Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
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=4.049994595348835
cohesive_energy=3.360264143322612
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: -5.87828410947289e-10 eV

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

Energy: 0.010351873902651527
Energy: 0.011048607841416543
Energy: 0.33877480973861007
Energy: 0.011048607841416543
Energy: 0.011048607841416543
Energy: 0.4096764243712073
Energy: 0.011048607841416543
Energy: 0.4096764243712073
Energy: 0.33877480973861007
Energy: 0.011048607841416543
Energy: 0.010351873902651527
Energy: 0.011048607841416543
Energy: 0.011048607841416543
Energy: 0.4096764243712073
Energy: 0.011048607841416543
Energy: 0.4096764243712073

minimum gb energy = 0.010351873902651527 eV
minimum distance =  2.81208615386523 Angstroms
sigma value = 1


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

Energy: 3.658791374160381
Energy: 0.532406074609285
Energy: 0.5752114816374082
Energy: 0.532406074608679
Energy: 0.5103455938753079
Energy: 0.5287097528380833
Energy: 0.5117158862763698
Energy: 0.5287097528380833
Energy: 0.4948293105054402
Energy: 0.5239158870774383
Energy: 0.5123998640692782
Energy: 0.5239158870774383
Energy: 0.5022298501578023
Energy: 0.5295607393723168
Energy: 0.49467274446459
Energy: 0.5295607393723168
Energy: 0.5021557177701201
Energy: 0.5364483855023887
Energy: 0.5121627126412851
Energy: 0.5364483855017826
Energy: 0.4929782652030682
Energy: 0.6033503965602149
Energy: 0.48350340466633884
Energy: 0.6033503965602149
Energy: 0.5255079737609004
Energy: 0.5235927565357393
Energy: 0.4932488153973113
Energy: 0.5235927565357393
Energy: 0.4812975644430604
Energy: 0.536602629235789
Energy: 0.4807508275567499
Energy: 0.536602629235789
Energy: 0.49463578012252724
Energy: 0.6106820779411138
Energy: 0.5023704457379643
Energy: 0.6106820779411138
Energy: 0.47682936163065875
Energy: 0.5233283757371456
Energy: 0.4753370836100089
Energy: 0.5233283757371456
Energy: 0.5057377999410727
Energy: 0.5266941346106324
Energy: 0.4948133856588452
Energy: 0.5266941346106324
Energy: 0.5266826948497739
Energy: 0.5365954798268185
Energy: 0.4918493468224165
Energy: 0.5365954798268185
Energy: 0.5159497657798241
Energy: 0.5220281940488103
Energy: 0.5253924408195666
Energy: 0.5220281940488103
Energy: 0.5107738852209803
Energy: 0.5312541502897745
Energy: 0.48628526919206655
Energy: 0.5312541502903805
Energy: 0.5014428319215328
Energy: 0.5328710096503736
Energy: 0.4957520081989311
Energy: 0.5328710096503736
Energy: 0.5053685535473242
Energy: 0.5328423716319067
Energy: 0.49938368390330357
Energy: 0.5328423716319067
Energy: 0.5115581242285221
Energy: 0.5239031341536038
Energy: 0.4852363576506617
Energy: 0.5239031341536038
Energy: 0.5116120498795871
Energy: 0.5202910654467736
Energy: 0.5109311481445553
Energy: 0.5202910654467736
Energy: 0.474961872347184
Energy: 0.5348117383467161
Energy: 0.4880725313700465
Energy: 0.5348117383461101
Energy: 0.526751032518628
Energy: 0.49758598677846233
Energy: 0.4960193426264278
Energy: 0.49758598677846233
Energy: 0.48232723632095015
Energy: 0.5239715555529769
Energy: 0.47698813126278666
Energy: 0.5239715555529769
Energy: 0.49467227080431575
Energy: 0.5009944999979896
Energy: 0.5668851643444615
Energy: 0.5009944999943533
Energy: 0.55170830102641
Energy: 0.5364502936984322
Energy: 0.48578583123491453
Energy: 0.5364502936984322
Energy: 0.5400148307692709
Energy: 0.5241554962635597
Energy: 0.49300981107519065
Energy: 0.5241554962635597
Energy: 0.4930779747564793
Energy: 0.5274435486412739
Energy: 0.5730989347244192
Energy: 0.5274435486400617
Energy: 0.5029191582794913
Energy: 0.5367164889853938
Energy: 0.4989385961210888
Energy: 0.5367164889853938
Energy: 0.5034243590262674
Energy: 0.5197944379075662
Energy: 0.4946068546845571
Energy: 0.5197944379075662
Energy: 0.4965483398979729
Energy: 0.5220825249498909
Energy: 0.5207646503809195
Energy: 0.5220825249498909
Energy: 0.5098953829553303
Energy: 0.5155034422613213
Energy: 0.5086347608411904
Energy: 0.5155034422613213
Energy: 0.5267441012804868
Energy: 0.5330704230131346
Energy: 0.5234867930451266
Energy: 0.5330704230131346
Energy: 0.5121740624961932
Energy: 0.5280831144031986
Energy: 0.5114058634069908
Energy: 0.5280831144031986
Energy: 0.497958127670999
Energy: 0.5257289308089897
Energy: 0.5108604226481636
Energy: 0.5257289308089897
Energy: 0.5022562748428172
Energy: 0.5445064635884886
Energy: 0.49596238966290307
Energy: 0.5445064635878826

minimum gb energy = 0.474961872347184 eV
minimum distance =  2.57408600065741 Angstroms
sigma value = 1


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

Energy: 0.558303236596455
Energy: 0.5691281478548044
Energy: 0.6054614196986539
Energy: 0.5691281478554953
Energy: 0.5210925616919401
Energy: 0.547036920361865
Energy: 0.5217807249977287
Energy: 0.5470369203625561
Energy: 0.5105083729744795
Energy: 0.569816119738098
Energy: 0.5286403996573027
Energy: 0.569816119737407
Energy: 0.5036545827425347
Energy: 0.5065129691878545
Energy: 0.5013703932117203
Energy: 0.5065129691871635
Energy: 0.5059304410820484
Energy: 0.5537203234777457
Energy: 0.513886626796713
Energy: 0.5537203234777457
Energy: 0.5549986308561269
Energy: 0.5537220224488064
Energy: 0.5370886976117623
Energy: 0.5537220224501885
Energy: 0.5217834488826578
Energy: 0.5099755020627834
Energy: 0.5015198696397057
Energy: 0.5099755020641653
Energy: 0.48654958170261775
Energy: 0.5701541369414688
Energy: 0.4920045364223721
Energy: 0.5701541369414688
Energy: 0.5056227096712566
Energy: 0.5176078067868991
Energy: 0.5391577757020952
Energy: 0.5176078067862082
Energy: 0.49624162087084844
Energy: 0.5702687102814379
Energy: 0.4897336478070369
Energy: 0.5702687102821289
Energy: 0.521924982047826
Energy: 0.536328169210551
Energy: 0.5219254118248975
Energy: 0.5363281692098599
Energy: 0.49637576811197615
Energy: 0.5607100142015898
Energy: 0.5212002466459422
Energy: 0.5607100142008989
Energy: 0.5176924699386615
Energy: 0.5514933586407131
Energy: 0.5172685037380813
Energy: 0.5514933586414041
Energy: 0.5174054860522632
Energy: 0.5515366355767158
Energy: 0.5137133919387669
Energy: 0.551536635577407
Energy: 0.4964380396606952
Energy: 0.5606506374859539
Energy: 0.528798926920416
Energy: 0.5606506374866448
Energy: 0.5218582709137325
Energy: 0.5364112008212324
Energy: 0.5217799548411335
Energy: 0.5364112008212324
Energy: 0.49628087028426404
Energy: 0.5702208446925344
Energy: 0.4904840198231264
Energy: 0.5702208446925344
Energy: 0.505588860752974
Energy: 0.5176121138869478
Energy: 0.5392973515251691
Energy: 0.5176121138869478
Energy: 0.4866513803725153
Energy: 0.5700555792984701
Energy: 0.4937857431891025
Energy: 0.5700555792984701
Energy: 0.5218067672944031
Energy: 0.5096379006975605
Energy: 0.5080765383316351
Energy: 0.5096379006961784
Energy: 0.5549560360066833
Energy: 0.5536965154552456
Energy: 0.49274404943015515
Energy: 0.5536965154552456
Energy: 0.5035462911114109
Energy: 0.553743796753375
Energy: 0.5185530762919485
Energy: 0.5537437967540662
Energy: 0.5036448809636869
Energy: 0.5065998188120499
Energy: 0.5013452859057325
Energy: 0.5065998188113588
Energy: 0.5107840899700729
Energy: 0.5697806231834086
Energy: 0.5290093561850004
Energy: 0.5697806231827176
Energy: 0.5210732597999952
Energy: 0.547059978588818
Energy: 0.5217127112509867
Energy: 0.547059978589509
Energy: 0.558303236595764
Energy: 0.5691281478554953
Energy: 0.5670962689561522
Energy: 0.5691281478554953
Energy: 0.5210925616919401
Energy: 0.5470369203611741
Energy: 0.5217807249977287
Energy: 0.547036920364629
Energy: 0.5105083729744795
Energy: 0.569816119738098
Energy: 0.5107250403521182
Energy: 0.569816119737407
Energy: 0.5036545827425347
Energy: 0.5065129691871635
Energy: 0.5091427671960971
Energy: 0.5065129691871635

minimum gb energy = 0.48654958170261775 eV
minimum distance =  2.52835175038018 Angstroms
sigma value = 25


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

Energy: 0.5466660329188577
Energy: 0.5845457954152623
Energy: 0.6400738510439257
Energy: 0.5845457954152623
Energy: 0.5449268193398867
Energy: 0.5523585795264853
Energy: 0.524860829894306
Energy: 0.5523585795264853
Energy: 0.5276140452113185
Energy: 0.6127328858240468
Energy: 0.5258301328692228
Energy: 0.6127328858240468
Energy: 0.5182497911307246
Energy: 0.5327222730859849
Energy: 0.5200299469751734
Energy: 0.5327222730851816
Energy: 0.521649116893162
Energy: 0.5875325338769919
Energy: 0.5358381081933613
Energy: 0.5875325338769919
Energy: 0.5802491476806076
Energy: 0.6135360463745564
Energy: 0.5998823614429314
Energy: 0.6135360463745564
Energy: 0.5475930977401086
Energy: 0.5275264907978818
Energy: 0.5395804046656253
Energy: 0.5275264907962753
Energy: 0.6263001697623353
Energy: 0.5864310919849278
Energy: 0.5143816719437844
Energy: 0.5864310919857312
Energy: 0.5397627549108521
Energy: 0.5584003797566368
Energy: 0.5473284174565025
Energy: 0.5584003797558335
Energy: 0.5216937425014928
Energy: 0.6132576326117635
Energy: 0.5117784393079382
Energy: 0.6132576326117635
Energy: 0.5427076243728306
Energy: 0.5845249708168495
Energy: 0.5252951924901146
Energy: 0.5845249708168495
Energy: 0.540594815224941
Energy: 0.5845961588506785
Energy: 0.5258356168367182
Energy: 0.5845961588506785
Energy: 0.5240702507976429
Energy: 0.5711749810219139
Energy: 0.5111725568859982
Energy: 0.5711749810219139
Energy: 0.5400277139035891
Energy: 0.5597801051214614
Energy: 0.5472672399630477
Energy: 0.5597801051214614
Energy: 0.502470496572976
Energy: 0.5871355688589853
Energy: 0.5135539506721288
Energy: 0.5871355688589853
Energy: 0.5462809400853076
Energy: 0.5276584114600333
Energy: 0.5221209349347441
Energy: 0.5276584114600333
Energy: 0.5036440375515835
Energy: 0.6127839097299327
Energy: 0.497557048726608
Energy: 0.6127839097299327
Energy: 0.5199584909102254
Energy: 0.5648279542819439
Energy: 0.535333405979202
Energy: 0.5648279542811406
Energy: 0.5138149627996779
Energy: 0.5761815875755656
Energy: 0.5222329164933504
Energy: 0.5761815875755656
Energy: 0.5467832295684114
Energy: 0.6132889554674448
Energy: 0.5260862067245198
Energy: 0.6132889554674448
Energy: 0.5318884699494298
Energy: 0.5548808124152897
Energy: 0.5261244658027712
Energy: 0.5548808124144865
Energy: 0.5468441605802321
Energy: 0.5858205009379281
Energy: 0.5725393959745272
Energy: 0.5858205009379281
Energy: 0.5442267669636478
Energy: 0.5682818970250387
Energy: 0.5248042867800136
Energy: 0.5682818970250387
Energy: 0.5271992704124394
Energy: 0.6119921363904989
Energy: 0.5215384735687528
Energy: 0.6119921363904989
Energy: 0.5249331314301987
Energy: 0.5322736487707908
Energy: 0.5198668760952989
Energy: 0.5322736487699876

minimum gb energy = 0.497557048726608 eV
minimum distance =  2.5272496058915 Angstroms
sigma value = 9


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

Energy: 0.5981551777069516
Energy: 0.6123223548590919
Energy: 0.6775587547347655
Energy: 0.6123223548590919
Energy: 0.5731222601598761
Energy: 0.5922487320236001
Energy: 0.5546676201417248
Energy: 0.5922487320236001
Energy: 0.5426565584067932
Energy: 0.5610619339191015
Energy: 0.5548593639875896
Energy: 0.5610619339191015
Energy: 0.6060366649643413
Energy: 0.6234380957958303
Energy: 0.5491189891706088
Energy: 0.6234380957958303
Energy: 0.5854336087765057
Energy: 0.5814904328725169
Energy: 0.5719699642179953
Energy: 0.5814904328725169
Energy: 0.5232891846212164
Energy: 0.5611850575355882
Energy: 0.5496234187643819
Energy: 0.5611850575355882
Energy: 0.5735583939426714
Energy: 0.5317589972428749
Energy: 0.5317958625515414
Energy: 0.5317589972419167
Energy: 0.545272845442801
Energy: 0.5611634175139502
Energy: 0.5465559733892611
Energy: 0.5611634175139502
Energy: 0.5571907855010215
Energy: 0.5816683634929409
Energy: 0.5758034739081749
Energy: 0.5816683634929409
Energy: 0.5566684365838587
Energy: 0.6095495676583741
Energy: 0.5634514407558255
Energy: 0.6095495676583741
Energy: 0.5378157257529175
Energy: 0.600565776336066
Energy: 0.5558074343740245
Energy: 0.600565776336066
Energy: 0.5570188100655709
Energy: 0.5889484523241102
Energy: 0.5482572708974348
Energy: 0.5889484523241102
Energy: 0.5171016684459757
Energy: 0.5602957821762533
Energy: 0.51425066611476
Energy: 0.5602957821762533
Energy: 0.5692378512617458
Energy: 0.5455698357154715
Energy: 0.5454914667361846
Energy: 0.5455698357154715
Energy: 0.5171195683006101
Energy: 0.5609921365967531
Energy: 0.5143472633279405
Energy: 0.5609921365967531
Energy: 0.6228688739774504
Energy: 0.5890679316230454
Energy: 0.5335336505811636
Energy: 0.5890679316220871
Energy: 0.570431548232548
Energy: 0.581083794243387
Energy: 0.5565086115441126
Energy: 0.581083794243387
Energy: 0.5735963881444666
Energy: 0.6122671148573712
Energy: 0.5668439374678903
Energy: 0.6122671148573712
Energy: 0.5601927862564279
Energy: 0.5827140134932032
Energy: 0.5700790727911076
Energy: 0.5827140134932032
Energy: 0.5775137224561826
Energy: 0.5610801420475047
Energy: 0.5465757333066447
Energy: 0.5610801420475047
Energy: 0.5573762143380443
Energy: 0.5480205738869363
Energy: 0.5490171915090679
Energy: 0.5480205738869363

minimum gb energy = 0.51425066611476 eV
minimum distance =  2.58515567599289 Angstroms
sigma value = 25


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

Energy: 0.5332189421055845
Energy: 0.6448391032969083
Energy: 0.7230982074339611
Energy: 0.6448391032969083
Energy: 0.5153346088664017
Energy: 0.5610019164555884
Energy: 0.5028204237134947
Energy: 0.5610019164555884
Energy: 0.56907276312643
Energy: 0.6462890307445943
Energy: 0.5027800659449506
Energy: 0.6462890307445943
Energy: 0.595590124114993
Energy: 0.6316619263659106
Energy: 0.6004043959427912
Energy: 0.6316619263659106
Energy: 0.5990472750600456
Energy: 0.5154019694942787
Energy: 0.5623162488994967
Energy: 0.5154019694942787
Energy: 0.5045559521622781
Energy: 0.5862764077042587
Energy: 0.5685689385394483
Energy: 0.586276407711369
Energy: 0.5027766411872396
Energy: 0.5930702377518428
Energy: 0.5034224110717714
Energy: 0.5930702377518428
Energy: 0.5934543206095085
Energy: 0.6456985006843984
Energy: 0.533819345086468
Energy: 0.6456985006843984
Energy: 0.5028680202250585
Energy: 0.5609202637368113
Energy: 0.5167933493447002
Energy: 0.5609202637379964
Energy: 0.6348371925603131
Energy: 0.6174450682039357
Energy: 0.5683000599661646
Energy: 0.6174450682039357
Energy: 0.530943770359293
Energy: 0.6325249154488675
Energy: 0.6872089670474598
Energy: 0.6325249154476823
Energy: 0.502381257072718
Energy: 0.5464568081645312
Energy: 0.6271203820309927
Energy: 0.5464568081645312
Energy: 0.5930110069993735
Energy: 0.6523147728770647
Energy: 0.502034613236778
Energy: 0.6523147728770647
Energy: 0.5029296404995295
Energy: 0.5031683968679664
Energy: 0.5957794151662906
Energy: 0.5031683968679664
Energy: 0.5373949373325104
Energy: 0.6447009897349466
Energy: 0.6595894594338134
Energy: 0.6447009897349466
Energy: 0.5165426114810963
Energy: 0.5781439236773646
Energy: 0.5043561704647473
Energy: 0.5781439236773646
Energy: 0.5035267733400487
Energy: 0.5530715133101948
Energy: 0.6327954190231231
Energy: 0.5530715133101948

minimum gb energy = 0.502034613236778 eV
minimum distance =  2.62270595227329 Angstroms
sigma value = 17


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

Energy: 0.5790166644771577
Energy: 0.5793213160883781
Energy: 0.7247577463765832
Energy: 0.5793213160877069
Energy: 0.5951439836086092
Energy: 0.5525426792070848
Energy: 0.5175537029862942
Energy: 0.5525426792070848
Energy: 0.6397153194859738
Energy: 0.5709406563357736
Energy: 0.5165600162920819
Energy: 0.5709406563364449
Energy: 0.5658513797631864
Energy: 0.5838541282101547
Energy: 0.5685327633083566
Energy: 0.5838541282094836
Energy: 0.6306439225572672
Energy: 0.5577105990368761
Energy: 0.5449318350162542
Energy: 0.557710599036205
Energy: 0.529311438934165
Energy: 0.5860146674646193
Energy: 0.6042261716893167
Energy: 0.5860146674646193
Energy: 0.5180728455673668
Energy: 0.5782797005604773
Energy: 0.5538486124172136
Energy: 0.5782797005604773
Energy: 0.6011121065015433
Energy: 0.5856119640152208
Energy: 0.5303194633049538
Energy: 0.5856119640152208
Energy: 0.5352834975289156
Energy: 0.605228170216375
Energy: 0.6259084323644054
Energy: 0.6052281702157037
Energy: 0.6805388544957071
Energy: 0.5748718147443548
Energy: 0.5174721404526101
Energy: 0.5748718147443548
Energy: 0.5186931135453289
Energy: 0.5844498712062003
Energy: 0.6362474264081437
Energy: 0.5844498712062003
Energy: 0.5676352842491742
Energy: 0.5774329914833581
Energy: 0.5652066011349345
Energy: 0.5774329914833581
Energy: 0.6403808697126712
Energy: 0.5794013916171465
Energy: 0.5811934030377327
Energy: 0.5794013916171465
Energy: 0.5163318773039121
Energy: 0.654406551271129
Energy: 0.5941815074720447
Energy: 0.654406551271129
Energy: 0.5798892398402323
Energy: 0.5789752864747989
Energy: 0.5692905484778151
Energy: 0.5789752864747989
Energy: 0.5907572052730856
Energy: 0.5856200357046629
Energy: 0.600758168994322
Energy: 0.5856200357046629
Energy: 0.5536156844026108
Energy: 0.598839745781676
Energy: 0.6689917937531892
Energy: 0.598839745781676
Energy: 0.5764802126195347
Energy: 0.5713279396708476
Energy: 0.529240101607619
Energy: 0.5713279396708476
Energy: 0.5544221486776622
Energy: 0.601224077712794
Energy: 0.5490570112722252
Energy: 0.601224077712794
Energy: 0.5541745726340745
Energy: 0.5842621578467554
Energy: 0.5175345546452358
Energy: 0.584262157853467
Energy: 0.5577521286028942
Energy: 0.575927652469434
Energy: 0.602364696739763
Energy: 0.575927652469434
Energy: 0.518192519778313
Energy: 0.6236503948831088
Energy: 0.6750914089720772
Energy: 0.6236503948831088
Energy: 0.6156748799855136
Energy: 0.5851558561538844
Energy: 0.5158411865958324
Energy: 0.5851558561545557
Energy: 0.5647712991961216
Energy: 0.5803388885354676
Energy: 0.5888654381264016
Energy: 0.5803388885354676
Energy: 0.5687300468868645
Energy: 0.5761790340494701
Energy: 0.639647308729122
Energy: 0.5761790340494701
Energy: 0.6193976465236559
Energy: 0.5822183786840575
Energy: 0.5167666782052358
Energy: 0.5822183786847287
Energy: 0.5332446507498904
Energy: 0.6610442387476968
Energy: 0.6998448584960407
Energy: 0.6610442387483679
Energy: 0.6034923509358177
Energy: 0.5862615806550286
Energy: 0.6032563587713707
Energy: 0.5862615806550286
Energy: 0.6702053455859781
Energy: 0.6134031023269088
Energy: 0.5587573015215992
Energy: 0.6134031023262375
Energy: 0.5308278335611262
Energy: 0.600438522334574
Energy: 0.64492057165502
Energy: 0.600438522334574

minimum gb energy = 0.5158411865958324 eV
minimum distance =  2.51115770104762 Angstroms
sigma value = 53


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

Energy: 0.48152140600226195
Energy: 0.48171854336370634
Energy: 0.7463990794643452
Energy: 0.48171854336370634
Energy: 0.5927906400268478
Energy: 0.547176860939555
Energy: 0.5579066963543584
Energy: 0.5471768609411001
Energy: 0.49280633540005697
Energy: 0.48163683378578237
Energy: 0.4872971200971251
Energy: 0.48163683378578237
Energy: 0.49298116264464037
Energy: 0.48171891126130845
Energy: 0.4873065429146429
Energy: 0.4817189112597633
Energy: 0.610349293981659
Energy: 0.5470494320453166
Energy: 0.5898179555051377
Energy: 0.5470494320468618
Energy: 0.48152140600226195
Energy: 0.48171854336370634
Energy: 0.6955073952958627
Energy: 0.48171854336370634
Energy: 0.5927906400237575
Energy: 0.5471768609411001
Energy: 0.5974726253955543
Energy: 0.5471768609411001
Energy: 0.49280633540005697
Energy: 0.48163683378578237
Energy: 0.5458526675319256
Energy: 0.48163683378578237
Energy: 0.49298116264464037
Energy: 0.4817189112597633
Energy: 0.5645291912151432
Energy: 0.4817189112597633
Energy: 0.610349293981659
Energy: 0.5470494320468618
Energy: 0.6303400494109844
Energy: 0.5470494320468618
Energy: 0.48152140600226195
Energy: 0.48171854336370634
Energy: 0.6796562971462349
Energy: 0.48171854336370634
Energy: 0.5927906400222123
Energy: 0.5471768609411001
Energy: 0.5974726253955543
Energy: 0.5471768609411001
Energy: 0.4928063353985118
Energy: 0.48163683378578237
Energy: 0.5967712501661133
Energy: 0.48163683378578237

minimum gb energy = 0.48152140600226195 eV
minimum distance =  2.59759406027784 Angstroms
sigma value = 9


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

Energy: 0.537983218887729
Energy: 0.6911776398158995
Energy: 0.7520227782173762
Energy: 0.6911776398158995
Energy: 0.6693782540839668
Energy: 0.5662998164181069
Energy: 0.5467162988070156
Energy: 0.5662998164181069
Energy: 0.5438956743432727
Energy: 0.5296694122654395
Energy: 0.537553726025094
Energy: 0.5296694122642958
Energy: 0.6190071275477158
Energy: 0.6472048312446222
Energy: 0.5467695720422481
Energy: 0.6472048312440503
Energy: 0.6164153566204287
Energy: 0.5577836998801708
Energy: 0.5484959747915222
Energy: 0.5577836998801708
Energy: 0.5291841227402412
Energy: 0.5292077936314096
Energy: 0.6190211011629607
Energy: 0.5292077936314096
Energy: 0.7257186683301877
Energy: 0.5546290168387746
Energy: 0.5467384518590789
Energy: 0.5546290168399185
Energy: 0.5514768090470037
Energy: 0.6636824189349357
Energy: 0.6208745610207412
Energy: 0.6636824189349357
Energy: 0.5453102428735908
Energy: 0.6075967285067746
Energy: 0.5343455644282922
Energy: 0.6075967285073464
Energy: 0.5455198656879038
Energy: 0.5646968081172868
Energy: 0.5476761379568709
Energy: 0.5646968081172868
Energy: 0.5522617738489741
Energy: 0.6013736510310135
Energy: 0.7282744323421451
Energy: 0.6013736510310135
Energy: 0.6420919052637092
Energy: 0.6289600789334523
Energy: 0.5430862519545023
Energy: 0.6289600789334523
Energy: 0.5454717811867245
Energy: 0.6205831890667465
Energy: 0.6869176278990248
Energy: 0.6205831890667465
Energy: 0.6215233951014861
Energy: 0.6624882772105838
Energy: 0.5425421312332495
Energy: 0.6624882772105838
Energy: 0.5484093726073332
Energy: 0.6260772004332107
Energy: 0.6290352293712801
Energy: 0.6260772004332107
Energy: 0.5471080613450279
Energy: 0.6500626876400789
Energy: 0.6228910246586117
Energy: 0.6500626876389352
Energy: 0.5949612529791114
Energy: 0.6249365222322532
Energy: 0.5486880760642041
Energy: 0.6249365222322532
Energy: 0.5534998667156497
Energy: 0.5544621485219228
Energy: 0.6285438155564211
Energy: 0.5544621485219228
Energy: 0.6380449481930586
Energy: 0.6204080629141598
Energy: 0.5308903724832482
Energy: 0.6204080629135881
Energy: 0.5425404953816906
Energy: 0.574695553700665
Energy: 0.6092010690349973
Energy: 0.574695553700665
Energy: 0.6356749364117482
Energy: 0.6434945565955366
Energy: 0.6206575215773521
Energy: 0.6434945565961083
Energy: 0.5949908523638856
Energy: 0.6216757046082912
Energy: 0.5451661022494021
Energy: 0.6216757046088631
Energy: 0.5340406883247037
Energy: 0.6209296483041531
Energy: 0.5451387951797226
Energy: 0.6209296483041531
Energy: 0.7305206102623764
Energy: 0.6269910974652788
Energy: 0.5505601162033312
Energy: 0.626991097464707
Energy: 0.5466513893242555
Energy: 0.6386006885140367
Energy: 0.7158340570405514
Energy: 0.6386006885146087
Energy: 0.582305579205294
Energy: 0.5700530490699179
Energy: 0.5441673996034663
Energy: 0.5700530490699179
Energy: 0.632127228413795
Energy: 0.6352099984550487
Energy: 0.6180701762666257
Energy: 0.6352099984544768
Energy: 0.5451868779145247
Energy: 0.6625273166555941
Energy: 0.6185106501236857
Energy: 0.6625273166550223
Energy: 0.5730541307217906
Energy: 0.5293181164250615
Energy: 0.5437952554524079
Energy: 0.5293181164250615
Energy: 0.5463899614161604
Energy: 0.6385785884515695
Energy: 0.6877605830856371
Energy: 0.6385785884509977
Energy: 0.690182669909684
Energy: 0.6401522377517973
Energy: 0.550030123271975
Energy: 0.6401522377517973
Energy: 0.5298974390694322
Energy: 0.5556856452163442
Energy: 0.5444454179949687
Energy: 0.5556856452157725
Energy: 0.530447081576156
Energy: 0.6026492805599624
Energy: 0.547598447867672
Energy: 0.6026492805599624
Energy: 0.6253622467310817
Energy: 0.6435530918648689
Energy: 0.6192803118451043
Energy: 0.6435530918648689
Energy: 0.5531425584491481
Energy: 0.6407332999807358
Energy: 0.7225058309333211
Energy: 0.6407332999807358

minimum gb energy = 0.5291841227402412 eV
minimum distance =  2.54373156155263 Angstroms
sigma value = 73


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

Energy: 0.5727699878194853
Energy: 0.5736084803730328
Energy: 0.7593802928138318
Energy: 0.5736084803739401
Energy: 0.6170896796996708
Energy: 0.578003671805395
Energy: 0.5571809406753481
Energy: 0.578003671805395
Energy: 0.5565070887833072
Energy: 0.5603546883095472
Energy: 0.5339031355140992
Energy: 0.5603546883104545
Energy: 0.5522709545302571
Energy: 0.5538845689918919
Energy: 0.580542506561052
Energy: 0.5538845689927991
Energy: 0.5835670570820194
Energy: 0.5841685848509314
Energy: 0.5942385721690903
Energy: 0.5841685848509314
Energy: 0.5666085123000901
Energy: 0.5442329024232795
Energy: 0.669311160996329
Energy: 0.5442329024232795
Energy: 0.7215261351119324
Energy: 0.6177644378405749
Energy: 0.5569876026518518
Energy: 0.6177644378405749
Energy: 0.5473851271788757
Energy: 0.5267038559866822
Energy: 0.6870425001355226
Energy: 0.5267038559866822
Energy: 0.6957833766531606
Energy: 0.5271193601557912
Energy: 0.5266538749661193
Energy: 0.5271193601557912
Energy: 0.5559430473917564
Energy: 0.6144245443161533
Energy: 0.5585052788421749
Energy: 0.6144245443161533
Energy: 0.5469207853603861
Energy: 0.5606235624150958
Energy: 0.6655523327039934
Energy: 0.5606235624150958
Energy: 0.6239113725108484
Energy: 0.5532463123782325
Energy: 0.5521614302240097
Energy: 0.553246312377325
Energy: 0.5535630347204845
Energy: 0.5633771010580606
Energy: 0.6359543495948716
Energy: 0.5633771010580606
Energy: 0.6904787192532096
Energy: 0.6084793686199693
Energy: 0.566014548675992
Energy: 0.6084793686199693
Energy: 0.5470381238520932
Energy: 0.6448150482118532
Energy: 0.6689547364572443
Energy: 0.6448150482118532
Energy: 0.6596817713903494
Energy: 0.5816939939877017
Energy: 0.5474269435640433
Energy: 0.5816939939877017
Energy: 0.5734966598261381
Energy: 0.5734436465374052
Energy: 0.5558568390891839
Energy: 0.5734436465374052
Energy: 0.5736006391114219
Energy: 0.5741533392779449
Energy: 0.5682075103062884
Energy: 0.5741533392779449
Energy: 0.6179205361794242
Energy: 0.5270182736139495
Energy: 0.5460242393112428
Energy: 0.5270182736139495
Energy: 0.5559438565196043
Energy: 0.6049125610844073
Energy: 0.7310250663694979
Energy: 0.6049125610853147
Energy: 0.6802211419391287
Energy: 0.5643170070456413
Energy: 0.5653817698362942
Energy: 0.564317007044734
Energy: 0.5806052222481861
Energy: 0.5838788068053612
Energy: 0.6165557016434723
Energy: 0.5838788068053612

minimum gb energy = 0.5266538749661193 eV
minimum distance =  2.56459230720723 Angstroms
sigma value = 7


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

Energy: 0.5453340278967387
Energy: 0.5461252912078333
Energy: 0.7592895393120519
Energy: 0.5461252912078333
Energy: 0.7092191119288613
Energy: 0.5718688116418862
Energy: 0.5608951265755092
Energy: 0.5718688116412446
Energy: 0.5471237768495159
Energy: 0.5465719405662967
Energy: 0.5462003453687878
Energy: 0.5465719405650136
Energy: 0.5881448215016155
Energy: 0.5796304350294156
Energy: 0.5722998588916165
Energy: 0.579630435028774
Energy: 0.5549694398431884
Energy: 0.5778730647400177
Energy: 0.544473652659545
Energy: 0.5778730647400177
Energy: 0.5489218784555419
Energy: 0.5854936390791791
Energy: 0.6924724377468082
Energy: 0.5854936390791791
Energy: 0.6553492521468051
Energy: 0.6492204738920475
Energy: 0.5725396693356077
Energy: 0.6492204738894812
Energy: 0.5490502854830741
Energy: 0.5464925630558801
Energy: 0.7357088502250126
Energy: 0.5464925630565216
Energy: 0.6246880951927378
Energy: 0.5727115336705899
Energy: 0.5571050737968768
Energy: 0.5727115336705899
Energy: 0.5540707172730318
Energy: 0.5816147196153569
Energy: 0.6343678738605245
Energy: 0.5816147196153569
Energy: 0.5723135056313722
Energy: 0.5849145065058294
Energy: 0.5977229229199249
Energy: 0.5849145065039046
Energy: 0.5473116900898201
Energy: 0.5779628388610724
Energy: 0.5747908791952167
Energy: 0.5779628388604309
Energy: 0.5463974878756488
Energy: 0.5464697305958948
Energy: 0.5920581958432211
Energy: 0.5464697305958948
Energy: 0.5661924117415391
Energy: 0.5429475597517526
Energy: 0.5902914196961472
Energy: 0.5429475597523942
Energy: 0.5526224213160771
Energy: 0.6437629113416693
Energy: 0.671629662601291
Energy: 0.6437629113416693
Energy: 0.7493008634866627
Energy: 0.5429353448653618
Energy: 0.5549152646386962
Energy: 0.5429353448653618
Energy: 0.5671679472428145
Energy: 0.5907560362184829
Energy: 0.6407273351680313
Energy: 0.5907560362184829
Energy: 0.547009251117195
Energy: 0.6345038050932686
Energy: 0.5736052467239723
Energy: 0.6345038050932686
Energy: 0.5671048432705469
Energy: 0.5856947140484418
Energy: 0.5971529755295103
Energy: 0.5856947140478002
Energy: 0.5539409404478315
Energy: 0.5763698740318569
Energy: 0.5756705787097841
Energy: 0.5763698740318569
Energy: 0.5879907852683868
Energy: 0.5601147766427821
Energy: 0.5571866050160128
Energy: 0.5601147766434236
Energy: 0.5546128201897425
Energy: 0.634716359921566
Energy: 0.628563807949303
Energy: 0.6347163599209243
Energy: 0.6909822279560524
Energy: 0.5742578755389719
Energy: 0.5972282678712303
Energy: 0.5742578755396136
Energy: 0.5479869892885161
Energy: 0.5462774612823342
Energy: 0.6957081215263872
Energy: 0.5462774612823342
Energy: 0.5968828963669781
Energy: 0.5766246874093407
Energy: 0.5727814419364123
Energy: 0.5766246874086991
Energy: 0.5881457898217965
Energy: 0.5848899730509248
Energy: 0.5714913847398188
Energy: 0.5848899730509248
Energy: 0.554830684257312
Energy: 0.5829869789118346
Energy: 0.544936227081751
Energy: 0.5829869789124761
Energy: 0.5877499016042843
Energy: 0.59052891037418
Energy: 0.5731790483483389
Energy: 0.59052891037418
Energy: 0.5465363054594795
Energy: 0.5464514275160911
Energy: 0.5923850249732657
Energy: 0.5464514275160911
Energy: 0.6409066718879862
Energy: 0.5737489831834277
Energy: 0.5608571094823257
Energy: 0.5737489831827862
Energy: 0.5464059997498903
Energy: 0.5466726258327264
Energy: 0.5926818770845634
Energy: 0.546672625833368

minimum gb energy = 0.5429353448653618 eV
minimum distance =  2.56011275390834 Angstroms
sigma value = 29


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

Energy: 0.5234645643756436
Energy: 0.537690673542478
Energy: 0.7732460985778612
Energy: 0.5376906735429001
Energy: 0.5984015625109539
Energy: 0.5242277995373533
Energy: 0.5685802745967891
Energy: 0.5242305086328884
Energy: 0.5853105528425656
Energy: 0.5429392369023542
Energy: 0.5442014724841341
Energy: 0.5429392369014852
Energy: 0.5234049088504222
Energy: 0.5101930394617539
Energy: 0.568554561809842
Energy: 0.5101930394573836
Energy: 0.5236636442307726
Energy: 0.5385824557779468
Energy: 0.569711132972474
Energy: 0.5385824557781453
Energy: 0.5628514438558897
Energy: 0.5421526940719105
Energy: 0.5628601903554284
Energy: 0.5421526940714635
Energy: 0.5853169600787016
Energy: 0.5381913690209169
Energy: 0.5236225803384708
Energy: 0.5381913690209169
Energy: 0.5685682749755273
Energy: 0.5102731957469465
Energy: 0.5255205069594311
Energy: 0.5102731956139257
Energy: 0.5440875186146166
Energy: 0.5429497867766131
Energy: 0.6303997084972177
Energy: 0.5429497867770602

minimum gb energy = 0.5101930394573836 eV
minimum distance =  2.61580929285699 Angstroms
sigma value = 5


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

Energy: 0.5144760872160442
Energy: 0.5282701642548645
Energy: 0.7737482020157359
Energy: 0.5282701642548645
Energy: 0.603007642353794
Energy: 0.5467372491483381
Energy: 0.5247568532054381
Energy: 0.5467372491471258
Energy: 0.506847212989545
Energy: 0.5274934388567928
Energy: 0.627499429595205
Energy: 0.5274934388573987
Energy: 0.523271672916381
Energy: 0.5437352358410645
Energy: 0.5074623909854965
Energy: 0.5437352358410645
Energy: 0.5078841540828892
Energy: 0.546663783053878
Energy: 0.6022365243774065
Energy: 0.546663783054484
Energy: 0.5666362686746916
Energy: 0.5806066311690385
Energy: 0.5058476431868175
Energy: 0.5806066311690385
Energy: 0.5063435480082062
Energy: 0.5444834357624295
Energy: 0.5033913708068292
Energy: 0.5444834357630356
Energy: 0.5050070960733906
Energy: 0.5803810753437751
Energy: 0.5088612126388752
Energy: 0.5803810753437751
Energy: 0.5086624536226819
Energy: 0.5461270440811843
Energy: 0.5117820981943458
Energy: 0.5461270440823963
Energy: 0.5060729069867613
Energy: 0.5445838277585653
Energy: 0.5076783967693198
Energy: 0.5445838277585653
Energy: 0.5272311317383177
Energy: 0.5808530052633177
Energy: 0.5074730615427774
Energy: 0.5808530052627118
Energy: 0.5202630233848845
Energy: 0.5554417799488727
Energy: 0.5288520670892491
Energy: 0.5554417799488727
Energy: 0.5673243460647724
Energy: 0.528554911131115
Energy: 0.5285950344556368
Energy: 0.528554911131721
Energy: 0.5149250966176314
Energy: 0.5289913386971714
Energy: 0.5722813892243056
Energy: 0.5289913386971714
Energy: 0.6402467656573849
Energy: 0.5452918973621126
Energy: 0.5076340449275238
Energy: 0.5452918973621126
Energy: 0.5062762313034305
Energy: 0.5271722987028948
Energy: 0.5661197592653859
Energy: 0.5271722987028948
Energy: 0.5998197435085668
Energy: 0.5173652154105147
Energy: 0.516354000645987
Energy: 0.5173652154105147
Energy: 0.5082054666463356
Energy: 0.5283929628769476
Energy: 0.6412313724804004
Energy: 0.5283929628769476
Energy: 0.5032216556512846
Energy: 0.5456315300164788
Energy: 0.5027990074552506
Energy: 0.5456315300164788
Energy: 0.508385786725494
Energy: 0.6143498205194506
Energy: 0.5151845328909893
Energy: 0.6143498205194506
Energy: 0.514807949223588
Energy: 0.543178222774948
Energy: 0.5096291900097061
Energy: 0.543178222774948
Energy: 0.5251955692042091
Energy: 0.5446602495985037
Energy: 0.5037345020947133
Energy: 0.5446602495978975
Energy: 0.509659674439409
Energy: 0.5290040761851
Energy: 0.5076635703826359
Energy: 0.5290040761851
Energy: 0.5280282058240418
Energy: 0.5268785374410264
Energy: 0.5075643462459088
Energy: 0.5268785374410264
Energy: 0.5331107498269746
Energy: 0.5202355699601948
Energy: 0.5092528279846169
Energy: 0.520235569959589
Energy: 0.5208229857460941
Energy: 0.5288730919854081
Energy: 0.5087212700035144
Energy: 0.5288730919854081
Energy: 0.5097395613741293
Energy: 0.5415508495417896
Energy: 0.516898769382572
Energy: 0.5415508495417896
Energy: 0.5820704658972187
Energy: 0.5475578698016329
Energy: 0.506227997883889
Energy: 0.5475578698022391
Energy: 0.5129916166875076
Energy: 0.5079822853198579
Energy: 0.7117146541221968
Energy: 0.5079822853192518
Energy: 0.6262327986907038
Energy: 0.5281777477332759
Energy: 0.5081273547909071
Energy: 0.5281777477326698
Energy: 0.505449936497916
Energy: 0.5154195151517146
Energy: 0.6176922520575273
Energy: 0.5154195151517146
Energy: 0.6030602784276767
Energy: 0.5589810599763126
Energy: 0.5068334303359149
Energy: 0.5589810599763126
Energy: 0.5080019661031037
Energy: 0.5503021307302344
Energy: 0.5129129768350513
Energy: 0.5503021307284163

minimum gb energy = 0.5027990074552506 eV
minimum distance =  2.55706083921724 Angstroms
sigma value = 1


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

Energy: 0.5023880071900224
Energy: 0.5028839820397416
Energy: 0.787268789268774
Energy: 0.5028839820397416
Energy: 0.5295597922536073
Energy: 0.5149114152137517
Energy: 0.48774269948364213
Energy: 0.5149114152137517
Energy: 0.4794058520035342
Energy: 0.5033307053565461
Energy: 0.5796611433229508
Energy: 0.5033307053565461
Energy: 0.5288889925009757
Energy: 0.5283794036477141
Energy: 0.4795114205360922
Energy: 0.5283794036477141
Energy: 0.479377940792932
Energy: 0.5431661628399821
Energy: 0.6044459873714023
Energy: 0.5431661628391442
Energy: 0.47968103296390735
Energy: 0.5029467587900859
Energy: 0.4795709294740252
Energy: 0.5029467587900859
Energy: 0.47943491480464284
Energy: 0.5433394276332669
Energy: 0.5056746693316542
Energy: 0.5433394276332669
Energy: 0.47961522625994324
Energy: 0.5770907484681763
Energy: 0.518841285513677
Energy: 0.5770907484681763
Energy: 0.5026625843958724
Energy: 0.4963995153898869
Energy: 0.5092777604097474
Energy: 0.4963995153898869
Energy: 0.5026135878128237
Energy: 0.49627896379944947
Energy: 0.5183518601333504
Energy: 0.49627896380110637
Energy: 0.4798823511868719
Energy: 0.5769446544659813
Energy: 0.4947565518351987
Energy: 0.5769446544659813
Energy: 0.4794723203237639
Energy: 0.5434324615427072
Energy: 0.5058916011976097
Energy: 0.5434324615427072
Energy: 0.4799483469112622
Energy: 0.5030289269725807
Energy: 0.4795613565096841
Energy: 0.5030289269725807
Energy: 0.4794624302878105
Energy: 0.5429626842589689
Energy: 0.6083620070207674
Energy: 0.5429626842589689
Energy: 0.5291108284798043
Energy: 0.5283627408702601
Energy: 0.4796350314687972
Energy: 0.5283627408702601
Energy: 0.47931008434847444
Energy: 0.5031266655699149
Energy: 0.6544048224800196
Energy: 0.5031266655707529
Energy: 0.5291517369043484
Energy: 0.5151618518510044
Energy: 0.487724197682289
Energy: 0.5151618518501664
Energy: 0.5023880071900224
Energy: 0.5028839820397416
Energy: 0.6712253390487934
Energy: 0.5028839820397416
Energy: 0.5295597922552833
Energy: 0.5149114152137517
Energy: 0.48774269948364213
Energy: 0.5149114152145896
Energy: 0.4794058520035342
Energy: 0.5033307053573841
Energy: 0.7067869940230804
Energy: 0.5033307053573841
Energy: 0.5288889925001377
Energy: 0.5283794036477141
Energy: 0.4795114205360922
Energy: 0.5283794036477141
Energy: 0.479377940792932
Energy: 0.5431661628399821
Energy: 0.5941576473584763
Energy: 0.5431661628399821
Energy: 0.47968103296306935
Energy: 0.5029467587900859
Energy: 0.4795709294740252
Energy: 0.5029467587900859
Energy: 0.47943491480464284
Energy: 0.5433394276332669
Energy: 0.4888187496198679
Energy: 0.5433394276332669

minimum gb energy = 0.47931008434847444 eV
minimum distance =  2.57476146415005 Angstroms
sigma value = 17


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

Energy: 0.503574464206454
Energy: 0.503945206929054
Energy: 0.7833712469771716
Energy: 0.503945206929054
Energy: 0.5740299684861427
Energy: 0.4970865707483895
Energy: 0.48933886466809595
Energy: 0.49708657074942536
Energy: 0.4865232768119443
Energy: 0.49954671379803106
Energy: 0.6098344068491983
Energy: 0.499546713798549
Energy: 0.546734478870965
Energy: 0.5862464508005077
Energy: 0.48626329093811443
Energy: 0.5862464507999897
Energy: 0.4905969642773467
Energy: 0.5310353184996627
Energy: 0.6289089499833336
Energy: 0.5310353184996627
Energy: 0.503658216992609
Energy: 0.59361506639153
Energy: 0.4914158200902815
Energy: 0.59361506639153
Energy: 0.499090225680959
Energy: 0.5237459325182423
Energy: 0.5000151830318139
Energy: 0.5237459325192781
Energy: 0.49900586121681834
Energy: 0.5994426756542858
Energy: 0.4878006229708007
Energy: 0.5994426756537679
Energy: 0.5065239938040943
Energy: 0.5968311230609074
Energy: 0.5218876534163343
Energy: 0.5968311230614253
Energy: 0.5082693880547255
Energy: 0.597824566489219
Energy: 0.49341657569350406
Energy: 0.597824566489219
Energy: 0.48954181002412245
Energy: 0.5889562929199
Energy: 0.4909230856883011
Energy: 0.5889562929183463
Energy: 0.4841537198604257
Energy: 0.5177767230968263
Energy: 0.481798060555006
Energy: 0.5177767230968263
Energy: 0.5016151634497749
Energy: 0.5937014394019364
Energy: 0.4902142442704757
Energy: 0.5937014394019364
Energy: 0.49477551131310554
Energy: 0.5302926409036705
Energy: 0.5042205038519595
Energy: 0.5302926409052242
Energy: 0.4908661724736937
Energy: 0.5889274326364982
Energy: 0.5090711685295468
Energy: 0.588927432636969
Energy: 0.49105789088406165
Energy: 0.49997100313787474
Energy: 0.6224882461991229
Energy: 0.49997100313891063
Energy: 0.5142600938290659
Energy: 0.5886015139937817
Energy: 0.4901035010144243
Energy: 0.5886015139932638
Energy: 0.48337210733185404
Energy: 0.5045042151823854
Energy: 0.5182687070519
Energy: 0.5045042151813496
Energy: 0.5656355575208186
Energy: 0.5201496146280873
Energy: 0.48912674575676374
Energy: 0.5201496146348206
Energy: 0.4884111326663669
Energy: 0.4999170351042148
Energy: 0.6063937214961258
Energy: 0.4999170351042148
Energy: 0.6652232335695206
Energy: 0.49323264848050935
Energy: 0.4975370793863857
Energy: 0.4932326484784376
Energy: 0.49788371291465333
Energy: 0.504471941326396
Energy: 0.5888313833137996
Energy: 0.5044719413238063
Energy: 0.5585208943583198
Energy: 0.5907821733849373
Energy: 0.48967553172222605
Energy: 0.5907821733864911
Energy: 0.48913031783664307
Energy: 0.5247226641672839
Energy: 0.5726824857407655
Energy: 0.5247226641672839
Energy: 0.5357348991491014
Energy: 0.5548140249967709
Energy: 0.48460748626810785
Energy: 0.554814024996253
Energy: 0.4914558212863342
Energy: 0.5309164747605686
Energy: 0.514017246414353
Energy: 0.5309164747605686
Energy: 0.5642671789959154
Energy: 0.5962541637365988
Energy: 0.4920782398998652
Energy: 0.5962541637376345
Energy: 0.5118456911600945
Energy: 0.5891275252125698
Energy: 0.48876284826824684
Energy: 0.5891275252115339
Energy: 0.5041112092076082
Energy: 0.5300366017908074
Energy: 0.4969342305618449
Energy: 0.5300366017908074
Energy: 0.49126446657921774
Energy: 0.5938852840022799
Energy: 0.5283500346162718
Energy: 0.593885284000726
Energy: 0.48863863961175014
Energy: 0.5293404373048303
Energy: 0.4839268838495272
Energy: 0.5293404373053481
Energy: 0.4890228291592695
Energy: 0.5890718223254753
Energy: 0.48961625119495417
Energy: 0.5890718223259932
Energy: 0.49201192273994543
Energy: 0.5986919631806185
Energy: 0.5763676257363081
Energy: 0.5986919631811364
Energy: 0.524885701728795
Energy: 0.5961291490109103
Energy: 0.4949768530526118
Energy: 0.5961291490119461
Energy: 0.4871872180035793
Energy: 0.5047044466923621
Energy: 0.5141171694327772
Energy: 0.5047044466918442
Energy: 0.5240263349817963
Energy: 0.52456136693965
Energy: 0.4998437504286679
Energy: 0.52456136693965
Energy: 0.48962739405741956
Energy: 0.5954014392038729
Energy: 0.5049846530161344
Energy: 0.5954014392028371
Energy: 0.6285400180224632
Energy: 0.5317558196554036
Energy: 0.4906975558555039
Energy: 0.5317558196548857

minimum gb energy = 0.481798060555006 eV
minimum distance =  2.56236477591646 Angstroms
sigma value = 89


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

Energy: 0.4402686614264415
Energy: 0.44051655344802143
Energy: 0.8037068586857923
Energy: 0.44051655344802143
Energy: 0.4408924663454286
Energy: 0.4536200938785482
Energy: 0.45045096915709065
Energy: 0.4536200938785482
Energy: 0.448743358182299
Energy: 0.5139975680928173
Energy: 0.788169671937577
Energy: 0.5139975680928173
Energy: 0.46228180287290027
Energy: 0.45357838050909327
Energy: 0.45052468676445206
Energy: 0.45357838050909327
Energy: 0.4487838232376221
Energy: 0.48070451401395736
Energy: 0.607420333266222
Energy: 0.48070451401395736
Energy: 0.44885344932418975
Energy: 0.4407227002176906
Energy: 0.4423662428542144
Energy: 0.4407227002176906
Energy: 0.44895233818359737
Energy: 0.5157879153237019
Energy: 0.44069881907089226
Energy: 0.5157879153237019
Energy: 0.4606090756254914
Energy: 0.5140459419195375
Energy: 0.4504626457495929
Energy: 0.5140459419195375
Energy: 0.44896709004324253
Energy: 0.48076887298691856
Energy: 0.4627962829090695
Energy: 0.48076887298691856
Energy: 0.45362360124606227
Energy: 0.4789531898644039
Energy: 0.4488956481016392
Energy: 0.4789531898644039
Energy: 0.44027710278682775
Energy: 0.4536648488839363
Energy: 0.4487244000753696
Energy: 0.4536648488839363
Energy: 0.4404518325074497
Energy: 0.5138336866518917
Energy: 0.45046198583667346
Energy: 0.5138336866518917
Energy: 0.44936736182995746
Energy: 0.4406669720739449
Energy: 0.46243477461258303
Energy: 0.4406669720739449
Energy: 0.4489621508935195
Energy: 0.47898344299021833
Energy: 0.44899087113757175
Energy: 0.47898344299021833
Energy: 0.4685280322740879
Energy: 0.44144505073504936
Energy: 0.44879627655418525
Energy: 0.4414450507364045

minimum gb energy = 0.4402686614264415 eV
minimum distance =  2.59302557282678 Angstroms
sigma value = 13


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

Energy: 0.45180385227748465
Energy: 0.43513172458047567
Energy: 0.7913008052282557
Energy: 0.43513172457877164
Energy: 0.5256463501150402
Energy: 0.4447840822688119
Energy: 0.43508061068736753
Energy: 0.44478408227051586
Energy: 0.43531259048025506
Energy: 0.43547681391357407
Energy: 0.5345402888350305
Energy: 0.43547681391243803
Energy: 0.43550481892647414
Energy: 0.4447565384389337
Energy: 0.43249957382358967
Energy: 0.44475653844063767
Energy: 0.4419108013777233
Energy: 0.4652396901217051
Energy: 0.4763346915655759
Energy: 0.46523969012511307
Energy: 0.441285114299259
Energy: 0.4465725556900834
Energy: 0.4429623977839013
Energy: 0.44657255569121945
Energy: 0.4418877983812677
Energy: 0.4462667079841099
Energy: 0.6490023899086399
Energy: 0.4462667079835419
Energy: 0.4366796984297518
Energy: 0.44528153041085333
Energy: 0.4428066537956769
Energy: 0.44528153041198937
Energy: 0.44162132609592825
Energy: 0.4632008799271968
Energy: 0.5565623134495028
Energy: 0.4632008799266288
Energy: 0.5240381653197883
Energy: 0.47289348348602894
Energy: 0.43232441181204523
Energy: 0.47289348348659693
Energy: 0.44116574849534385
Energy: 0.47375989868600854
Energy: 0.45393163851893215
Energy: 0.4737598986865766
Energy: 0.579441599313533
Energy: 0.47289534174235903
Energy: 0.43689210306619286
Energy: 0.472895341740655
Energy: 0.4587943146972612
Energy: 0.4430312533352749
Energy: 0.4444801240001486
Energy: 0.4430312533347069
Energy: 0.6004123157283042
Energy: 0.4732217869357937
Energy: 0.43662403193371535
Energy: 0.4732217869374977
Energy: 0.44149586608391633
Energy: 0.4348754044748268
Energy: 0.4423480469545726
Energy: 0.4348754044748268
Energy: 0.43721409771932535
Energy: 0.47365492035567586
Energy: 0.4310772646809991
Energy: 0.4736549203528358
Energy: 0.44496012957521913
Energy: 0.4615495838116777
Energy: 0.43101888425672197
Energy: 0.4615495838116777
Energy: 0.4525836774147288
Energy: 0.46189486685316644
Energy: 0.4413459458204537
Energy: 0.4618948668537345
Energy: 0.4447580997079239
Energy: 0.4456648314960996
Energy: 0.44169735529097826
Energy: 0.4456648314966676
Energy: 0.4448344495331148
Energy: 0.4454108368203845
Energy: 0.4413490398988263
Energy: 0.4454108368198165
Energy: 0.4526052153064097
Energy: 0.4619566403507313
Energy: 0.44160599786506166
Energy: 0.4619566403507313
Energy: 0.44491260263266613
Energy: 0.46145586894670115
Energy: 0.43120508555162035
Energy: 0.46145586894670115
Energy: 0.43706798943381253
Energy: 0.47360924997358145
Energy: 0.4309809186627579
Energy: 0.47360924997244547
Energy: 0.44118442760042625
Energy: 0.43461862232232923
Energy: 0.4602197269114681
Energy: 0.43461862232232923
Energy: 0.600307744979448
Energy: 0.47315179411997027
Energy: 0.4368606192092863
Energy: 0.4731517941188343
Energy: 0.45870266411117244
Energy: 0.4429923302288367
Energy: 0.4468569029194043
Energy: 0.4429923302294047
Energy: 0.578945993705723
Energy: 0.47291849577542694
Energy: 0.4368426506628533
Energy: 0.4729184957771309
Energy: 0.4413470200230104
Energy: 0.4737860555839856
Energy: 0.4537847903426085
Energy: 0.4737860555845536
Energy: 0.5239413152276795
Energy: 0.47286979112336663
Energy: 0.43237777494712015
Energy: 0.4728697911239346
Energy: 0.44176458780596967
Energy: 0.46314447512892043
Energy: 0.5901373912973944
Energy: 0.46314447512608037
Energy: 0.43619511107754755
Energy: 0.44564096522074853
Energy: 0.44279293497153366
Energy: 0.4456409652213165
Energy: 0.4417320110658175
Energy: 0.4459021245333931
Energy: 0.64916407949751
Energy: 0.44590212453282513
Energy: 0.4397703821846142
Energy: 0.44646520233350784
Energy: 0.4428762039805667
Energy: 0.4464652023329398
Energy: 0.4418050815429909
Energy: 0.4652419478242597
Energy: 0.4743057035242215
Energy: 0.46524194782369166
Energy: 0.4354948459778245
Energy: 0.44493042122855725
Energy: 0.4323253186046517
Energy: 0.44493042122742127

minimum gb energy = 0.4309809186627579 eV
minimum distance =  2.59758866603503 Angstroms
sigma value = 37


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

Energy: 0.4856980782298298
Energy: 0.4310019685063841
Energy: 0.7980656431521614
Energy: 0.4310019685063841
Energy: 0.5249047333178423
Energy: 0.5507923693515044
Energy: 0.406300721474302
Energy: 0.5507923693515044
Energy: 0.4643274277147127
Energy: 0.6775078951545264
Energy: 0.5641207550671937
Energy: 0.6775078951545264
Energy: 0.4744324226569289
Energy: 0.4142785151953479
Energy: 0.40698627683807087
Energy: 0.4142785151943707
Energy: 0.40556966502211944
Energy: 0.4142686571266657
Energy: 0.5327125257847469
Energy: 0.4142686571266657
Energy: 0.42510861013335616
Energy: 0.5510308793379438
Energy: 0.4659370069340717
Energy: 0.5510308793379438
Energy: 0.39996622585372604
Energy: 0.7066992032858187
Energy: 0.5889017969638545
Energy: 0.7066992032867959
Energy: 0.3999832556577028
Energy: 0.4144554402365004
Energy: 0.41604820877286997
Energy: 0.4144554402365004
Energy: 0.4068821947602322
Energy: 0.5507642136077603
Energy: 0.5916596037784808
Energy: 0.5507642136077603
Energy: 0.5639587663668569
Energy: 0.4549621076066018
Energy: 0.46587927831373094
Energy: 0.45496210760757905
Energy: 0.4057503647654556
Energy: 0.5888947226860356
Energy: 0.4735693081560112
Energy: 0.5888947226870128
Energy: 0.5404463761276285
Energy: 0.4143799446159823
Energy: 0.40742668129686577
Energy: 0.4143799446159823
Energy: 0.46479323223551167
Energy: 0.5508431336496749
Energy: 0.41850571414913457
Energy: 0.5508431336496749
Energy: 0.5897026435235587
Energy: 0.6891636012567699
Energy: 0.399901220145135
Energy: 0.6891636012567699
Energy: 0.4859458978627216
Energy: 0.43670941757470433
Energy: 0.3999980359080025
Energy: 0.4367094175756816
Energy: 0.48617473707659387
Energy: 0.5506807604290185
Energy: 0.4064352868701338
Energy: 0.5506807604290185
Energy: 0.4649830525172513
Energy: 0.45468449971237423
Energy: 0.412118744576459
Energy: 0.45468449971237423
Energy: 0.46471992551177177
Energy: 0.5888510275950996
Energy: 0.40533462683737487
Energy: 0.5888510275950996
Energy: 0.40542080910076933
Energy: 0.41433775033385883
Energy: 0.4054120071335494
Energy: 0.41433775033385883
Energy: 0.40564492318432627
Energy: 0.5508200070483527
Energy: 0.46468768316418757
Energy: 0.5508200070483527

minimum gb energy = 0.399901220145135 eV
minimum distance =  2.57358344289189 Angstroms
sigma value = 25


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

Energy: 0.4484128868843958
Energy: 0.6120777768669063
Energy: 0.7892905059282055
Energy: 0.6120777768661433
Energy: 0.5921046544179208
Energy: 0.38799011721282795
Energy: 0.37609108460385254
Energy: 0.38799011721282795
Energy: 0.42324260881412945
Energy: 0.3801481002170732
Energy: 0.5028269067900204
Energy: 0.3801481002170732
Energy: 0.5095158318759868
Energy: 0.3924035664126034
Energy: 0.378329959166228
Energy: 0.3924035664148926
Energy: 0.38234230857281193
Energy: 0.3833309303397961
Energy: 0.46838923510725405
Energy: 0.38333093034132226
Energy: 0.4150373372157744
Energy: 0.3804469769007424
Energy: 0.3841709063090146
Energy: 0.3804469768976901
Energy: 0.3764434453373967
Energy: 0.372554095203755
Energy: 0.5865628223967793
Energy: 0.37255409520451804
Energy: 0.3725953499342213
Energy: 0.5548947324026616
Energy: 0.42420018634844225
Energy: 0.5548947324026616
Energy: 0.37592843138005366
Energy: 0.6099660517081448
Energy: 0.6356813862588363
Energy: 0.6099660517081448
Energy: 0.36697504688239363
Energy: 0.37260568106928565
Energy: 0.3971142195621681
Energy: 0.3726056810761534
Energy: 0.3767139200916626
Energy: 0.3744236348049472
Energy: 0.5602334748994535
Energy: 0.3744236348057103
Energy: 0.5028344964900733
Energy: 0.48509272947254156
Energy: 0.4242085478141896
Energy: 0.4850927294839878
Energy: 0.37924821573315404
Energy: 0.39310953611967725
Energy: 0.5631521565018152
Energy: 0.39310953612044036
Energy: 0.4817150890194016
Energy: 0.4976691470139521
Energy: 0.38395178726140267
Energy: 0.4976691470139521
Energy: 0.3836660711528608
Energy: 0.37376386122622973
Energy: 0.41468637368519434
Energy: 0.3737638612269928
Energy: 0.5270256016234045
Energy: 0.6234878277377792
Energy: 0.37556285341677303
Energy: 0.6234878277377792
Energy: 0.42686331098014596
Energy: 0.5105528169025102
Energy: 0.37248435467611174
Energy: 0.5105528169017471
Energy: 0.5266184192082829
Energy: 0.3842904468729973
Energy: 0.3767076508034842
Energy: 0.3842904468729973
Energy: 0.4515926306729488
Energy: 0.38215601960197754
Energy: 0.3669956769928972
Energy: 0.3821560196080822
Energy: 0.6021867550980402
Energy: 0.5213351085691084
Energy: 0.3754576409661032
Energy: 0.5213351085698714
Energy: 0.42689389205856987
Energy: 0.4839691515587586
Energy: 0.3727937498678847
Energy: 0.4839691515595217
Energy: 0.4237274551133547
Energy: 0.5061094349546391
Energy: 0.38160339527176673
Energy: 0.5061094349554021
Energy: 0.38351596281485467
Energy: 0.4977174803463774
Energy: 0.48153099658366444
Energy: 0.4977174803463774
Energy: 0.4148348580334702
Energy: 0.6192346399434842
Energy: 0.3818879261269831
Energy: 0.6192346399427212
Energy: 0.3755884898628637
Energy: 0.5192334990341738
Energy: 0.5267621875454152
Energy: 0.5192334990334108
Energy: 0.3696300978760462
Energy: 0.510856264916435
Energy: 0.42365526764190375
Energy: 0.510856264916435

minimum gb energy = 0.36697504688239363 eV
minimum distance =  2.54357704171477 Angstroms
sigma value = 41


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

Energy: 0.5018525826094704
Energy: 0.35745747231249275
Energy: 0.7842550774636827
Energy: 0.35745747231124153
Energy: 0.5666412179552804
Energy: 0.3478541006495403
Energy: 0.3445067775011447
Energy: 0.34785410065079153
Energy: 0.35472301321725785
Energy: 0.3433570566359492
Energy: 0.6724993975779519
Energy: 0.3433570566365748
Energy: 0.4944102366430291
Energy: 0.3481484736550415
Energy: 0.3444680056367025
Energy: 0.3481484736550415
Energy: 0.34154868629746943
Energy: 0.4376593163561161
Energy: 0.37869942551098945
Energy: 0.43765931635549044
Energy: 0.4152725627283007
Energy: 0.34799952959754354
Energy: 0.34443498442749804
Energy: 0.3479995295981692
Energy: 0.343936734239936
Energy: 0.3476856701130905
Energy: 0.3796907933470333
Energy: 0.3476856701118394
Energy: 0.3375119790493442
Energy: 0.355079828749796
Energy: 0.34218662492937907
Energy: 0.355079828749796
Energy: 0.345956660099536
Energy: 0.47181505031496235
Energy: 0.5817013563068634
Energy: 0.47181505031496235
Energy: 0.4156338124879687
Energy: 0.3433923727719509
Energy: 0.3553178512447307
Energy: 0.34339237277132534
Energy: 0.34392171715961106
Energy: 0.3478417765144713
Energy: 0.5673579068266248
Energy: 0.3478417765144713
Energy: 0.3397860531960797
Energy: 0.35675365759237443
Energy: 0.5023308283399631
Energy: 0.3567536575904976
Energy: 0.34625878676730637
Energy: 0.4712261352923304
Energy: 0.6256954931949756
Energy: 0.4712261352917048
Energy: 0.4519345675914834
Energy: 0.4694443188363158
Energy: 0.3554297739570058
Energy: 0.46944431883569016
Energy: 0.343968560670963
Energy: 0.3478642339223209
Energy: 0.4976377556784462
Energy: 0.3478642339223209
Energy: 0.4364161613375341
Energy: 0.4285973284899328
Energy: 0.34219019809242207
Energy: 0.4285973284905585
Energy: 0.34616805040790066
Energy: 0.470497225127254
Energy: 0.49624649793790737
Energy: 0.47049722512787967
Energy: 0.43265850251167576
Energy: 0.46943365845374263
Energy: 0.34446912403675756
Energy: 0.46943365845687063
Energy: 0.34397012381018643
Energy: 0.35492193951603207
Energy: 0.33723082792342746
Energy: 0.3549219395154064
Energy: 0.42865172458044337
Energy: 0.47150013436727645
Energy: 0.3484627746635355
Energy: 0.4715001343666508
Energy: 0.3571757254508481
Energy: 0.46933579612328374
Energy: 0.3415134011052384
Energy: 0.46933579612328374
Energy: 0.5669551651325234
Energy: 0.5786376246857515
Energy: 0.34467305230807255
Energy: 0.5786376246863772
Energy: 0.50366708892806
Energy: 0.3553794897400991
Energy: 0.33965071478974546
Energy: 0.3553794897407247
Energy: 0.5026778813025776
Energy: 0.46907214667004854
Energy: 0.34823801156405243
Energy: 0.46907214666942293
Energy: 0.3572183600112162
Energy: 0.5579666683535535
Energy: 0.34403200518404214
Energy: 0.5579666683535535
Energy: 0.49651566916962026
Energy: 0.5785287243230854
Energy: 0.3444799397800553
Energy: 0.5785287243230854
Energy: 0.3439831222433778
Energy: 0.427995252852923
Energy: 0.4363017903475507
Energy: 0.42799525285479983
Energy: 0.34211453673053605
Energy: 0.5587537898905319
Energy: 0.34810461741962323
Energy: 0.5587537898905319
Energy: 0.3460009510910558
Energy: 0.5581410719923434
Energy: 0.4327306755755732
Energy: 0.5581410719917178
Energy: 0.33738971600212664
Energy: 0.5783732387020872
Energy: 0.34674155461777045
Energy: 0.5783732387020872
Energy: 0.3439359167336978
Energy: 0.46904865090278675
Energy: 0.42868215950530464
Energy: 0.46904865090341236
Energy: 0.339429571165694
Energy: 0.5589962882468799
Energy: 0.3598401303392466
Energy: 0.5589962882468799

minimum gb energy = 0.33723082792342746 eV
minimum distance =  2.51567046305156 Angstroms
sigma value = 15


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

Energy: 0.45944297161742886
Energy: 0.52608521983426
Energy: 0.7763528053587833
Energy: 0.52608521983426
Energy: 0.5716236327856785
Energy: 0.43012587476794883
Energy: 0.3277238546049065
Energy: 0.4301258747684788
Energy: 0.3390307673219171
Energy: 0.3267970948810809
Energy: 0.6450442235020831
Energy: 0.3267970948784792
Energy: 0.5098485634592789
Energy: 0.429502414804959
Energy: 0.32764931052417207
Energy: 0.4295024148065489
Energy: 0.3257668423661201
Energy: 0.5251325061513658
Energy: 0.3538313319143956
Energy: 0.5251325061508356
Energy: 0.44703455997479574
Energy: 0.42838788651979093
Energy: 0.32762284815061476
Energy: 0.4283878865213808
Energy: 0.32726893992442824
Energy: 0.33384503244652275
Energy: 0.35097662124059836
Energy: 0.3338450324454628
Energy: 0.3824300653944439
Energy: 0.33227177306747746
Energy: 0.3276406320150354
Energy: 0.3322717730632377
Energy: 0.3287700389425403
Energy: 0.5300871418898213
Energy: 0.49211904093677283
Energy: 0.5300871418887614
Energy: 0.31591178076025817
Energy: 0.4286915045379675
Energy: 0.32618874463737196
Energy: 0.4286915045395574
Energy: 0.3272582652661628
Energy: 0.4301399758480608
Energy: 0.5192771993643198
Energy: 0.4301399758464709
Energy: 0.3799433992254147
Energy: 0.3268708942053649
Energy: 0.3393904839972023
Energy: 0.326870894204305
Energy: 0.3286436269654934
Energy: 0.530286119768306
Energy: 0.5933469433028086
Energy: 0.530286119769366
Energy: 0.31734504722031814
Energy: 0.5253879700251168
Energy: 0.459732435018377
Energy: 0.5253879700256466
Energy: 0.32725902934812273
Energy: 0.4294402822529423
Energy: 0.570010179111997
Energy: 0.42944028225347225
Energy: 0.4120553392187722
Energy: 0.32678478969720504
Energy: 0.3393909680838868
Energy: 0.32678478969720504
Energy: 0.32876189887196966
Energy: 0.5303791170514063
Energy: 0.5389001604258763
Energy: 0.5303791170519363
Energy: 0.4015801756837726
Energy: 0.5233996940114712
Energy: 0.326141587584864
Energy: 0.5233996940120013
Energy: 0.3272982564186722
Energy: 0.4289013510354036
Energy: 0.4515323079211988
Energy: 0.42890135103646354
Energy: 0.39858503450951394
Energy: 0.3893256307605675
Energy: 0.3276274801033216
Energy: 0.3893256307590257
Energy: 0.3286607519983483
Energy: 0.4419870962488645
Energy: 0.41705252621276667
Energy: 0.44198709625416427
Energy: 0.3941551978500399
Energy: 0.5279311339461967
Energy: 0.33042317992937464
Energy: 0.5279311339456667
Energy: 0.32730803309044454
Energy: 0.42904426716114413
Energy: 0.3157258472095142
Energy: 0.4290442671616741
Energy: 0.5201206288693017
Energy: 0.43020287527062423
Energy: 0.3276714640642624
Energy: 0.43020287526956424
Energy: 0.34040198542794403
Energy: 0.5217243606974684
Energy: 0.3185026469421268
Energy: 0.5217243606979983
Energy: 0.5167127613934002
Energy: 0.5286050608242399
Energy: 0.3305626758179867
Energy: 0.5286050608247698
Energy: 0.4607361900035646
Energy: 0.5225897109345037
Energy: 0.3173287287948526
Energy: 0.5225897109350337
Energy: 0.577551609106493
Energy: 0.42935431954036213
Energy: 0.3277223698060898
Energy: 0.42935431953824227
Energy: 0.34051982140690135
Energy: 0.541904927550817
Energy: 0.3204030539150873
Energy: 0.541904927550287
Energy: 0.4506573301665847
Energy: 0.5286432022340355
Energy: 0.3304988605306874
Energy: 0.5286432022345655
Energy: 0.327312252874532
Energy: 0.5285160367569054
Energy: 0.4017576265967721
Energy: 0.5285160367563755
Energy: 0.44645309224371016
Energy: 0.5084631471603757
Energy: 0.3276758096638182
Energy: 0.5084631471603757
Energy: 0.3287788291373714
Energy: 0.5422037569037266
Energy: 0.3985652452933249
Energy: 0.5422037569031966
Energy: 0.3182559694401079
Energy: 0.5203813832436438
Energy: 0.3305310790436503
Energy: 0.5203813832431139
Energy: 0.3208419916403208
Energy: 0.5286874851615931
Energy: 0.39397982346312554
Energy: 0.5286874851615931
Energy: 0.315598982032853
Energy: 0.5082620955347564
Energy: 0.32920135960109914
Energy: 0.5082620955352865
Energy: 0.32877774717575053
Energy: 0.5420845413317806
Energy: 0.5203911004952824
Energy: 0.5420845413323107

minimum gb energy = 0.315598982032853 eV
minimum distance =  2.57521623791094 Angstroms
sigma value = 85


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

Energy: 0.4679953873272306
Energy: 0.5035582035484696
Energy: 0.7597025135332274
Energy: 0.5035582035484696
Energy: 0.6265310603078623
Energy: 0.41221107009054525
Energy: 0.3013987873498958
Energy: 0.41221107009100494
Energy: 0.44852377231587914
Energy: 0.3719093367745976
Energy: 0.3689153230210829
Energy: 0.3719093367745976
Energy: 0.5329174927690036
Energy: 0.40840291236338894
Energy: 0.3015420879551728
Energy: 0.40840291236338894
Energy: 0.3462824177438371
Energy: 0.35330382358531376
Energy: 0.3492371552430328
Energy: 0.35330382358531376
Energy: 0.4839468136993128
Energy: 0.3711732105702923
Energy: 0.30142136535649694
Energy: 0.37117321056891334
Energy: 0.3284358173267022
Energy: 0.37576237193795164
Energy: 0.37230189643584055
Energy: 0.3757623719361131
Energy: 0.4277605056182316
Energy: 0.4069123252572279
Energy: 0.3057192116307701
Energy: 0.4069123252572279
Energy: 0.3050584727829911
Energy: 0.30789543768374894
Energy: 0.46669249904049287
Energy: 0.30789543770303324
Energy: 0.37091841196359043
Energy: 0.34793415243303916
Energy: 0.3288074117608758
Energy: 0.3479341524316602
Energy: 0.3023781856789602
Energy: 0.4079558555949769
Energy: 0.49158009675846326
Energy: 0.40795585559543657
Energy: 0.3140357919775141
Energy: 0.45623467332443796
Energy: 0.346592159928179
Energy: 0.45623467332489753
Energy: 0.3010592362186615
Energy: 0.3079797559987938
Energy: 0.5651293542483239
Energy: 0.3079797559997131
Energy: 0.28811220040791397
Energy: 0.3717141605244308
Energy: 0.4487074972921619
Energy: 0.37171416052397116
Energy: 0.3026086250532934
Energy: 0.40800834042398065
Energy: 0.5828776631082259
Energy: 0.408008340423521
Energy: 0.28718034471154463
Energy: 0.4924576960404202
Energy: 0.43434989162659404
Energy: 0.49245769604087997
Energy: 0.30109108839999527
Energy: 0.30900050982641925
Energy: 0.5777745029049998
Energy: 0.30900050982641925
Energy: 0.3689884462063431
Energy: 0.3715568031677347
Energy: 0.44868068268301464
Energy: 0.37155680316865397
Energy: 0.30252794338325123
Energy: 0.40835125319228094
Energy: 0.5326925138718688
Energy: 0.40835125319228094
Energy: 0.36140675023877833
Energy: 0.4991801284071013
Energy: 0.3465854890454355
Energy: 0.4991801284071013
Energy: 0.30169886464043394
Energy: 0.3130355151507641
Energy: 0.5076575699124035
Energy: 0.3130355151507641
Energy: 0.3868154609817261
Energy: 0.3654025217275494
Energy: 0.3287632067512125
Energy: 0.36540252172708976
Energy: 0.30692397524671344
Energy: 0.40650423788271156
Energy: 0.4282384664056107
Energy: 0.40650423788271156
Energy: 0.38555048080460513
Energy: 0.5016975897126533
Energy: 0.3057799942539493
Energy: 0.5016975897126533
Energy: 0.3300026031838004
Energy: 0.3417771475290068
Energy: 0.4001694441083215
Energy: 0.3417771475294664
Energy: 0.4917563723280959
Energy: 0.40817491012331664
Energy: 0.30194599318832965
Energy: 0.40817491012377627
Energy: 0.34763641626109487
Energy: 0.44994080444759366
Energy: 0.31381461241794406
Energy: 0.44994080444759366
Energy: 0.49801295564489395
Energy: 0.5035840238710466
Energy: 0.30148930462130274
Energy: 0.5035840238710466
Energy: 0.44919009108450575
Energy: 0.395065804357717
Energy: 0.28819154468740976
Energy: 0.395065804357717
Energy: 0.5828508775093064
Energy: 0.4078436191122783
Energy: 0.3019569895513594
Energy: 0.4078436191118186
Energy: 0.4688003453107714
Energy: 0.4970589044686335
Energy: 0.28703712842631907
Energy: 0.4970589044686335
Energy: 0.5441892170868864
Energy: 0.49800674795366007
Energy: 0.30148736891988376
Energy: 0.49800674795366007
Energy: 0.44914652160533186
Energy: 0.3696401191334195
Energy: 0.2890069454807964
Energy: 0.3696401191334195
Energy: 0.5324479453854145
Energy: 0.40813545412196367
Energy: 0.30193676908664285
Energy: 0.40813545412196367
Energy: 0.3477125851812058
Energy: 0.4933357332940896
Energy: 0.3614484769047296
Energy: 0.4933357332940896
Energy: 0.43601280085597127
Energy: 0.4671977208031917
Energy: 0.30282627214874847
Energy: 0.4671977208031917
Energy: 0.3298826988698578
Energy: 0.3653596173542517
Energy: 0.38672590141486796
Energy: 0.36535961735563066
Energy: 0.42867077037772977
Energy: 0.4064686857839312
Energy: 0.30494443951884204
Energy: 0.4064686857839312
Energy: 0.30696967230290306
Energy: 0.49323693444781835
Energy: 0.3855235314642055
Energy: 0.49323693444781835
Energy: 0.31787764394293755
Energy: 0.43135726792075374
Energy: 0.3311417678444664
Energy: 0.43135726792075374
Energy: 0.30115467572556714
Energy: 0.40702009185482974
Energy: 0.49236103825000843
Energy: 0.4070200918543701
Energy: 0.31384602985803944
Energy: 0.449701093061614
Energy: 0.3488519580718538
Energy: 0.449701093061614
Energy: 0.3026535152764172
Energy: 0.4931420307218413
Energy: 0.500955773938652
Energy: 0.4931420307218413

minimum gb energy = 0.28703712842631907 eV
minimum distance =  2.58721781446639 Angstroms
sigma value = 113


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

Energy: 0.011705485366433076
Energy: 0.013304822857373087
Energy: 0.7802466799135759
Energy: 0.013304822857019734
Energy: 0.587330763541647
Energy: 0.19917383816714532
Energy: 0.20022321672064927
Energy: 0.19917383816714532
Energy: 0.011705485366433076
Energy: 0.013304822857019734
Energy: 1.043451633477087
Energy: 0.013304822857019734
Energy: 0.587330763541647
Energy: 0.19917383816749865
Energy: 0.20022321672064927
Energy: 0.19917383816749865
Energy: 0.011705485366786431
Energy: 0.013304822857019734
Energy: 1.1719868419170842
Energy: 0.013304822857373087
Energy: 0.5873307635419807
Energy: 0.19917383816749865
Energy: 0.20022321672064927
Energy: 0.19917383816714532

minimum gb energy = 0.011705485366433076 eV
minimum distance =  2.83998505002878 Angstroms
sigma value = 1