0.6998405710765632
Energy: 0.6325733294541004
Energy: 0.6457374976779399
Energy: 0.5982740322232734
Energy: 0.6457374976769791
Energy: 0.5973898268362621
Energy: 0.6860583047060261
Energy: 0.6099939345744375
Energy: 0.6860583047069869
Energy: 0.5964874444850872
Energy: 0.5948995215643411
Energy: 0.5954518831323558
Energy: 0.5948995215643411
Energy: 0.6296700288634388
Energy: 0.686027975802399
Energy: 0.6093547654349225
Energy: 0.686027975802399
Energy: 0.5963724522404779
Energy: 0.646949342279334
Energy: 0.6115646187764682
Energy: 0.646949342279334
Energy: 0.5963591627291077
Energy: 0.6953775947225649
Energy: 0.5974102342875344
Energy: 0.6953775947225649
Energy: 0.5964081467535185
Energy: 0.6812184737484747
Energy: 0.6094711773934854
Energy: 0.6812184737484747
Energy: 0.5973943862763541
Energy: 0.6580609935133364
Energy: 0.6096359994093291
Energy: 0.6580609935133364
Energy: 0.5990822526378841
Energy: 0.6842330688292824
Energy: 0.6181193435059786
Energy: 0.6842330688292824
Energy: 0.6236658991367728
Energy: 0.6712713112128421
Energy: 0.5970453484976047
Energy: 0.671271311213803
Energy: 0.5991168617726745
Energy: 0.6858945513765043
Energy: 0.6336981549179862
Energy: 0.685894551377465
Energy: 0.5969879991257974
Energy: 0.6953058248685423
Energy: 0.5961726521778642
Energy: 0.6953058248685423
Energy: 0.6276759193816532
Energy: 0.6721736296113774
Energy: 0.6030581009264007
Energy: 0.6721736296113774
Energy: 0.6091063353376904
Energy: 0.6957256058964705
Energy: 0.5982020702336002
Energy: 0.6957256058964705
Energy: 0.6096405391741954
Energy: 0.6452266626156049
Energy: 0.6036103292929492
Energy: 0.6452266626156049
Energy: 0.6569257968225817
Energy: 0.6839823923721906
Energy: 0.6099206580469272
Energy: 0.6839823923721906
Energy: 0.5962307396364483
Energy: 0.6631151820660804
Energy: 0.6099931714298431
Energy: 0.6631151820660804

minimum gb energy = 0.5908590509068165 eV
minimum distance =  2.57151935927142 Angstroms
sigma value = 25


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

Energy: 0.6030428957201344
Energy: 0.7081769409612604
Energy: 0.7112847152071342
Energy: 0.7081769409612604
Energy: 0.5929325199770283
Energy: 0.6023796303809289
Energy: 0.5880904777947044
Energy: 0.6023796303809289
Energy: 0.5880771729032539
Energy: 0.6583676763943872
Energy: 0.5951059652365362
Energy: 0.6583676763278754
Energy: 0.6033247261356347
Energy: 0.6586703676609573
Energy: 0.6848083510590951
Energy: 0.6586703676609573
Energy: 0.682213388105045
Energy: 0.5928111968399626
Energy: 0.6125902417693236
Energy: 0.5928111968399626
Energy: 0.5901744011248783
Energy: 0.7334438813846118
Energy: 0.5889054528602763
Energy: 0.7334438813846118
Energy: 0.5883099686708654
Energy: 0.6570775179920807
Energy: 0.5876593958017691
Energy: 0.6570775179920807
Energy: 0.6858166165819326
Energy: 0.7087523757473008
Energy: 0.6032360887043788
Energy: 0.7087523757473008
Energy: 0.5949932465209228
Energy: 0.6597376848341907
Energy: 0.5930701355469511
Energy: 0.6597376848341907
Energy: 0.6858822589643765
Energy: 0.6733564286846219
Energy: 0.589918346228431
Energy: 0.6733564286846219
Energy: 0.6081436357521237
Energy: 0.7081598108322116
Energy: 0.7741705746910648
Energy: 0.7081598108322116
Energy: 0.5882598900741505
Energy: 0.6072141945290409
Energy: 0.6910190056945235
Energy: 0.6072141945290409
Energy: 0.6779008646043758
Energy: 0.6731192849573275
Energy: 0.587588052043722
Energy: 0.6731192849573275
Energy: 0.587808610484324
Energy: 0.6630442925596726
Energy: 0.6035597285486829
Energy: 0.6630442925596726
Energy: 0.6018898778700407
Energy: 0.7077644622442557
Energy: 0.6802375750350217
Energy: 0.7077644622442557
Energy: 0.5953339376395921
Energy: 0.6730950339339402
Energy: 0.5903334630953493
Energy: 0.6730950339351284
Energy: 0.5951047096608165
Energy: 0.6257883271481187
Energy: 0.6867927465262456
Energy: 0.6257883271481187

minimum gb energy = 0.587588052043722 eV
minimum distance =  2.61544662898587 Angstroms
sigma value = 17


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

Energy: 0.6590240941987396
Energy: 0.6592421747377298
Energy: 0.7954562619051656
Energy: 0.6592421747383721
Energy: 0.6847190034187227
Energy: 0.6290016897969982
Energy: 0.6006781063634323
Energy: 0.6290016897969982
Energy: 0.6899602269529288
Energy: 0.6596530787343841
Energy: 0.604331939003571
Energy: 0.6596530787350569
Energy: 0.599926460555955
Energy: 0.6068169723066386
Energy: 0.649062990081098
Energy: 0.6068169723059655
Energy: 0.70286925529489
Energy: 0.6745890307392065
Energy: 0.6009848142192704
Energy: 0.6745890307392065
Energy: 0.6044626719137547
Energy: 0.6131949003176732
Energy: 0.6852046855465531
Energy: 0.6131949003176732
Energy: 0.6013623298794446
Energy: 0.6545952687625621
Energy: 0.6044375340299407
Energy: 0.654595268763235
Energy: 0.6839279926517714
Energy: 0.6041618718478121
Energy: 0.605547764292736
Energy: 0.6041618718505039
Energy: 0.6045738831186455
Energy: 0.6767794300334685
Energy: 0.6987557885907335
Energy: 0.6767794300334685
Energy: 0.7489610284877647
Energy: 0.6390052405155611
Energy: 0.602612667327607
Energy: 0.6390052405047941
Energy: 0.6006601444500635
Energy: 0.605398687473333
Energy: 0.6917745647617485
Energy: 0.605398687473333
Energy: 0.6051446101849786
Energy: 0.6529209182708627
Energy: 0.6056446456377766
Energy: 0.6529209182715356
Energy: 0.6854887454031234
Energy: 0.6050475467494613
Energy: 0.6044869741991686
Energy: 0.6050475467487882
Energy: 0.6023433091710223
Energy: 0.7107464482925506
Energy: 0.6888029478293182
Energy: 0.7107464482925506
Energy: 0.652039927501302
Energy: 0.654328432942832
Energy: 0.6053374915923064
Energy: 0.654328432942832
Energy: 0.702261925232528
Energy: 0.6044467556179715
Energy: 0.6993516772748665
Energy: 0.6044467556199903
Energy: 0.6043702622028879
Energy: 0.6419917636782911
Energy: 0.7355160653027385
Energy: 0.6419917636769452
Energy: 0.6843813180408036
Energy: 0.6015801554348488
Energy: 0.6043816347536771
Energy: 0.601580155416037
Energy: 0.6086100355759956
Energy: 0.6582283386171791
Energy: 0.6464011899811595
Energy: 0.6582283386171791
Energy: 0.6004795192763679
Energy: 0.7070926461165598
Energy: 0.5999730336541421
Energy: 0.7070926461172328
Energy: 0.6491417992967592
Energy: 0.6595738971871297
Energy: 0.6904855416008215
Energy: 0.6595738971878026
Energy: 0.6016186641402858
Energy: 0.6886440636546396
Energy: 0.7470757058847468
Energy: 0.6886440636553125
Energy: 0.6971457359497311
Energy: 0.660434378193481
Energy: 0.5988787611497235
Energy: 0.660434378193481
Energy: 0.6037802913125265
Energy: 0.6560221395822383
Energy: 0.6834749801007072
Energy: 0.6560221395822383
Energy: 0.6039135632155727
Energy: 0.6578045469115887
Energy: 0.6842758654848176
Energy: 0.6578045469109159
Energy: 0.6961211028099946
Energy: 0.6046059832041488
Energy: 0.5994188494423904
Energy: 0.6046059833501148
Energy: 0.6008937278473064
Energy: 0.6891224258729264
Energy: 0.7551888630557172
Energy: 0.6891224258729264
Energy: 0.6877089805859684
Energy: 0.6132534117325349
Energy: 0.6909708954035059
Energy: 0.613253411731862
Energy: 0.7285564995190446
Energy: 0.7069700240876695
Energy: 0.6011695398755411
Energy: 0.7069700240876695
Energy: 0.6046214682078935
Energy: 0.6780030191620269
Energy: 0.6846629057811081
Energy: 0.6780030191626999

minimum gb energy = 0.5988787611497235 eV
minimum distance =  2.49405027298077 Angstroms
sigma value = 53


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

Energy: 0.5520445237784739
Energy: 0.5522420913702838
Energy: 0.7687630935851578
Energy: 0.5522420913702838
Energy: 0.6844719626721214
Energy: 0.6007160171059234
Energy: 0.5964901037128768
Energy: 0.6007160171043741
Energy: 0.5527551674738159
Energy: 0.5525526937234597
Energy: 0.6652773564256479
Energy: 0.5525526937234597
Energy: 0.5525909042075944
Energy: 0.5525423668783664
Energy: 0.6455273858054297
Energy: 0.5525423668783664
Energy: 0.6774319801766763
Energy: 0.6007097941591282
Energy: 0.5965187309615408
Energy: 0.6007097941591282
Energy: 0.5520445237784739
Energy: 0.5522420913702838
Energy: 0.8052792855834011
Energy: 0.5522420913702838
Energy: 0.6844719626721214
Energy: 0.6007160171043741
Energy: 0.6866355555503961
Energy: 0.6007160171043741
Energy: 0.5527551674738159
Energy: 0.5525526937234597
Energy: 0.6652773564256479
Energy: 0.5525526937234597
Energy: 0.5525909042075944
Energy: 0.5525423668783664
Energy: 0.6865854628820284
Energy: 0.5525423668783664
Energy: 0.6774319631691662
Energy: 0.600709794157579
Energy: 0.6598205175011683
Energy: 0.600709794157579
Energy: 0.5520445237784739
Energy: 0.5522420913702838
Energy: 0.8052792855834011
Energy: 0.5522420913702838
Energy: 0.6844719626705722
Energy: 0.6007160171059234
Energy: 0.686635555548847
Energy: 0.6007160171059234
Energy: 0.5527551674738159
Energy: 0.5525526937234597
Energy: 0.6652773564256479
Energy: 0.5525526937234597

minimum gb energy = 0.5520445237784739 eV
minimum distance =  2.60571148058567 Angstroms
sigma value = 9


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

Energy: 0.6202092587228747
Energy: 0.629467001793769
Energy: 0.7834145968759445
Energy: 0.6294670017949159
Energy: 0.7508362730490191
Energy: 0.6501194640522103
Energy: 0.6337305219832768
Energy: 0.6501194640516369
Energy: 0.6277003798916215
Energy: 0.6143647966531913
Energy: 0.6379341517281262
Energy: 0.6143647966531913
Energy: 0.702747786942371
Energy: 0.7306101608314426
Energy: 0.6366816780654501
Energy: 0.7306101608314426
Energy: 0.693008168115704
Energy: 0.6413215655257585
Energy: 0.6331918735675252
Energy: 0.641321565526332
Energy: 0.6143566532982072
Energy: 0.6140673997568605
Energy: 0.7244038330196149
Energy: 0.6140673997568605
Energy: 0.8200277030392596
Energy: 0.6382397171787135
Energy: 0.6369845814707703
Energy: 0.6382397171787135
Energy: 0.6295470003038028
Energy: 0.7276325219874202
Energy: 0.6874183700474428
Energy: 0.7276325219874202
Energy: 0.629298677067258
Energy: 0.7321540942774653
Energy: 0.6214986368599731
Energy: 0.7321540942774653
Energy: 0.6273897014446952
Energy: 0.6425948985381016
Energy: 0.6282809629003917
Energy: 0.6425948985381016
Energy: 0.6349612643987548
Energy: 0.7233686146478663
Energy: 0.8258978037157819
Energy: 0.723368614647293
Energy: 0.7195915606703839
Energy: 0.7604176903891359
Energy: 0.6351307098892386
Energy: 0.7604176903897093
Energy: 0.6347711809905136
Energy: 0.6792495033710161
Energy: 0.7270883925154425
Energy: 0.6792495033710161
Energy: 0.7239380455363815
Energy: 0.7237078377340977
Energy: 0.6246853905592796
Energy: 0.7237078377340977
Energy: 0.636448319731385
Energy: 0.6884288429525772
Energy: 0.6506869932449796
Energy: 0.6884288429525772
Energy: 0.6360664056352664
Energy: 0.7322629815246138
Energy: 0.7138086271902826
Energy: 0.7322629815251871
Energy: 0.650241554622593
Energy: 0.688433456356084
Energy: 0.6368670370417711
Energy: 0.688433456356084
Energy: 0.637031523327499
Energy: 0.638340849576967
Energy: 0.7563267429300311
Energy: 0.638340849576967
Energy: 0.6984776290716602
Energy: 0.6796949523792033
Energy: 0.6159155284876137
Energy: 0.6796949523792033
Energy: 0.635901078557022
Energy: 0.649447821630237
Energy: 0.6948123162423563
Energy: 0.6494478216308104
Energy: 0.6868501475115171
Energy: 0.7322496017276574
Energy: 0.6879161337588817
Energy: 0.7322496017276574
Energy: 0.65156216585399
Energy: 0.6822329295097771
Energy: 0.6300917432534245
Energy: 0.6822329295097771
Energy: 0.6219225775718619
Energy: 0.6789095684605406
Energy: 0.6315685734486154
Energy: 0.6789095684605406
Energy: 0.7793350796567072
Energy: 0.683609800794175
Energy: 0.6300368247348472
Energy: 0.683609800794175
Energy: 0.6356058954781992
Energy: 0.7605828407145472
Energy: 0.7871710547251954
Energy: 0.7605828407145472
Energy: 0.6796975565697869
Energy: 0.6145472994127915
Energy: 0.6292608753301135
Energy: 0.6145472994127915
Energy: 0.6467279779540056
Energy: 0.6523101176599705
Energy: 0.709958568241919
Energy: 0.6523101176588235
Energy: 0.6297175309426141
Energy: 0.7222273000791278
Energy: 0.7223513001307561
Energy: 0.7222273000791278
Energy: 0.6785518664596504
Energy: 0.6143431756456297
Energy: 0.6283464966196965
Energy: 0.6143431756456297
Energy: 0.6341695629335264
Energy: 0.7903891969433744
Energy: 0.7821758365178461
Energy: 0.7903891969439479
Energy: 0.7761117781095063
Energy: 0.7234119085827925
Energy: 0.6289831039301147
Energy: 0.7234119085827925
Energy: 0.6250010756580299
Energy: 0.6429837344526935
Energy: 0.6294289151381096
Energy: 0.6429837344532668
Energy: 0.6272486031739085
Energy: 0.6817659861542463
Energy: 0.6279272562692795
Energy: 0.681765986153673
Energy: 0.6851198026866964
Energy: 0.7233054473379888
Energy: 0.713587909003163
Energy: 0.7233054473379888
Energy: 0.6448212635815279
Energy: 0.6917999125593043
Energy: 0.8247068492976439
Energy: 0.6917999125587309

minimum gb energy = 0.6140673997568605 eV
minimum distance =  2.55642453702132 Angstroms
sigma value = 73


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

Energy: 0.6637610333327216
Energy: 0.6257931780871658
Energy: 0.785986030347532
Energy: 0.6257931780871658
Energy: 0.6351509722239245
Energy: 0.6564039761871755
Energy: 0.6294241666239134
Energy: 0.6564039761871755
Energy: 0.6339809876026392
Energy: 0.6199179105396672
Energy: 0.6196879867172934
Energy: 0.6199179105396672
Energy: 0.6385591366227096
Energy: 0.6279408588445836
Energy: 0.6474653284479897
Energy: 0.6279408588454934
Energy: 0.6854638478206286
Energy: 0.6588008070321578
Energy: 0.6351276394709044
Energy: 0.6588008070321578
Energy: 0.6375830815420341
Energy: 0.6210806116467131
Energy: 0.7827658320312202
Energy: 0.6210806116458033
Energy: 0.8313967904894096
Energy: 0.7051998338402821
Energy: 0.6408603418885704
Energy: 0.7051998338402821
Energy: 0.6323452563556933
Energy: 0.6147075706471699
Energy: 0.7082650057987568
Energy: 0.6147075706471699
Energy: 0.8400014574863546
Energy: 0.6165470206036984
Energy: 0.6168456106541331
Energy: 0.6165470206027887
Energy: 0.6358468324978462
Energy: 0.6597680270297198
Energy: 0.6303925971384514
Energy: 0.6597680270306295
Energy: 0.628967383941407
Energy: 0.6166840398706125
Energy: 0.7668204497801137
Energy: 0.6166840398706125
Energy: 0.7490652933458837
Energy: 0.6268437707419096
Energy: 0.6398103274916357
Energy: 0.6268437707419096
Energy: 0.6374635140529376
Energy: 0.6495192633708052
Energy: 0.8781339483447271
Energy: 0.6495192633708052
Energy: 0.7794634706115244
Energy: 0.685922844862377
Energy: 0.6505873256340166
Energy: 0.685922844862377
Energy: 0.634121829052659
Energy: 0.6653235057943286
Energy: 0.7466131265340478
Energy: 0.6653235057943286
Energy: 0.774748006901184
Energy: 0.6159336932851032
Energy: 0.6337336098933599
Energy: 0.6159336932851032
Energy: 0.6676914732031481
Energy: 0.6796938838024024
Energy: 0.6339177607132601
Energy: 0.6796938838024024
Energy: 0.6662174829199844
Energy: 0.679394308774943
Energy: 0.6404799701686692
Energy: 0.6793943087740334
Energy: 0.7133655003759366
Energy: 0.6145294505450213
Energy: 0.6323284683495538
Energy: 0.6145294505450213
Energy: 0.6416963386685062
Energy: 0.6885809634994007
Energy: 0.8007632816418004
Energy: 0.6885809634994007
Energy: 0.7706535500189605
Energy: 0.6208773321962334
Energy: 0.6382964470562396
Energy: 0.6208773321962334
Energy: 0.6471360939911914
Energy: 0.6555563533331163
Energy: 0.7145342153607197
Energy: 0.6555563533331163

minimum gb energy = 0.6145294505450213 eV
minimum distance =  2.54586063277049 Angstroms
sigma value = 7


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

Energy: 0.6311478828472317
Energy: 0.630785716455558
Energy: 0.7905397301528279
Energy: 0.6307857164562013
Energy: 0.8028254411963894
Energy: 0.6545997701072606
Energy: 0.6184935948303025
Energy: 0.6545997701066173
Energy: 0.6248515462538552
Energy: 0.6313866157216896
Energy: 0.6419496016288083
Energy: 0.6313866157216896
Energy: 0.6565150438522401
Energy: 0.6602004597130222
Energy: 0.6282441830686133
Energy: 0.6602004597130222
Energy: 0.6246280504598074
Energy: 0.6492670138635156
Energy: 0.6249845258197966
Energy: 0.6492670138635156
Energy: 0.625131401452121
Energy: 0.6319176575753574
Energy: 0.7860020160058994
Energy: 0.6319176575753574
Energy: 0.7309551696760296
Energy: 0.6922307836031829
Energy: 0.6504664035881673
Energy: 0.6922307836006097
Energy: 0.6250120107043672
Energy: 0.6313586626766566
Energy: 0.8258110941697232
Energy: 0.6313586626753701
Energy: 0.7240548757013135
Energy: 0.6556570829589836
Energy: 0.6271427012462484
Energy: 0.6556570829589836
Energy: 0.6249432118816828
Energy: 0.6656388639201439
Energy: 0.7029148613005533
Energy: 0.6656388639214306
Energy: 0.65691947389183
Energy: 0.7084040807179811
Energy: 0.6559145768139288
Energy: 0.708404080717338
Energy: 0.6309780652225669
Energy: 0.6493378285283234
Energy: 0.6557899781343332
Energy: 0.6493378285283234
Energy: 0.6335999523341316
Energy: 0.6321440854937563
Energy: 0.654433957960288
Energy: 0.6321440854937563
Energy: 0.6573685706347341
Energy: 0.6283092843119786
Energy: 0.6443231053719357
Energy: 0.6283092843119786
Energy: 0.6169649074957507
Energy: 0.6597438289095549
Energy: 0.7553140699124004
Energy: 0.6597438289089115
Energy: 0.8244431507053884
Energy: 0.6280296434079818
Energy: 0.6314986556609631
Energy: 0.6280296434086251
Energy: 0.6384118164547844
Energy: 0.6482925210032043
Energy: 0.7019863174176968
Energy: 0.6482925210044909
Energy: 0.6249085667893374
Energy: 0.625335184979002
Energy: 0.6438294080597531
Energy: 0.6253351849777153
Energy: 0.6381144316977982
Energy: 0.7076428739151106
Energy: 0.6509652901455464
Energy: 0.7076428739157539
Energy: 0.6167491908885455
Energy: 0.6530089069541094
Energy: 0.6313051854345363
Energy: 0.6530089069541094
Energy: 0.6391299752739733
Energy: 0.7091478022064115
Energy: 0.6269602993294167
Energy: 0.709147802207698
Energy: 0.6246366059971824
Energy: 0.6318586251350754
Energy: 0.6450323774380423
Energy: 0.6318586251337889
Energy: 0.7433199756315573
Energy: 0.6561889120349184
Energy: 0.6557745714121807
Energy: 0.6561889120362048
Energy: 0.631409414732382
Energy: 0.6311659776527235
Energy: 0.8150773831837257
Energy: 0.6311659776533667
Energy: 0.6310824640448738
Energy: 0.6523725396864551
Energy: 0.6502858807182953
Energy: 0.6523725396877418
Energy: 0.6378346450251847
Energy: 0.6582232101841882
Energy: 0.6497441907878101
Energy: 0.6582232101835449
Energy: 0.6244880422951253
Energy: 0.662503036407902
Energy: 0.6904376640656165
Energy: 0.6625030364072588
Energy: 0.6585465551158027
Energy: 0.648404667780664
Energy: 0.6278568233638041
Energy: 0.6484046677813073
Energy: 0.6282548152121868
Energy: 0.63111323454736
Energy: 0.7657106189748621
Energy: 0.6311132345467169
Energy: 0.6810508166824022
Energy: 0.6453368804600228
Energy: 0.6650527615325099
Energy: 0.6453368804593794
Energy: 0.6282577021214071
Energy: 0.6311649950279211
Energy: 0.7561165122576387
Energy: 0.6311649950279211

minimum gb energy = 0.6167491908885455 eV
minimum distance =  2.54211797939001 Angstroms
sigma value = 29


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

Energy: 0.5940513154716681
Energy: 0.5810540846337288
Energy: 0.7042965282942913
Energy: 0.5810540846335047
Energy: 0.659496034483952
Energy: 0.5718368197791617
Energy: 0.5729607069446675
Energy: 0.5718368197789376
Energy: 0.5657440902055834
Energy: 0.609002134552824
Energy: 0.6582704426414074
Energy: 0.609002134552824
Energy: 0.5937158696373388
Energy: 0.5927477624563281
Energy: 0.6726870784803507
Energy: 0.5927477624567763
Energy: 0.5943288708347121
Energy: 0.5922489747315485
Energy: 0.6938831136594513
Energy: 0.5922489747317725
Energy: 0.5811085234692341
Energy: 0.6090771910428067
Energy: 0.5811302070331603
Energy: 0.6090771910430058
Energy: 0.5653977185661746
Energy: 0.5923493948991755
Energy: 0.5943296333392463
Energy: 0.5923493948993747
Energy: 0.6719213672846168
Energy: 0.592857713618178
Energy: 0.5936938423151822
Energy: 0.5928577136186262
Energy: 0.6582263480438711
Energy: 0.6090054618605469
Energy: 0.6043548496390707
Energy: 0.6090054618605469

minimum gb energy = 0.5653977185661746 eV
minimum distance =  2.59984868591157 Angstroms
sigma value = 5


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

Energy: 0.5940133813328838
Energy: 0.5917058891348962
Energy: 0.7131089402629995
Energy: 0.5917058891348962
Energy: 0.6021659371214978
Energy: 0.5866147978151544
Energy: 0.5913707482391768
Energy: 0.5866147978145467
Energy: 0.5818761112621849
Energy: 0.5879136143090257
Energy: 0.6954135584204035
Energy: 0.5879136143096333
Energy: 0.5947389526637242
Energy: 0.6144096430689054
Energy: 0.5870382581907799
Energy: 0.6144096430682978
Energy: 0.5860832681902547
Energy: 0.6172980200056527
Energy: 0.6803820078748722
Energy: 0.6172980200050451
Energy: 0.6176221032390555
Energy: 0.5922329950913429
Energy: 0.5811070205530176
Energy: 0.5922329950913429
Energy: 0.583982198855788
Energy: 0.6157057734067133
Energy: 0.5922541985498193
Energy: 0.6157057734067133
Energy: 0.5798381519764952
Energy: 0.5921790828163486
Energy: 0.5834496040928441
Energy: 0.5921790828163486
Energy: 0.5831248595110099
Energy: 0.6161648724048999
Energy: 0.5906033178958613
Energy: 0.6161648724048999
Energy: 0.583003958575858
Energy: 0.6159717567344724
Energy: 0.602699045990558
Energy: 0.6159717567344724
Energy: 0.5924180098086849
Energy: 0.6149047879535756
Energy: 0.5880136661603333
Energy: 0.6149047879535756
Energy: 0.5876011175176259
Energy: 0.6181009356981229
Energy: 0.5931882364585398
Energy: 0.6181009356987306
Energy: 0.618726830913711
Energy: 0.5917656387339109
Energy: 0.5938173411690932
Energy: 0.5917656387339109
Energy: 0.5919101785148888
Energy: 0.5930064640595459
Energy: 0.6544227262610002
Energy: 0.5930064640595459
Energy: 0.7376427071112704
Energy: 0.5814079731469277
Energy: 0.5879424636530135
Energy: 0.5814079731469277
Energy: 0.5832383358495904
Energy: 0.5880642966998745
Energy: 0.7028836275073724
Energy: 0.5880642966998745
Energy: 0.6338103145486168
Energy: 0.5885420193477622
Energy: 0.5920642330660725
Energy: 0.5885420193477622
Energy: 0.5862244321557839
Energy: 0.5919331977378335
Energy: 0.7572093281338873
Energy: 0.5919331977384411
Energy: 0.6691823874659665
Energy: 0.6172953859250115
Energy: 0.5787593233792343
Energy: 0.6172953859250115
Energy: 0.5834354440758092
Energy: 0.6449954898988358
Energy: 0.5847556106294262
Energy: 0.6449954899006587
Energy: 0.5928047993064995
Energy: 0.6129603944786538
Energy: 0.5870460025416889
Energy: 0.6129603944786538
Energy: 0.5944543882027568
Energy: 0.6159417153067472
Energy: 0.5830553806173221
Energy: 0.6159417153067472
Energy: 0.5894260134393238
Energy: 0.5926750199330642
Energy: 0.5965875061550442
Energy: 0.5926750199324564
Energy: 0.5917167609107822
Energy: 0.6176173703360867
Energy: 0.5905227384874976
Energy: 0.6176173703360867
Energy: 0.597126912759148
Energy: 0.5924435382677579
Energy: 0.5890767774508358
Energy: 0.5924435382677579
Energy: 0.5966510751787124
Energy: 0.5927070405350292
Energy: 0.5859798334468577
Energy: 0.5927070405356369
Energy: 0.5832481570422611
Energy: 0.5785529706790233
Energy: 0.6119059218998203
Energy: 0.578552970679631
Energy: 0.7093886496554017
Energy: 0.6153335424472526
Energy: 0.5833541570051062
Energy: 0.6153335424472526
Energy: 0.5923084662701575
Energy: 0.5860662750965657
Energy: 0.6487838462759185
Energy: 0.5860662750965657
Energy: 0.7619517897161278
Energy: 0.5919432366878495
Energy: 0.5861361266898959
Energy: 0.5919432366872419
Energy: 0.5812713345951094
Energy: 0.5845517654297769
Energy: 0.7406917852337053
Energy: 0.5845517654303847
Energy: 0.6748333856075617
Energy: 0.6166574426402358
Energy: 0.5819701935610123
Energy: 0.6166574426390204
Energy: 0.5849943829796737
Energy: 0.6143593398625949
Energy: 0.5978779004576045
Energy: 0.6143593398619874

minimum gb energy = 0.5785529706790233 eV
minimum distance =  2.53227237407408 Angstroms
sigma value = 1


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

Energy: 0.633036666758626
Energy: 0.5706417956740971
Energy: 0.7048465911021362
Energy: 0.5706417956740971
Energy: 0.604240779250361
Energy: 0.5536341225396841
Energy: 0.5668677047520597
Energy: 0.5536341225413646
Energy: 0.5581941409344112
Energy: 0.5663569892190286
Energy: 0.6557238299007816
Energy: 0.5663569892190286
Energy: 0.6062418530447359
Energy: 0.5971669297835994
Energy: 0.5664520000102597
Energy: 0.5971669297835994
Energy: 0.5574083039652321
Energy: 0.5688782611451839
Energy: 0.702179835529262
Energy: 0.5688782611451839
Energy: 0.5568835351541268
Energy: 0.5966115176238598
Energy: 0.5663878620738231
Energy: 0.5966115176255402
Energy: 0.5578102041920766
Energy: 0.6156951270129456
Energy: 0.6389724430759562
Energy: 0.6156951270129456
Energy: 0.5571922287292488
Energy: 0.5661214035469038
Energy: 0.5803005076709055
Energy: 0.5661214035469038
Energy: 0.5659385042721995
Energy: 0.5708901557518602
Energy: 0.5789070311901309
Energy: 0.5708901557527004
Energy: 0.5658932761077493
Energy: 0.6641722485331146
Energy: 0.6048294962278935
Energy: 0.6641722485331146
Energy: 0.5572888911665401
Energy: 0.5666195108814789
Energy: 0.5638562749479226
Energy: 0.5666195108806387
Energy: 0.5568620112468856
Energy: 0.6085329841000684
Energy: 0.6582979816283199
Energy: 0.6085329841000684
Energy: 0.5537794339079802
Energy: 0.5963747180300148
Energy: 0.5670014968878352
Energy: 0.596374718030855
Energy: 0.553912690743494
Energy: 0.5706621641171317
Energy: 0.7006550298920281
Energy: 0.5706621641171317
Energy: 0.6093731077898565
Energy: 0.5967538036548673
Energy: 0.5671531512672929
Energy: 0.5967538036548673
Energy: 0.5582258239295772
Energy: 0.5664081157401857
Energy: 0.5668955233106023
Energy: 0.5664081157385052
Energy: 0.642798884301918
Energy: 0.5540181774353765
Energy: 0.5659383319268868
Energy: 0.5540181774353765
Energy: 0.633036666758626
Energy: 0.5706417956740971
Energy: 0.7752722351800405
Energy: 0.5706417956740971
Energy: 0.604240779251201
Energy: 0.5536341225405244
Energy: 0.5668677047520597
Energy: 0.5536341225405244
Energy: 0.5581941409344112
Energy: 0.5663569892190286
Energy: 0.6557238592839597
Energy: 0.5663569892190286
Energy: 0.6062418534587539
Energy: 0.5971669297844395
Energy: 0.5664520000102597
Energy: 0.5971669297844395
Energy: 0.5574083039652321
Energy: 0.5688782611460241
Energy: 0.7021798355259014
Energy: 0.5688782611451839
Energy: 0.5568835351558072
Energy: 0.5966115176247
Energy: 0.5663878620738231
Energy: 0.5966115176255402
Energy: 0.5578102041920766
Energy: 0.6156951270121054
Energy: 0.564642102155998
Energy: 0.6156951270129456

minimum gb energy = 0.5536341225396841 eV
minimum distance =  2.54386252072733 Angstroms
sigma value = 17


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

Energy: 0.5628321845109306
Energy: 0.5629428077964326
Energy: 0.6947227001815843
Energy: 0.5629428077959132
Energy: 0.5889479396340391
Energy: 0.5608821036964541
Energy: 0.5561551536586107
Energy: 0.5608821036964541
Energy: 0.5543812620760958
Energy: 0.5569706973943517
Energy: 0.5987736567088597
Energy: 0.5569706973943517
Energy: 0.6492241260426163
Energy: 0.5499160423445848
Energy: 0.5532711697617327
Energy: 0.5499160423451043
Energy: 0.5546733137970465
Energy: 0.5914450633432236
Energy: 0.7004770051767881
Energy: 0.5914450633427043
Energy: 0.5673739534109995
Energy: 0.6522758796996689
Energy: 0.5596704615188202
Energy: 0.6522758796996689
Energy: 0.5669526138841551
Energy: 0.5825544390701536
Energy: 0.5595623475202586
Energy: 0.5825544390701536
Energy: 0.5492284440799177
Energy: 0.6537455407045976
Energy: 0.5535899572066292
Energy: 0.6537455407045976
Energy: 0.564220020331118
Energy: 0.6576101594556752
Energy: 0.5680320849819895
Energy: 0.6576101594567137
Energy: 0.5565543997090788
Energy: 0.582055567691189
Energy: 0.5607254191607921
Energy: 0.5820555676901503
Energy: 0.5571968768444479
Energy: 0.6480410964195212
Energy: 0.5575628106580103
Energy: 0.6480410964200406
Energy: 0.5508668133189989
Energy: 0.5813350499430869
Energy: 0.547171477974928
Energy: 0.5813350499425677
Energy: 0.5505477483972617
Energy: 0.6529333750755045
Energy: 0.5557904323106653
Energy: 0.6529333750755045
Energy: 0.5621467406640254
Energy: 0.5897953695939867
Energy: 0.5630290207291637
Energy: 0.5897953695934672
Energy: 0.55881739868134
Energy: 0.6477911474245018
Energy: 0.5684892446514404
Energy: 0.6477911474239826
Energy: 0.5574738685123819
Energy: 0.5574361629892617
Energy: 0.640680693351247
Energy: 0.557436162989781
Energy: 0.5805222688780822
Energy: 0.6475399608948696
Energy: 0.555598352257958
Energy: 0.6475399608933117
Energy: 0.5504191144264808
Energy: 0.5632524135040425
Energy: 0.7600789147937549
Energy: 0.5632524135045619
Energy: 0.6316756929317272
Energy: 0.5835021140762202
Energy: 0.555865585136174
Energy: 0.5835021140772589
Energy: 0.5569435480598753
Energy: 0.5568362187041903
Energy: 0.7104753988106643
Energy: 0.5568362187041903
Energy: 0.5693581096463786
Energy: 0.5562906233650934
Energy: 0.5655354584700553
Energy: 0.5562906233645741
Energy: 0.5657465589066951
Energy: 0.5643448338573603
Energy: 0.5698992179164453
Energy: 0.5643448338573603
Energy: 0.6067488883759066
Energy: 0.5564357138395293
Energy: 0.5580090996500577
Energy: 0.5564357138395293
Energy: 0.556203002055844
Energy: 0.583275238314373
Energy: 0.6432996489373227
Energy: 0.5832752383138536
Energy: 0.6836852665201626
Energy: 0.5633064231973265
Energy: 0.5515003379199769
Energy: 0.5633064231973265
Energy: 0.5571823421443877
Energy: 0.5909705152014406
Energy: 0.5555805537676494
Energy: 0.5909705152014406
Energy: 0.6203064022239034
Energy: 0.5794641435169904
Energy: 0.5586229588239985
Energy: 0.5794641435164711
Energy: 0.5712624118331707
Energy: 0.6484288242491534
Energy: 0.5601410321206055
Energy: 0.6484288242491534
Energy: 0.5631226806592452
Energy: 0.589508692654516
Energy: 0.5637856171364621
Energy: 0.589508692654516
Energy: 0.5572428412470338
Energy: 0.6532399993634824
Energy: 0.5655110681212313
Energy: 0.6532399993629631
Energy: 0.5558990110434723
Energy: 0.5892288254905881
Energy: 0.5588659626141904
Energy: 0.5892288254895495
Energy: 0.5538658067105923
Energy: 0.646861871143182
Energy: 0.5552244177163111
Energy: 0.6468618711426627
Energy: 0.5587280975078016
Energy: 0.5823645543173169
Energy: 0.6272299337198355
Energy: 0.5823645543167976
Energy: 0.5774326222685225
Energy: 0.6566627472124555
Energy: 0.5619008976075054
Energy: 0.6566627472124555
Energy: 0.5532992915016259
Energy: 0.563674831539761
Energy: 0.5772207047842576
Energy: 0.563674831539761
Energy: 0.5601773708722271
Energy: 0.583496652548986
Energy: 0.5680907622185833
Energy: 0.583496652548986
Energy: 0.5579166107700234
Energy: 0.6517032667877166
Energy: 0.5691595958411223
Energy: 0.6517032667877166
Energy: 0.590069779630697
Energy: 0.5923443432704231
Energy: 0.5577660904361703
Energy: 0.5923443432714615

minimum gb energy = 0.547171477974928 eV
minimum distance =  2.5349119414478 Angstroms
sigma value = 89


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

Energy: 0.4926109769515926
Energy: 0.4926774540099168
Energy: 0.6777795887497168
Energy: 0.4926774540099168
Energy: 0.49283098839407724
Energy: 0.5088487968494824
Energy: 0.5031915530494586
Energy: 0.5088487968494824
Energy: 0.5014122320303367
Energy: 0.5728044901031704
Energy: 0.6433986112464325
Energy: 0.5728044901031704
Energy: 0.6319164356873046
Energy: 0.50884232463015
Energy: 0.5033071253719061
Energy: 0.50884232463015
Energy: 0.5013133605965926
Energy: 0.4935719984033662
Energy: 0.737778056607146
Energy: 0.49357199840472493
Energy: 0.5013874592191452
Energy: 0.49285265686261154
Energy: 0.4925467181507031
Energy: 0.49285265686261154
Energy: 0.5016551350962333
Energy: 0.5730639560276368
Energy: 0.49283602362469436
Energy: 0.5730639560276368
Energy: 0.5058361019225331
Energy: 0.6663018419936871
Energy: 0.5031123267131224
Energy: 0.6663018419936871
Energy: 0.5014164611163744
Energy: 0.5321502752309877
Energy: 0.6290126689872383
Energy: 0.5321502752309877
Energy: 0.5088315214961429
Energy: 0.6205598036696692
Energy: 0.5012928825325478
Energy: 0.620559803671028
Energy: 0.492603543423181
Energy: 0.5089014638647699
Energy: 0.5013552862872885
Energy: 0.5089014638647699
Energy: 0.4926339923227937
Energy: 0.5712491971463795
Energy: 0.5032220958284487
Energy: 0.5712491971463795
Energy: 0.5013739071837701
Energy: 0.5305072408715343
Energy: 0.5043922167006322
Energy: 0.5305072408715343
Energy: 0.5014114091193967
Energy: 0.530079061711608
Energy: 0.5015297490490073
Energy: 0.530079061711608
Energy: 0.4953652757376671
Energy: 0.530529383188909
Energy: 0.5013020786429335
Energy: 0.530529383188909

minimum gb energy = 0.4925467181507031 eV
minimum distance =  2.5534738553641 Angstroms
sigma value = 13


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

Energy: 0.5015689839799626
Energy: 0.6552383260654835
Energy: 0.6403303298448068
Energy: 0.6552383260660529
Energy: 0.5277666522283812
Energy: 0.5876798274984578
Energy: 0.491286486676742
Energy: 0.5876798275274765
Energy: 0.4927060943977689
Energy: 0.5808080756021485
Energy: 0.5653243442796575
Energy: 0.5808080755651568
Energy: 0.4928066402527335
Energy: 0.5895221007337619
Energy: 0.4882108043510888
Energy: 0.5895221006546268
Energy: 0.4962332143499979
Energy: 0.5875808228485725
Energy: 0.5295781858715007
Energy: 0.587580822850281
Energy: 0.48563841178406
Energy: 0.5053445118431302
Energy: 0.49159884754910194
Energy: 0.5053445118425607
Energy: 0.4964215160806044
Energy: 0.6939587110489159
Energy: 0.6356470599484354
Energy: 0.6939587110483465
Energy: 0.4866649256615519
Energy: 0.5919725634406382
Energy: 0.49157813526333477
Energy: 0.5919725482251406
Energy: 0.4960879113841993
Energy: 0.5911662432517331
Energy: 0.5774210391993975
Energy: 0.5911662432534416
Energy: 0.575340731320744
Energy: 0.5276478231955284
Energy: 0.48829585663914665
Energy: 0.5276478231932504
Energy: 0.49802730174763826
Energy: 0.5278578193738678
Energy: 0.4918414626714112
Energy: 0.5278578193715897
Energy: 0.5957133993248153
Energy: 0.5961725743925825
Energy: 0.4926207163539472
Energy: 0.5961725743920132
Energy: 0.5083648877552303
Energy: 0.49651383554158945
Energy: 0.5002831444328558
Energy: 0.49651383554158945
Energy: 0.6085131479415358
Energy: 0.527578435053329
Energy: 0.49283641495044794
Energy: 0.5275784350527595
Energy: 0.49657923576978735
Energy: 0.4916458803642547
Energy: 0.48585284708944687
Energy: 0.49164588036596324
Energy: 0.4840529261666313
Energy: 0.527625700066889
Energy: 0.4868418506920948
Energy: 0.527625700066889
Energy: 0.4921195571544231
Energy: 0.5143551303939399
Energy: 0.4872100273997801
Energy: 0.5143551303962179
Energy: 0.4914031206464528
Energy: 0.5197680439951081
Energy: 0.48986323525331943
Energy: 0.5197680439956774
Energy: 0.4925063496923161
Energy: 0.52262746538393
Energy: 0.4898552523523441
Energy: 0.5226274653844996
Energy: 0.4924800069638726
Energy: 0.5229628804493753
Energy: 0.4898234881348363
Energy: 0.5229628804505143
Energy: 0.4910378488335792
Energy: 0.5198012371200813
Energy: 0.4898810160118927
Energy: 0.5198012371189422
Energy: 0.4922274024929817
Energy: 0.514185095745686
Energy: 0.48703366056360936
Energy: 0.5141850957462556
Energy: 0.4841732553374983
Energy: 0.5276445310692449
Energy: 0.48678814803644066
Energy: 0.5276445310681058
Energy: 0.49646215254933185
Energy: 0.4917195017272761
Energy: 0.48789318235972584
Energy: 0.4917195017267066
Energy: 0.6086874299821319
Energy: 0.5275060509123815
Energy: 0.49284795208909427
Energy: 0.527506050912951
Energy: 0.5082216762167946
Energy: 0.49639787236010996
Energy: 0.4875745458003126
Energy: 0.4963978723606795
Energy: 0.5956770677210732
Energy: 0.5975169964174102
Energy: 0.4925084344833605
Energy: 0.5975169964196881
Energy: 0.4962109811806864
Energy: 0.5278982813257611
Energy: 0.4852844155420879
Energy: 0.527898281324648
Energy: 0.5746589662106135
Energy: 0.5983287459974709
Energy: 0.48830098119749465
Energy: 0.5983287457674952
Energy: 0.4985360473788563
Energy: 0.5907167807853648
Energy: 0.5444921665451783
Energy: 0.5907167807859343
Energy: 0.4866423441553596
Energy: 0.5871893764785283
Energy: 0.4915663777046708
Energy: 0.5871913414309585
Energy: 0.49900721152016153
Energy: 0.6938693957460305
Energy: 0.5869382119848491
Energy: 0.6938693957454609
Energy: 0.4857630712153334
Energy: 0.5055688650743685
Energy: 0.49166597226547387
Energy: 0.505568865073799
Energy: 0.49620748217569866
Energy: 0.5873914047062343
Energy: 0.6347140574360612
Energy: 0.5873914047056648
Energy: 0.49616886492009765
Energy: 0.5924538860989982
Energy: 0.48821463797859305
Energy: 0.5924538861018457

minimum gb energy = 0.4840529261666313 eV
minimum distance =  2.46667884427224 Angstroms
sigma value = 37


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

Energy: 0.5322870559187369
Energy: 0.5423302856791419
Energy: 0.45503703873592705
Energy: 0.5423302856791419
Energy: 0.5247384384557278
Energy: 0.5861844893326875
Energy: 0.451207909344475
Energy: 0.5861844893326875
Energy: 0.46035860920521626
Energy: 0.600752362126372
Energy: 0.6022237518570733
Energy: 0.6007523621293113
Energy: 0.4893597311627777
Energy: 0.46167138984366446
Energy: 0.45321373602051057
Energy: 0.46167138984366446
Energy: 0.4526542841192462
Energy: 0.5864439542394654
Energy: 0.4759268532665423
Energy: 0.5864439542394654
Energy: 0.4552573403205163
Energy: 0.6522520804356474
Energy: 0.5100346916172169
Energy: 0.6522520804366272
Energy: 0.4593380861788821
Energy: 0.715461578604342
Energy: 0.5836514782037991
Energy: 0.7154615786053218
Energy: 0.4428715360854323
Energy: 0.4616035120423476
Energy: 0.4634164300991976
Energy: 0.4616035120423476
Energy: 0.4519726224648832
Energy: 0.5866631807709612
Energy: 0.5424433485242859
Energy: 0.5866631807709612
Energy: 0.6025135666861091
Energy: 0.5966075424450842
Energy: 0.5100252601632842
Energy: 0.5966075424450842
Energy: 0.4611272847330822
Energy: 0.6871880378544886
Energy: 0.495384280455097
Energy: 0.6871880378544886
Energy: 0.607791225368268
Energy: 0.46149486425383934
Energy: 0.45330247536389495
Energy: 0.46149486425383934
Energy: 0.508226508277943
Energy: 0.586550158723057
Energy: 0.449622518096078
Energy: 0.586550158723057
Energy: 0.5981893128927604
Energy: 0.713925027112738
Energy: 0.44568914015676314
Energy: 0.713925027112738
Energy: 0.5323300803490892
Energy: 0.48407682099833593
Energy: 0.44587124465454303
Energy: 0.48407682099735616
Energy: 0.5268787593155708
Energy: 0.5870190658403441
Energy: 0.45122129250622306
Energy: 0.5870190658403441
Energy: 0.5081778150173231
Energy: 0.5872301117958871
Energy: 0.45178820465015535
Energy: 0.5872301117958871
Energy: 0.4957083089387765
Energy: 0.6874725136844078
Energy: 0.4523568217884006
Energy: 0.6874725136844078
Energy: 0.45233175379414536
Energy: 0.461388762745708
Energy: 0.451255142720722
Energy: 0.461388762745708
Energy: 0.45048467921353375
Energy: 0.5871751470756648
Energy: 0.5058716035158407
Energy: 0.5871751470756648

minimum gb energy = 0.4428715360854323 eV
minimum distance =  2.54305415571593 Angstroms
sigma value = 25


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

Energy: 0.43093964462656076
Energy: 0.6093190490009535
Energy: 0.5719359374819567
Energy: 0.6093190490001884
Energy: 0.49123987703087807
Energy: 0.6192546080029064
Energy: 0.41231565835145273
Energy: 0.6192546080029064
Energy: 0.4076436258022109
Energy: 0.4077348243448585
Energy: 0.7366225088783811
Energy: 0.4077348243448585
Energy: 0.4179403439325207
Energy: 0.6182789903388507
Energy: 0.4111002438080512
Energy: 0.6182789903388507
Energy: 0.4115760430137159
Energy: 0.6192828979949534
Energy: 0.41958408096592786
Energy: 0.6192828979934231
Energy: 0.40084204424398834
Energy: 0.6178714855405456
Energy: 0.4124061081605191
Energy: 0.6178714855413108
Energy: 0.4120937967472716
Energy: 0.512721848463324
Energy: 0.4173475068211507
Energy: 0.5127218484625589
Energy: 0.40012093613574884
Energy: 0.5340731066403522
Energy: 0.4086297400735392
Energy: 0.5340731066350313
Energy: 0.4114504447045
Energy: 0.6172331097325212
Energy: 0.4917259771094407
Energy: 0.6172331097317562
Energy: 0.3995022387645016
Energy: 0.5137799957029219
Energy: 0.43187177973329555
Energy: 0.5137799956379228
Energy: 0.41204533500479035
Energy: 0.4092195958449779
Energy: 0.5524427702854863
Energy: 0.4092195958449779
Energy: 0.5099548547872498
Energy: 0.6508730414775746
Energy: 0.4087605105125138
Energy: 0.6508730414775746
Energy: 0.4115453540685
Energy: 0.6176594766347291
Energy: 0.476685962888329
Energy: 0.6176594766347291
Energy: 0.5209204584585221
Energy: 0.6299501357077679
Energy: 0.4123540563001078
Energy: 0.6299501357077679
Energy: 0.41195964429333504
Energy: 0.40931677272143596
Energy: 0.39858926562252567
Energy: 0.40931677272143596
Energy: 0.49905717182046494
Energy: 0.6371192101619235
Energy: 0.41107731092299105
Energy: 0.6371192101619235
Energy: 0.4114928176155333
Energy: 0.5331862498060495
Energy: 0.400332811252265
Energy: 0.5331862498060495
Energy: 0.4894902097062353
Energy: 0.6175670484023426
Energy: 0.412464926430813
Energy: 0.6175670484031076
Energy: 0.4348049217062804
Energy: 0.5122206291075683
Energy: 0.39897175282632513
Energy: 0.5122206291411979
Energy: 0.5521942100717268
Energy: 0.6355735575359592
Energy: 0.41109362694846174
Energy: 0.6355735575359592
Energy: 0.41166138534465124
Energy: 0.6507442318027751
Energy: 0.4037735411459407
Energy: 0.6507442318035402
Energy: 0.4080510526335836
Energy: 0.6165686342840468
Energy: 0.41258969998739925
Energy: 0.6165686342840468
Energy: 0.4120964550211405
Energy: 0.628238665518301
Energy: 0.5212298711309159
Energy: 0.6282386655175359
Energy: 0.40266936602223435
Energy: 0.6345789451457263
Energy: 0.41110111772810926
Energy: 0.6345789451396056
Energy: 0.4112383642229039
Energy: 0.6508334437506234
Energy: 0.4963171091176733
Energy: 0.6508334437506234
Energy: 0.3991113163933304
Energy: 0.5328282760621005
Energy: 0.407771112171747
Energy: 0.5328282760621005

minimum gb energy = 0.39858926562252567 eV
minimum distance =  2.48409723036403 Angstroms
sigma value = 41


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

Energy: 0.5318399050697767
Energy: 0.5566156090750978
Energy: 0.5355442840088818
Energy: 0.5566156090744705
Energy: 0.5047466028111183
Energy: 0.5490329484696117
Energy: 0.3721553208752277
Energy: 0.5490329484696117
Energy: 0.3820710697984411
Energy: 0.5475263675909852
Energy: 0.6965480925163856
Energy: 0.5475263675909852
Energy: 0.4441022387737286
Energy: 0.5475484387001905
Energy: 0.37211006047756595
Energy: 0.5475484387001905
Energy: 0.36919756263633735
Energy: 0.5628079683413183
Energy: 0.38577022722892
Energy: 0.5628079683406909
Energy: 0.38295857969242814
Energy: 0.5460319490452121
Energy: 0.3720304323499567
Energy: 0.546031949042703
Energy: 0.3715686957676565
Energy: 0.5468635329194386
Energy: 0.38349354450445555
Energy: 0.5468635329194386
Energy: 0.3654474851543009
Energy: 0.46793101038281826
Energy: 0.36986003563856795
Energy: 0.467931010382191
Energy: 0.37379031347413555
Energy: 0.578639156147014
Energy: 0.5385358021339419
Energy: 0.5786391561463867
Energy: 0.36934383136126575
Energy: 0.37299786760208065
Energy: 0.382569332274974
Energy: 0.3729978675004932
Energy: 0.371624534033453
Energy: 0.5450416133839415
Energy: 0.5048901966862842
Energy: 0.5450416133839415
Energy: 0.3649459536191941
Energy: 0.554379291191151
Energy: 0.5323799911724222
Energy: 0.554379291191151
Energy: 0.3737612553058955
Energy: 0.5780335513346011
Energy: 0.5052537283183896
Energy: 0.5780335513358555
Energy: 0.459329329305176
Energy: 0.4956363257605834
Energy: 0.38262120463053484
Energy: 0.4956363257618379
Energy: 0.37151490722670494
Energy: 0.5449701134610091
Energy: 0.4901631653244962
Energy: 0.5449701134603819
Energy: 0.46669159712009195
Energy: 0.5778432158079742
Energy: 0.3698169437911535
Energy: 0.5778432158086013
Energy: 0.37372486750168454
Energy: 0.5778976190629903
Energy: 0.4270534440329696
Energy: 0.5778976190623629
Energy: 0.46081861771565946
Energy: 0.49630923672452637
Energy: 0.3720705399223312
Energy: 0.49630923672327176
Energy: 0.37155201774431285
Energy: 0.4678050112172133
Energy: 0.36556861639850063
Energy: 0.4678050112172133
Energy: 0.4497912583620647
Energy: 0.5779315961763122
Energy: 0.3736389279626253
Energy: 0.5779315961763122
Energy: 0.3843101805601915
Energy: 0.5774560776909253
Energy: 0.36665683990654846
Energy: 0.5774560776909253
Energy: 0.5887408141325631
Energy: 0.606769051899724
Energy: 0.37212728011461715
Energy: 0.606769051899724
Energy: 0.5337086974286267
Energy: 0.5549601537620776
Energy: 0.36511746553916286
Energy: 0.5549601537633323
Energy: 0.5024973586827505
Energy: 0.5773288169638313
Energy: 0.37383053395702687
Energy: 0.577328816963204
Energy: 0.38429260398102244
Energy: 0.5777261156655953
Energy: 0.36815057277656943
Energy: 0.5777261156655953
Energy: 0.48817747573248177
Energy: 0.6057150267092315
Energy: 0.37207038889328753
Energy: 0.6057150267092315
Energy: 0.37152964100095726
Energy: 0.5759951950015416
Energy: 0.4678816770541132
Energy: 0.5759951950021688
Energy: 0.37364018443869423
Energy: 0.5764971509074436
Energy: 0.37633321781587975
Energy: 0.5764971509074436
Energy: 0.37384379122378086
Energy: 0.5993833126593109
Energy: 0.4641608323562821
Energy: 0.5993833126586836
Energy: 0.36967611498224895
Energy: 0.5951263740181092
Energy: 0.374328330584836
Energy: 0.5951263740181092
Energy: 0.3718658143324161
Energy: 0.5760706505591169
Energy: 0.45146562120249606
Energy: 0.5760706505591169
Energy: 0.3682559205261028
Energy: 0.5762644926358839
Energy: 0.38690207713469266
Energy: 0.5762644926358839

minimum gb energy = 0.3649459536191941 eV
minimum distance =  2.47727793636353 Angstroms
sigma value = 15


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

Energy: 0.5299830736633032
Energy: 0.5517834379170405
Energy: 0.5118921640126564
Energy: 0.551783437917572
Energy: 0.5753944979710811
Energy: 0.5235697278966972
Energy: 0.3497956082341491
Energy: 0.5235697278977599
Energy: 0.39540056056640877
Energy: 0.519218322163494
Energy: 0.4275051187864675
Energy: 0.5192183221624312
Energy: 0.49992371973011457
Energy: 0.5117922763297206
Energy: 0.3497837457171523
Energy: 0.5117922762149916
Energy: 0.3822629213960694
Energy: 0.5494139749891104
Energy: 0.3557270691853835
Energy: 0.5494139749891104
Energy: 0.4486274486109508
Energy: 0.523907307777506
Energy: 0.34997321020379335
Energy: 0.523907307777506
Energy: 0.35268535490773945
Energy: 0.5016275222655424
Energy: 0.381835643370535
Energy: 0.5016275222671366
Energy: 0.3819774539755795
Energy: 0.5039780682718707
Energy: 0.35350031337779264
Energy: 0.5039780682734649
Energy: 0.3509281921690471
Energy: 0.5471535410960333
Energy: 0.4743488583721007
Energy: 0.5471535410965648
Energy: 0.36530369893585735
Energy: 0.5401718611021811
Energy: 0.38252225497003967
Energy: 0.5401718611011183
Energy: 0.34948473443821476
Energy: 0.5199389280236668
Energy: 0.5009685599736066
Energy: 0.5199389280231353
Energy: 0.34634352424591136
Energy: 0.5126889851465352
Energy: 0.3956030113224785
Energy: 0.5126889851475979
Energy: 0.35092529186643756
Energy: 0.551823139163356
Energy: 0.5805613474545575
Energy: 0.5518231391644187
Energy: 0.35157572888267835
Energy: 0.5540727838340591
Energy: 0.48510509369048843
Energy: 0.5540727838329963
Energy: 0.3494130346317146
Energy: 0.5221214813798434
Energy: 0.5410564201885956
Energy: 0.5221214813787807
Energy: 0.4217966507399916
Energy: 0.5121992234621572
Energy: 0.39563231156142753
Energy: 0.5121992234626885
Energy: 0.35084398709541637
Energy: 0.5421368796107742
Energy: 0.5017007138118966
Energy: 0.5421368796113056
Energy: 0.43318148636621956
Energy: 0.5596629443127377
Energy: 0.38265810986974724
Energy: 0.5596629443132691
Energy: 0.3504048291124683
Energy: 0.5222473998273056
Energy: 0.4498035919218783
Energy: 0.5222473998267743
Energy: 0.4464145337402225
Energy: 0.521856705289974
Energy: 0.35339525163953983
Energy: 0.5218567052915681
Energy: 0.3549251523432635
Energy: 0.5333835440406337
Energy: 0.3830939529620228
Energy: 0.5333835440443534
Energy: 0.45919214492665716
Energy: 0.558521950597053
Energy: 0.35265091003740495
Energy: 0.5585219505959903
Energy: 0.3836296332768167
Energy: 0.531990598323166
Energy: 0.36416758735234844
Energy: 0.5319905983247118
Energy: 0.561366903911431
Energy: 0.5218777293362342
Energy: 0.3497875781674027
Energy: 0.5218777293362342
Energy: 0.3968006121782728
Energy: 0.5434602605056685
Energy: 0.3697880737368068
Energy: 0.5434602605088568
Energy: 0.5815229547958971
Energy: 0.5531687512656728
Energy: 0.35251541415340065
Energy: 0.5531687512656728
Energy: 0.5310430126534413
Energy: 0.5485536139756771
Energy: 0.3382675208758005
Energy: 0.5485536139751457
Energy: 0.650569401827988
Energy: 0.5221680921792635
Energy: 0.34970659412106725
Energy: 0.5221680921792635
Energy: 0.3968425299048683
Energy: 0.5595021338932313
Energy: 0.3448509077086706
Energy: 0.559502133894294
Energy: 0.4975739431016571
Energy: 0.5415982375792471
Energy: 0.35265431526547925
Energy: 0.5415982375797301
Energy: 0.3837004655771898
Energy: 0.5471225868908174
Energy: 0.4280227476505166
Energy: 0.5471225868908174
Energy: 0.49241631874741076
Energy: 0.521574682862567
Energy: 0.35143054865871814
Energy: 0.5215746828641612
Energy: 0.35492385950898075
Energy: 0.5594996929717746
Energy: 0.4563531638257082
Energy: 0.5594996929701804
Energy: 0.3784151572661073
Energy: 0.5329699761809343
Energy: 0.3569746167624909
Energy: 0.5329699761814658
Energy: 0.3476091668579228
Energy: 0.5471536160339401
Energy: 0.45575531563335747
Energy: 0.5471536160350028
Energy: 0.3762374598497191
Energy: 0.531030832104632
Energy: 0.3852905234436438
Energy: 0.5310308321041006
Energy: 0.35080861541608793
Energy: 0.5597707875920281
Energy: 0.557693015954433
Energy: 0.5597707875920281

minimum gb energy = 0.3382675208758005 eV
minimum distance =  2.56175200561075 Angstroms
sigma value = 85


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

Energy: 0.4955216256708335
Energy: 0.5177684776805598
Energy: 0.42157255541970406
Energy: 0.5177684776814817
Energy: 0.5949919852917843
Energy: 0.4829960101914216
Energy: 0.31926437604212443
Energy: 0.4829960103535619
Energy: 0.47649243042370776
Energy: 0.47447456605029714
Energy: 0.3800252352462272
Energy: 0.4744745660816149
Energy: 0.5251595326345232
Energy: 0.47910735307264785
Energy: 0.3192889140446967
Energy: 0.47910735308232605
Energy: 0.36357753531422876
Energy: 0.45813106981401347
Energy: 0.33459757971709025
Energy: 0.4581310698144744
Energy: 0.46008296274678595
Energy: 0.4734790452905462
Energy: 0.3189991024274972
Energy: 0.4734790476790583
Energy: 0.34725171728382254
Energy: 0.46455712288340556
Energy: 0.35918467640456525
Energy: 0.4645571228539102
Energy: 0.4161408509259904
Energy: 0.478853594913657
Energy: 0.3231888634715735
Energy: 0.47885359491411783
Energy: 0.3223465553778393
Energy: 0.4489028206771562
Energy: 0.4028096627441805
Energy: 0.44890282070063925
Energy: 0.35899847403685586
Energy: 0.46095800925209635
Energy: 0.347860138877209
Energy: 0.4609580085518971
Energy: 0.3202119218438508
Energy: 0.48151004579967766
Energy: 0.4604159871894653
Energy: 0.48151004586187335
Energy: 0.32866060619274495
Energy: 0.4943269847936893
Energy: 0.36396857733110916
Energy: 0.49432698479322845
Energy: 0.3188956775224161
Energy: 0.4486853600826035
Energy: 0.5639602780608961
Energy: 0.4486853600710819
Energy: 0.30796728607211804
Energy: 0.47311588295599816
Energy: 0.47682943451302684
Energy: 0.4731158829785596
Energy: 0.320352360928198
Energy: 0.4790656713489853
Energy: 0.5956848494822232
Energy: 0.47906567136788075
Energy: 0.30476670609619133
Energy: 0.5062980032210332
Energy: 0.45642893172817806
Energy: 0.5062980032214942
Energy: 0.31884991132490537
Energy: 0.4486216477108247
Energy: 0.5649237138271321
Energy: 0.4486216477624206
Energy: 0.3687118155469633
Energy: 0.4728906368206398
Energy: 0.4768860706283441
Energy: 0.47289063683077887
Energy: 0.3201297671702758
Energy: 0.4790992469925355
Energy: 0.5261771153948921
Energy: 0.4790992470012918
Energy: 0.3799662450949042
Energy: 0.5160287266720527
Energy: 0.36398244549550435
Energy: 0.5160287266725136
Energy: 0.31936982986806856
Energy: 0.4238735566260299
Energy: 0.4945667449982881
Energy: 0.42387355662649073
Energy: 0.3994090579802221
Energy: 0.4795191145344362
Energy: 0.3476583553062856
Energy: 0.4795191145344362
Energy: 0.3231656899023495
Energy: 0.4788465027805734
Energy: 0.41658791435922704
Energy: 0.47884650252213345
Energy: 0.4021468259856788
Energy: 0.5130889561922161
Energy: 0.32301073494655275
Energy: 0.5130889561940594
Energy: 0.3488184073934765
Energy: 0.42650643045631725
Energy: 0.3594605608174298
Energy: 0.42650643045631725
Energy: 0.5021003227759492
Energy: 0.4798064486382357
Energy: 0.31921357252514254
Energy: 0.4798064488372452
Energy: 0.3650743249881682
Energy: 0.49127491075504026
Energy: 0.3273153417807947
Energy: 0.49127491075411855
Energy: 0.49538331363374005
Energy: 0.513205962683106
Energy: 0.31927232333613653
Energy: 0.5132059626835669
Energy: 0.4776376357993058
Energy: 0.4764629666167231
Energy: 0.3305530457769156
Energy: 0.4764629666176448
Energy: 0.6433820094771575
Energy: 0.47906340090157956
Energy: 0.3197188445432001
Energy: 0.4790636167233216
Energy: 0.4967538696578469
Energy: 0.5116488455153865
Energy: 0.30650025384075225
Energy: 0.5116488455126212
Energy: 0.5869635813844498
Energy: 0.5146352950768925
Energy: 0.319277912112009
Energy: 0.51463529507551
Energy: 0.47772870082027885
Energy: 0.47377922732510663
Energy: 0.30746104701815913
Energy: 0.47377922732510663
Energy: 0.5773158406793678
Energy: 0.47921646566042375
Energy: 0.31971020083566815
Energy: 0.47921646565904114
Energy: 0.3650982519867366
Energy: 0.5095221918219269
Energy: 0.3788665314825864
Energy: 0.5095221918219269
Energy: 0.4372838825880127
Energy: 0.5050886491805351
Energy: 0.32039262034998417
Energy: 0.5050886498374341
Energy: 0.3486061766317042
Energy: 0.479207750997038
Energy: 0.39932133330539404
Energy: 0.47920775099795976
Energy: 0.43100060539006585
Energy: 0.478701251049162
Energy: 0.3223492505579043
Energy: 0.478701251049162
Energy: 0.3231784805675813
Energy: 0.5098344379589508
Energy: 0.40227435505020653
Energy: 0.5098344379580291
Energy: 0.3308863697442731
Energy: 0.49874160163496295
Energy: 0.34257952630407223
Energy: 0.4987416016340413
Energy: 0.3190043511998024
Energy: 0.47903770499311243
Energy: 0.5022691073393909
Energy: 0.4790377049935733
Energy: 0.32689133067487175
Energy: 0.48986390134072244
Energy: 0.36644399120597065
Energy: 0.4898639016055936
Energy: 0.3202196232148022
Energy: 0.5097812675541181
Energy: 0.4952899859380859
Energy: 0.5097812675550397

minimum gb energy = 0.30476670609619133 eV
minimum distance =  2.55922730070264 Angstroms
sigma value = 113


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

Energy: 0.011735057912123226
Energy: 0.013072716925179955
Energy: 0.3930801846927348
Energy: 0.013072716925179955
Energy: 0.3926131778615447
Energy: 0.17518202436756777
Energy: 0.1755595592376439
Energy: 0.17518202436792205
Energy: 0.011735057912123226
Energy: 0.013072716924825666
Energy: 0.39308067876674685
Energy: 0.013072716925534243
Energy: 0.3926131778615447
Energy: 0.17518202436792205
Energy: 0.1755544629339877
Energy: 0.17518202436827635
Energy: 0.011735057912457833
Energy: 0.013072716925179955
Energy: 0.3930818151805166
Energy: 0.013072716925179955
Energy: 0.3926131778615447
Energy: 0.17518202436756777
Energy: 0.1755553078180312
Energy: 0.17518202436792205

minimum gb energy = 0.011735057912123226 eV
minimum distance =  2.83530824446066 Angstroms
sigma value = 1