Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_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=4.044650763273239
cohesive_energy=3.3602642529834164
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: 0.010383043293132983
Energy: 0.010867677542962084
Energy: 0.7158837504091186
Energy: 0.010867677542962084
Energy: 0.010867677542962084
Energy: 0.5098363712919902
Energy: 0.010867677542962084
Energy: 0.5098363712924912
Energy: 0.7158837504091186
Energy: 0.010867677542962084
Energy: 0.010383043293132983
Energy: 0.010867677542962084
Energy: 0.010867677542962084
Energy: 0.5098363712924912
Energy: 0.010867677542962084
Energy: 0.5098363712924912

minimum gb energy = 0.010383043293132983 eV
minimum distance =  2.7079058937107 Angstroms
sigma value = 1


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

Energy: 0.5704306511178362
Energy: 0.5617953096310401
Energy: 0.6005461495561248
Energy: 0.5617953096310401
Energy: 0.5592852397321166
Energy: 0.5699743465634022
Energy: 0.5406180107061692
Energy: 0.5699743465634022
Energy: 0.5398563271911182
Energy: 0.553932861289808
Energy: 0.5540102641476223
Energy: 0.553932861289808
Energy: 0.5431416444559939
Energy: 0.5730309079919897
Energy: 0.5444509697256823
Energy: 0.5730309079925974
Energy: 0.544622314317974
Energy: 0.5682836748414799
Energy: 0.556905013247285
Energy: 0.5682836748408998
Energy: 0.5389843587874315
Energy: 0.6250256842460759
Energy: 0.536764481072341
Energy: 0.6250256842460759
Energy: 0.5608016962635604
Energy: 0.5523550832475131
Energy: 0.539411294795461
Energy: 0.5523550832475131
Energy: 0.5242215631288246
Energy: 0.5659097363439758
Energy: 0.5375404280768274
Energy: 0.5659097363439758
Energy: 0.5440667658192869
Energy: 0.550454931125799
Energy: 0.5423929094705361
Energy: 0.5504549311245837
Energy: 0.5430385053683952
Energy: 0.553221981636211
Energy: 0.5247941945563832
Energy: 0.5532219816368186
Energy: 0.5424865684015948
Energy: 0.5680324710806357
Energy: 0.544176945991574
Energy: 0.5680324710812434
Energy: 0.5719768261248678
Energy: 0.5657127801409456
Energy: 0.5468475177657117
Energy: 0.5657127801409456
Energy: 0.5394558212562787
Energy: 0.5542159704447029
Energy: 0.5612146707406094
Energy: 0.5542159704447029
Energy: 0.5519283270093928
Energy: 0.561876919976793
Energy: 0.5455361186947626
Energy: 0.5618769199761855
Energy: 0.5515378874812187
Energy: 0.5671213525539024
Energy: 0.5483660540734379
Energy: 0.5671213525539024
Energy: 0.5556946181783022
Energy: 0.5618921503539568
Energy: 0.5520010222817291
Energy: 0.5618921503539568
Energy: 0.5540949751487095
Energy: 0.5538534499743624
Energy: 0.5303280512213284
Energy: 0.5538534499743624
Energy: 0.5405691803749109
Energy: 0.5623794052873632
Energy: 0.5726992862774586
Energy: 0.5623794052867555
Energy: 0.5776340986481978
Energy: 0.5642122805057388
Energy: 0.5464013621480075
Energy: 0.5642122805063465
Energy: 0.5513045700412474
Energy: 0.550218755739274
Energy: 0.5450664823228274
Energy: 0.5502187557423123
Energy: 0.5529158785054572
Energy: 0.5538219013568845
Energy: 0.5294050540005885
Energy: 0.5538219013574921
Energy: 0.5444946620796706
Energy: 0.6360521971214712
Energy: 0.5519914299387726
Energy: 0.6360521971214712
Energy: 0.5521833861862707
Energy: 0.5656840352923415
Energy: 0.5340050546828399
Energy: 0.5656840352923415
Energy: 0.5491332190042446
Energy: 0.5535450244536708
Energy: 0.5390439928536864
Energy: 0.5535450244536708
Energy: 0.5393485573194926
Energy: 0.6279632676527066
Energy: 0.561282754144093
Energy: 0.6279632676533143
Energy: 0.546880264033827
Energy: 0.5657941129365479
Energy: 0.5453649553103348
Energy: 0.5657941129359403
Energy: 0.55674089616963
Energy: 0.622064262966367
Energy: 0.5440712389916311
Energy: 0.6220642629657593
Energy: 0.5360243817183882
Energy: 0.5521664270717752
Energy: 0.5596757592522725
Energy: 0.5521664270717752
Energy: 0.5589408728124259
Energy: 0.5676792312816064
Energy: 0.551133828685736
Energy: 0.5676792312816064
Energy: 0.5814483941554676
Energy: 0.5624509431475758
Energy: 0.5760836405987679
Energy: 0.5624509431481834
Energy: 0.5545462374223633
Energy: 0.5605589997793816
Energy: 0.5394299022828155
Energy: 0.5605589997793816
Energy: 0.5444421595297526
Energy: 0.556545786782784
Energy: 0.5519836267820523
Energy: 0.556545786782784
Energy: 0.5446794328854108
Energy: 0.5755851640873194
Energy: 0.5460670991889413
Energy: 0.5755851640873194

minimum gb energy = 0.5242215631288246 eV
minimum distance =  2.57805759633934 Angstroms
sigma value = 1


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

Energy: 0.5947284861502635
Energy: 0.6040240882100179
Energy: 0.6100417635161716
Energy: 0.6040240882093251
Energy: 0.5746398986132067
Energy: 0.5948004022584107
Energy: 0.5581076961249762
Energy: 0.5948004022577179
Energy: 0.5696198226977598
Energy: 0.6069123061266603
Energy: 0.5690766008637409
Energy: 0.6069123061266603
Energy: 0.5600864412690315
Energy: 0.6035651716551413
Energy: 0.5609183242492871
Energy: 0.6035651716544487
Energy: 0.5597934647118055
Energy: 0.589883487460671
Energy: 0.578678501802558
Energy: 0.5898834874599781
Energy: 0.601599978724944
Energy: 0.5901155782938479
Energy: 0.5623201501616988
Energy: 0.590115578293155
Energy: 0.5747749679968245
Energy: 0.6345713572002716
Energy: 0.5701741108487843
Energy: 0.6345713572009644
Energy: 0.5456622085974623
Energy: 0.6049321593823619
Energy: 0.5620771476939016
Energy: 0.6049321593809762
Energy: 0.559787998737944
Energy: 0.6960104358326505
Energy: 0.54751782375676
Energy: 0.6960104358326505
Energy: 0.5713008066638477
Energy: 0.6048679750580045
Energy: 0.5785627440266246
Energy: 0.6048679750580045
Energy: 0.5745509814046131
Energy: 0.5859157171085936
Energy: 0.5582268162519384
Energy: 0.5859157171079007
Energy: 0.5524744072629526
Energy: 0.5963013161768673
Energy: 0.5692467725469738
Energy: 0.5963013161754817
Energy: 0.5804110123807423
Energy: 0.5875330833521976
Energy: 0.5763447041493581
Energy: 0.5875330833521976
Energy: 0.5802583347723349
Energy: 0.5875304594106275
Energy: 0.5834254800942188
Energy: 0.5875304594113204
Energy: 0.5525858176066482
Energy: 0.5963158194855032
Energy: 0.5713655138329717
Energy: 0.5963158194855032
Energy: 0.5745860588606428
Energy: 0.5859220383082995
Energy: 0.5697852712059874
Energy: 0.5859220383076065
Energy: 0.5694474067457121
Energy: 0.604885882970074
Energy: 0.6057313453277793
Energy: 0.6048858829707668
Energy: 0.5596783327428672
Energy: 0.6732191772329149
Energy: 0.5476188196765909
Energy: 0.6732191774164519
Energy: 0.5456553753551965
Energy: 0.6065942520351597
Energy: 0.5641532511808112
Energy: 0.6065942520358526
Energy: 0.574581452177054
Energy: 0.6355188166532533
Energy: 0.5581068978688666
Energy: 0.6355188166532533
Energy: 0.6009033388218706
Energy: 0.5898049317858779
Energy: 0.5716681063153359
Energy: 0.589804931785185
Energy: 0.5596693494138034
Energy: 0.5898736921427746
Energy: 0.5644536727653184
Energy: 0.5898736921427746
Energy: 0.5599332348569156
Energy: 0.603563192322385
Energy: 0.5689481846049927
Energy: 0.6035631923230778
Energy: 0.5696482817938406
Energy: 0.6067262662742572
Energy: 0.5712886356824283
Energy: 0.6067262662749501
Energy: 0.5746950481062391
Energy: 0.5949561656603413
Energy: 0.5580651385907314
Energy: 0.5949561656603413
Energy: 0.5947284861502635
Energy: 0.6040240882100179
Energy: 0.6603274140742069
Energy: 0.6040240882093251
Energy: 0.5746398986132067
Energy: 0.5948004022584107
Energy: 0.5581076961242835
Energy: 0.5948004022584107
Energy: 0.5696198226977598
Energy: 0.6069123061273531
Energy: 0.5690766008637409
Energy: 0.6069123061266603
Energy: 0.5600864412676458
Energy: 0.6035651716551413
Energy: 0.5582371811790661
Energy: 0.6035651716544487

minimum gb energy = 0.5456553753551965 eV
minimum distance =  2.52432946268297 Angstroms
sigma value = 25


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

Energy: 0.6133243940454663
Energy: 0.6264421978564741
Energy: 0.6452165806289917
Energy: 0.6264421978564741
Energy: 0.580061043204012
Energy: 0.6276229673175815
Energy: 0.5875733678692603
Energy: 0.6276229673167761
Energy: 0.5783228353421307
Energy: 0.6525498564917784
Energy: 0.5898890009466401
Energy: 0.6525498564925838
Energy: 0.5878243657663488
Energy: 0.6439551603668474
Energy: 0.5790943773048177
Energy: 0.6439551603676528
Energy: 0.5800327226965992
Energy: 0.6282947620893041
Energy: 0.5825174958517358
Energy: 0.6282947620893041
Energy: 0.6309567941245398
Energy: 0.6536476922433087
Energy: 0.594052017244974
Energy: 0.6536476922433087
Energy: 0.5786926071341443
Energy: 0.6740824135865771
Energy: 0.5934988440370935
Energy: 0.6740824135865771
Energy: 0.6813664132937137
Energy: 0.6281421149199775
Energy: 0.5709681667213911
Energy: 0.6281421149199775
Energy: 0.5935017654336939
Energy: 0.6092119281125211
Energy: 0.5788335726255446
Energy: 0.6092119281125211
Energy: 0.6135266068139668
Energy: 0.6543691465893674
Energy: 0.57592210778855
Energy: 0.6543691465893674
Energy: 0.5793749854561984
Energy: 0.6257009010608804
Energy: 0.5856299431685522
Energy: 0.6257009010608804
Energy: 0.5996048858452234
Energy: 0.6265361146741545
Energy: 0.5856814680739275
Energy: 0.6265361146741545
Energy: 0.5896153355583142
Energy: 0.6451590391177593
Energy: 0.5758089004611857
Energy: 0.6451590391169539
Energy: 0.5938506992159595
Energy: 0.6405497039199776
Energy: 0.5803314435902275
Energy: 0.6405497039199776
Energy: 0.584363248801227
Energy: 0.6287210900401875
Energy: 0.5698883040481078
Energy: 0.6287210900401875
Energy: 0.5784732263881918
Energy: 0.5893289609722133
Energy: 0.5809719470015507
Energy: 0.589328960971408
Energy: 0.5696166594693677
Energy: 0.6525143121638246
Energy: 0.5671978849256065
Energy: 0.6525143121646302
Energy: 0.5789800602853863
Energy: 0.6151590491287108
Energy: 0.5805397691693672
Energy: 0.6151590491287108
Energy: 0.5777221353210285
Energy: 0.6448989187287995
Energy: 0.579580601871321
Energy: 0.6448989187287995
Energy: 0.5958769969757782
Energy: 0.653327902135693
Energy: 0.5881997518251844
Energy: 0.653327902135693
Energy: 0.5913972625771059
Energy: 0.627264342434958
Energy: 0.5857896302619628
Energy: 0.627264342434958
Energy: 0.611883302874311
Energy: 0.6276191287734378
Energy: 0.6389537198120175
Energy: 0.6276191287734378
Energy: 0.5787195306615076
Energy: 0.6150645656888603
Energy: 0.586150138120295
Energy: 0.6150645656888603
Energy: 0.5790115030854197
Energy: 0.6517165767425082
Energy: 0.613797358651618
Energy: 0.6517165767425082
Energy: 0.586002424654005
Energy: 0.6243141149924807
Energy: 0.5788731254084318
Energy: 0.6243141149924807

minimum gb energy = 0.5671978849256065 eV
minimum distance =  2.52749265269417 Angstroms
sigma value = 9


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

Energy: 0.6368892162908437
Energy: 0.6950625571826146
Energy: 0.7424409051365296
Energy: 0.6950625571826146
Energy: 0.624174633785024
Energy: 0.6613418310928297
Energy: 0.6036225771133655
Energy: 0.6613418310937905
Energy: 0.5908579555218993
Energy: 0.6835622410651538
Energy: 0.6030715536468569
Energy: 0.6835622410651538
Energy: 0.5972556236881131
Energy: 0.6998394916447975
Energy: 0.5960804258737357
Energy: 0.6998394916447975
Energy: 0.6325722447049451
Energy: 0.6457364076094516
Energy: 0.5982729368383563
Energy: 0.6457364076094516
Energy: 0.5973887341100288
Energy: 0.68605721995591
Energy: 0.6099928498243214
Energy: 0.6860572199568707
Energy: 0.5964863597359318
Energy: 0.5948984368142249
Energy: 0.5954507983812788
Energy: 0.5948984368142249
Energy: 0.6296689308198159
Energy: 0.686026891052283
Energy: 0.609353683343512
Energy: 0.686026891052283
Energy: 0.5963713674903618
Energy: 0.6469482522118065
Energy: 0.6115635260502349
Energy: 0.6469482522118065
Energy: 0.5963580779789917
Energy: 0.6953765126311544
Energy: 0.5974091495374182
Energy: 0.6953765126311544
Energy: 0.5964070540272851
Energy: 0.6812173863396528
Energy: 0.609470087325958
Energy: 0.6812173863396528
Energy: 0.5973933015252771
Energy: 0.6580599087632201
Energy: 0.6096349146592129
Energy: 0.6580599087632201
Energy: 0.5990811599116509
Energy: 0.6842319840791663
Energy: 0.6181182454623558
Energy: 0.6842319840791663
Energy: 0.6236648250204969
Energy: 0.6712702238040202
Energy: 0.5970442531126876
Energy: 0.6712702238049811
Energy: 0.5991157690454805
Energy: 0.6858934666263881
Energy: 0.6336970542156577
Energy: 0.685893466627349
Energy: 0.5969869143641519
Energy: 0.6953047401184261
Energy: 0.5961715674277481
Energy: 0.6953047401184261
Energy: 0.6276748319728315
Energy: 0.6721725395438499
Energy: 0.6030570081992066
Energy: 0.6721725395438499
Energy: 0.60910525324628
Energy: 0.69572452380506
Energy: 0.5982009854834841
Energy: 0.69572452380506
Energy: 0.6096394570827849
Energy: 0.645225575206783
Energy: 0.6036092365657552
Energy: 0.645225575206783
Energy: 0.6569246961202532
Energy: 0.6839813076220744
Energy: 0.6099195759555165
Energy: 0.6839813076220744
Energy: 0.5962296548863322
Energy: 0.663114097316925
Energy: 0.6099920866797269
Energy: 0.6631140973159643

minimum gb energy = 0.5908579555218993 eV
minimum distance =  2.57151935927154 Angstroms
sigma value = 25


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

Energy: 0.6030415805202859
Energy: 0.7081756126094186
Energy: 0.7112833671272889
Energy: 0.7081756126094186
Energy: 0.5929311982011967
Energy: 0.6023783086027209
Energy: 0.5880891494428626
Energy: 0.6023783086050972
Energy: 0.5880758445514122
Energy: 0.6583663609201738
Energy: 0.5951046368858827
Energy: 0.6583663612729056
Energy: 0.6033234109357862
Energy: 0.6586690393091155
Energy: 0.6848070227072532
Energy: 0.6586690393091155
Energy: 0.682212059753203
Energy: 0.592809875064131
Energy: 0.6125889167054871
Energy: 0.592809875064131
Energy: 0.5901730727730364
Energy: 0.7334425661847634
Energy: 0.5889041245096228
Energy: 0.7334425661847634
Energy: 0.5883086403190235
Energy: 0.657076189640239
Energy: 0.5876580674499272
Energy: 0.657076189640239
Energy: 0.6858152882300909
Energy: 0.708751047395459
Energy: 0.6032347735045304
Energy: 0.708751047395459
Energy: 0.5949919181690809
Energy: 0.6597363630583591
Energy: 0.5930688137711195
Energy: 0.6597363630583591
Energy: 0.6858809437645279
Energy: 0.6733551134847734
Energy: 0.5899170178765892
Energy: 0.6733551134847734
Energy: 0.6081423008242716
Energy: 0.7081584824803697
Energy: 0.774169246339223
Energy: 0.7081584824803697
Energy: 0.5882585617223084
Energy: 0.6072128793291925
Energy: 0.691017690494675
Energy: 0.6072128793291925
Energy: 0.6778995296765239
Energy: 0.6731179697574791
Energy: 0.5875867236918803
Energy: 0.6731179697574791
Energy: 0.5878072821324822
Energy: 0.6630429642078307
Energy: 0.6035584133488344
Energy: 0.6630429642078307
Energy: 0.601888556094209
Energy: 0.7077631338924139
Energy: 0.6802362466831797
Energy: 0.7077631338924139
Energy: 0.5953326158637604
Energy: 0.6730937187352799
Energy: 0.5903321347435075
Energy: 0.6730937187352799
Energy: 0.5951033813089747
Energy: 0.6257870053722872
Energy: 0.6867914313263971
Energy: 0.6257870053722872

minimum gb energy = 0.5875867236918803 eV
minimum distance =  2.61544662898587 Angstroms
sigma value = 17


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

Energy: 0.6590225374276893
Energy: 0.6592406179679948
Energy: 0.7954546827887952
Energy: 0.6592406179673524
Energy: 0.684717442924008
Energy: 0.6290001293022836
Energy: 0.6006765421443806
Energy: 0.6290001293022836
Energy: 0.6899586627325309
Energy: 0.6596515145153321
Energy: 0.604330374784519
Energy: 0.6596515145153321
Energy: 0.5999248963369032
Energy: 0.6068154155355883
Energy: 0.6490614258613732
Energy: 0.6068154155275128
Energy: 0.7028677022515417
Energy: 0.6745874739688291
Energy: 0.6009832500002185
Energy: 0.6745874739688291
Energy: 0.6044611151433772
Energy: 0.6131933435466229
Energy: 0.6852031138775114
Energy: 0.6131933435472959
Energy: 0.6013607656610656
Energy: 0.6545937082678475
Energy: 0.604435969810889
Energy: 0.6545937082678475
Energy: 0.6839264209847484
Energy: 0.6041603150801265
Energy: 0.6055462075223587
Energy: 0.6041603150760888
Energy: 0.6045723263482681
Energy: 0.6767778695387539
Energy: 0.6987542280966919
Energy: 0.676777869538081
Energy: 0.7489594717173874
Energy: 0.6390036911958465
Energy: 0.602611103107882
Energy: 0.6390036911736396
Energy: 0.6006585802310117
Energy: 0.6053971307036285
Energy: 0.6917730005433695
Energy: 0.6053971307043016
Energy: 0.6051430534146014
Energy: 0.6529193577761481
Energy: 0.6056430888673993
Energy: 0.6529193577761481
Energy: 0.6854871811840716
Energy: 0.6050459899790838
Energy: 0.6044854174294643
Energy: 0.6050459899790838
Energy: 0.6023417449512973
Energy: 0.7107448952465104
Energy: 0.6888013873346036
Energy: 0.7107448952458376
Energy: 0.6520383707309247
Energy: 0.6543268724481175
Energy: 0.6053359348219292
Energy: 0.6543268724481175
Energy: 0.702260361013476
Energy: 0.6044451988496129
Energy: 0.6993501056064979
Energy: 0.6044451988482671
Energy: 0.6043686979824903
Energy: 0.6419901994592392
Energy: 0.7355145085323612
Energy: 0.6419901994578933
Energy: 0.6843797491301904
Energy: 0.6015785911902559
Energy: 0.6043800779832997
Energy: 0.6015785912016958
Energy: 0.6086084750819539
Energy: 0.6582267781224646
Energy: 0.6463996294871178
Energy: 0.6582267781217916
Energy: 0.600477955056643
Energy: 0.7070910893468555
Energy: 0.5999714694350902
Energy: 0.7070910893461825
Energy: 0.6491402313520547
Energy: 0.6595723329680777
Energy: 0.6904839773817696
Energy: 0.6595723329674049
Energy: 0.6016170999212338
Energy: 0.6886425068842622
Energy: 0.7470741491136965
Energy: 0.6886425068849351
Energy: 0.6971441642820352
Energy: 0.6604328214231038
Energy: 0.5988771969299987
Energy: 0.6604328214231038
Energy: 0.6037787345421491
Energy: 0.6560205790875238
Energy: 0.6834734158816553
Energy: 0.6560205790875238
Energy: 0.6039120064445224
Energy: 0.657802982692537
Energy: 0.6842743012657656
Energy: 0.657802982692537
Energy: 0.696119534866636
Energy: 0.6046044271662934
Energy: 0.5994172852240115
Energy: 0.6046044270647107
Energy: 0.6008921636282545
Energy: 0.689120869102549
Energy: 0.7551873137333109
Energy: 0.6891208691032219
Energy: 0.6877074089182724
Energy: 0.6132518549621576
Energy: 0.6909693311844539
Energy: 0.6132518549614847
Energy: 0.7285549427493402
Energy: 0.706968467317292
Energy: 0.6011679756564893
Energy: 0.706968467317292
Energy: 0.604619911438189
Energy: 0.6780014586673123
Energy: 0.6846613378377495
Energy: 0.6780014586679853

minimum gb energy = 0.5988771969299987 eV
minimum distance =  2.49405027298078 Angstroms
sigma value = 53


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

Energy: 0.5520431690779398
Energy: 0.5522407366697497
Energy: 0.7687617174494882
Energy: 0.5522407366697497
Energy: 0.6844706165456556
Energy: 0.6007146538313562
Energy: 0.596488731862692
Energy: 0.600714653829807
Energy: 0.552753812773282
Energy: 0.5525513390229257
Energy: 0.6652759931510809
Energy: 0.5525513390229257
Energy: 0.5525895495070603
Energy: 0.5525410121778322
Energy: 0.6455260182438284
Energy: 0.5525410121778322
Energy: 0.6774306339991214
Energy: 0.600708430884561
Energy: 0.5965173591144547
Energy: 0.600708430884561
Energy: 0.5520431690779398
Energy: 0.5522407366712989
Energy: 0.8052779137347658
Energy: 0.5522407366697497
Energy: 0.6844706165456556
Energy: 0.6007146538313562
Energy: 0.6866341922742799
Energy: 0.600714653829807
Energy: 0.5527538127748312
Energy: 0.5525513390229257
Energy: 0.6652759931510809
Energy: 0.5525513390229257
Energy: 0.552589549505511
Energy: 0.5525410121778322
Energy: 0.6865840996074611
Energy: 0.5525410121778322
Energy: 0.6774306201057126
Energy: 0.600708430883012
Energy: 0.659819149939567
Energy: 0.600708430883012
Energy: 0.5520431690779398
Energy: 0.5522407366697497
Energy: 0.8052779137347658
Energy: 0.5522407366697497
Energy: 0.6844706165441063
Energy: 0.600714653829807
Energy: 0.6866341922742799
Energy: 0.600714653829807
Energy: 0.5527538127748312
Energy: 0.5525513390229257
Energy: 0.6652759931510809
Energy: 0.5525513390229257

minimum gb energy = 0.5520431690779398 eV
minimum distance =  2.60571148058567 Angstroms
sigma value = 9


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

Energy: 0.6202074308446199
Energy: 0.6294651675704244
Energy: 0.7834127404370965
Energy: 0.6294651675692776
Energy: 0.750834441996786
Energy: 0.6501176298265722
Energy: 0.6337286877593588
Energy: 0.6501176298265722
Energy: 0.6276985393197727
Energy: 0.6143629624281265
Energy: 0.6379323143296823
Energy: 0.6143629624269797
Energy: 0.7027459463705222
Energy: 0.7306083266063776
Energy: 0.6366798438403852
Energy: 0.7306083266063776
Energy: 0.6930062876340345
Energy: 0.641319734474672
Energy: 0.6331900345818053
Energy: 0.641319734474672
Energy: 0.6143548190731424
Energy: 0.614065565532369
Energy: 0.7244019861009559
Energy: 0.6140655655317957
Energy: 0.8200258719893201
Energy: 0.6382378829536488
Energy: 0.636982747245132
Energy: 0.6382378829542221
Energy: 0.6295451660793114
Energy: 0.7276306877623554
Energy: 0.6874165326501458
Energy: 0.7276306877617821
Energy: 0.629296836495409
Energy: 0.7321522663992105
Energy: 0.6214968026349081
Energy: 0.7321522663992105
Energy: 0.6273878608728464
Energy: 0.6425930643130368
Energy: 0.6282791286747536
Energy: 0.6425930643130368
Energy: 0.6349594301731165
Energy: 0.7233667804222281
Energy: 0.8258959567976963
Energy: 0.7233667804222281
Energy: 0.7195897296548216
Energy: 0.7604158625108812
Energy: 0.6351288693173897
Energy: 0.7604158625108812
Energy: 0.6347693404186647
Energy: 0.6792476723193563
Energy: 0.727086558290951
Energy: 0.6792476723199298
Energy: 0.7239362049639593
Energy: 0.7237060035090328
Energy: 0.6246835626810248
Energy: 0.7237060035090328
Energy: 0.6364464855063203
Energy: 0.6884270119009175
Energy: 0.6506851590204882
Energy: 0.6884270119014908
Energy: 0.6360645650634175
Energy: 0.7322611536469322
Energy: 0.7138067802716237
Energy: 0.7322611536463589
Energy: 0.650239720395808
Energy: 0.688431625304424
Energy: 0.636865202817853
Energy: 0.6884316253049975
Energy: 0.6370296891030074
Energy: 0.6383390153519022
Energy: 0.7563249055304404
Energy: 0.6383390153519022
Energy: 0.6984757853252596
Energy: 0.6796931213275434
Energy: 0.6159136942625488
Energy: 0.6796931213275434
Energy: 0.6358992379857467
Energy: 0.6494459937519822
Energy: 0.6948104883629548
Energy: 0.6494459937519822
Energy: 0.6868483069390948
Energy: 0.7322477675020191
Energy: 0.6879142931870329
Energy: 0.7322477675025925
Energy: 0.6515603379768821
Energy: 0.6822310984581171
Energy: 0.6300899026815757
Energy: 0.6822310984581171
Energy: 0.6219207433462236
Energy: 0.6789077374083073
Energy: 0.6315667328767665
Energy: 0.6789077374083073
Energy: 0.7793332359114533
Energy: 0.68360796656911
Energy: 0.6300349905097824
Energy: 0.68360796656911
Energy: 0.6356040612519878
Energy: 0.7605810064894822
Energy: 0.7871692268463674
Energy: 0.7605810064894822
Energy: 0.679695712824533
Energy: 0.6145454651883
Energy: 0.6292590347582647
Energy: 0.6145454651883
Energy: 0.6467261437300874
Energy: 0.6523082866077372
Energy: 0.7099567275411094
Energy: 0.6523082866077372
Energy: 0.6297157030643593
Energy: 0.7222254658546364
Energy: 0.7223494595583339
Energy: 0.7222254658540631
Energy: 0.6785500258878016
Energy: 0.6143413414211382
Energy: 0.6283446560478476
Energy: 0.6143413414211382
Energy: 0.6341677287084616
Energy: 0.7903873627188831
Energy: 0.7821740086378711
Energy: 0.7903873627183096
Energy: 0.7761099311914207
Energy: 0.7234100743577275
Energy: 0.6289812697044764
Energy: 0.7234100743577275
Energy: 0.624999241432965
Energy: 0.6429819002276287
Energy: 0.6294270745656873
Energy: 0.6429819002282021
Energy: 0.6272467689499904
Energy: 0.6817641551020133
Energy: 0.6279254156974305
Energy: 0.6817641551020133
Energy: 0.6851179620460667
Energy: 0.723303613112924
Energy: 0.7135860684313142
Energy: 0.723303613112924
Energy: 0.6448194261825108
Energy: 0.6917980878544546
Energy: 0.8247050182465575
Energy: 0.6917980878544546

minimum gb energy = 0.6140655655317957 eV
minimum distance =  2.55642453702175 Angstroms
sigma value = 73


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

Energy: 0.6637598879025508
Energy: 0.6257920326569951
Energy: 0.7859848597430712
Energy: 0.6257920326569951
Energy: 0.6351498272361106
Energy: 0.6564028332744378
Energy: 0.6294230186754206
Energy: 0.6564028332753475
Energy: 0.633979839655056
Energy: 0.619916762592084
Energy: 0.6196868362531868
Energy: 0.619916762592084
Energy: 0.6385579786053938
Energy: 0.6279397134153226
Energy: 0.6474641830178189
Energy: 0.6279397134153226
Energy: 0.6854626923198364
Energy: 0.6587996616019869
Energy: 0.6351264887640237
Energy: 0.6587996616019869
Energy: 0.6375819361109536
Energy: 0.62107946369822
Energy: 0.7827646664616257
Energy: 0.62107946369822
Energy: 0.831395647576672
Energy: 0.7051986833752658
Energy: 0.6408591939418969
Energy: 0.7051986833752658
Energy: 0.6323441008558106
Energy: 0.6147064226995865
Energy: 0.7082638553292123
Energy: 0.6147064226995865
Energy: 0.8400002994690386
Energy: 0.616545872656115
Energy: 0.6168444627065498
Energy: 0.6165458726552053
Energy: 0.6358456845511726
Energy: 0.6597668765647033
Energy: 0.6303914491908681
Energy: 0.6597668765647033
Energy: 0.6289662284415245
Energy: 0.6166828919221197
Energy: 0.766819294280231
Energy: 0.6166828919230294
Energy: 0.7490641453983004
Energy: 0.6268426253117388
Energy: 0.63980916947432
Energy: 0.6268426253117388
Energy: 0.6374623686264056
Energy: 0.6495181103883557
Energy: 0.8781327978797107
Energy: 0.6495181103883557
Energy: 0.7794623075593632
Energy: 0.6859216943973607
Energy: 0.6505861802038457
Energy: 0.6859216943973607
Energy: 0.6341206710353432
Energy: 0.6653223653990241
Energy: 0.7466119785855548
Energy: 0.6653223653990241
Energy: 0.7747468514013014
Energy: 0.6159325453375198
Energy: 0.6337324543934773
Energy: 0.6159325453375198
Energy: 0.6676903277729773
Energy: 0.6796927383722315
Energy: 0.6339166127656768
Energy: 0.6796927383722315
Energy: 0.6662163374907233
Energy: 0.6793931633447723
Energy: 0.640478822221086
Energy: 0.6793931633438625
Energy: 0.7133643423595306
Energy: 0.6145283025974381
Energy: 0.6323273128496711
Energy: 0.6145283025974381
Energy: 0.6416951907209231
Energy: 0.6885798231049852
Energy: 0.8007621412464958
Energy: 0.6885798231040962
Energy: 0.7706523894851421
Energy: 0.6208761842486503
Energy: 0.6382953016260687
Energy: 0.6208761842486503
Energy: 0.6471349485610207
Energy: 0.6555552079029454
Energy: 0.7145330623782702
Energy: 0.6555552079029454

minimum gb energy = 0.6145283025974381 eV
minimum distance =  2.54586063277051 Angstroms
sigma value = 7


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

Energy: 0.6311462522831711
Energy: 0.6307840858921407
Energy: 0.7905380764482174
Energy: 0.630784085892784
Energy: 0.8028238070734275
Energy: 0.6545981431033882
Energy: 0.6184919642668852
Energy: 0.6545981431040314
Energy: 0.6248499085700617
Energy: 0.6313849851582723
Energy: 0.6419479621649209
Energy: 0.6313849851589156
Energy: 0.6565133990487432
Energy: 0.6601988327097931
Energy: 0.6282425525051959
Energy: 0.6601988327097931
Energy: 0.6246264127747274
Energy: 0.6492653833000982
Energy: 0.6249828916961911
Energy: 0.649265383299455
Energy: 0.6251297637683276
Energy: 0.6319160270119402
Energy: 0.7860003712017589
Energy: 0.6319160270119402
Energy: 0.7309535426708704
Energy: 0.6922291530391224
Energy: 0.650464765904374
Energy: 0.6922291530371925
Energy: 0.6250103730199306
Energy: 0.6313570321093797
Energy: 0.825809452925771
Energy: 0.6313570321132392
Energy: 0.7240532367078372
Energy: 0.6556554488353782
Energy: 0.6271410706828313
Energy: 0.6556554488360216
Energy: 0.6249415741985327
Energy: 0.6656372369162714
Energy: 0.7029132307390658
Energy: 0.6656372369182013
Energy: 0.6569178290876898
Energy: 0.7084024501539207
Energy: 0.6559129391301353
Energy: 0.7084024501558505
Energy: 0.6309764346597929
Energy: 0.649336197964906
Energy: 0.6557883404505398
Energy: 0.6493361979642628
Energy: 0.6335983217707145
Energy: 0.6321424549309824
Energy: 0.6544323202771378
Energy: 0.6321424549303392
Energy: 0.6573669329509407
Energy: 0.6283076466288285
Energy: 0.644321467687499
Energy: 0.6283076466275419
Energy: 0.6169632698119574
Energy: 0.6597422019056823
Energy: 0.7553124429085278
Energy: 0.6597422019050391
Energy: 0.82444150234106
Energy: 0.6280280057248318
Energy: 0.6314970250975459
Energy: 0.628028005725475
Energy: 0.6384101787709909
Energy: 0.648290890439787
Energy: 0.7019846832940915
Energy: 0.6482908904410737
Energy: 0.6249069326663753
Energy: 0.6253335508560398
Energy: 0.6438277703759596
Energy: 0.6253335508560398
Energy: 0.6381127940133615
Energy: 0.7076412433523366
Energy: 0.6509636524611097
Energy: 0.7076412433516932
Energy: 0.6167475532053954
Energy: 0.6530072763906922
Energy: 0.6313035477513862
Energy: 0.6530072763906922
Energy: 0.6391283304698329
Energy: 0.7091461716442807
Energy: 0.6269586687659994
Energy: 0.709146171644924
Energy: 0.6246349683133889
Energy: 0.6318569945716582
Energy: 0.645030743122828
Energy: 0.6318569945710149
Energy: 0.74331834506814
Energy: 0.656187277911313
Energy: 0.6557729337290304
Energy: 0.6561872779119563
Energy: 0.6314077841683216
Energy: 0.6311643470886629
Energy: 0.8150757383795855
Energy: 0.6311643470893062
Energy: 0.6310808370410014
Energy: 0.6523709091230379
Energy: 0.6502842430345019
Energy: 0.6523709091236812
Energy: 0.6378330002210445
Energy: 0.6582215796207709
Energy: 0.6497425531040167
Energy: 0.6582215796207709
Energy: 0.6244864046106887
Energy: 0.6625014094046727
Energy: 0.6904360299426544
Energy: 0.6625014094040296
Energy: 0.6585449103110191
Energy: 0.6484030372172467
Energy: 0.6278551928003867
Energy: 0.6484030372172467
Energy: 0.6282531775283934
Energy: 0.6311116039832996
Energy: 0.7657089741707217
Energy: 0.6311116039832996
Energy: 0.6810491861183418
Energy: 0.6453352570163383
Energy: 0.6650511309690926
Energy: 0.6453352570163383
Energy: 0.6282560644376136
Energy: 0.6311633644651471
Energy: 0.7561148674534983
Energy: 0.6311633644645038

minimum gb energy = 0.6167475532053954 eV
minimum distance =  2.54211797938678 Angstroms
sigma value = 29


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

Energy: 0.5940501271684233
Energy: 0.5810528720791575
Energy: 0.7042953218025018
Energy: 0.5810528720791575
Energy: 0.6594948340553674
Energy: 0.5718356314756927
Energy: 0.5729595186409744
Energy: 0.5718356314759168
Energy: 0.5657428897769987
Energy: 0.6090009462493551
Energy: 0.658269242219819
Energy: 0.6090009462495791
Energy: 0.5937146813338697
Energy: 0.5927465620272955
Energy: 0.672685890177305
Energy: 0.5927465620275195
Energy: 0.594327682531019
Energy: 0.5922477743029639
Energy: 0.6938819132304186
Energy: 0.5922477743031631
Energy: 0.5811073109155591
Energy: 0.6090760027395618
Energy: 0.5811289944788129
Energy: 0.6090760027397609
Energy: 0.5653965181373659
Energy: 0.5923481944705661
Energy: 0.5943284450360014
Energy: 0.5923481944703669
Energy: 0.6719201789811478
Energy: 0.5928565131893694
Energy: 0.5936926540119373
Energy: 0.5928565131895935
Energy: 0.6582251476157098
Energy: 0.6090042735573019
Energy: 0.6043536370849224
Energy: 0.6090042735573019

minimum gb energy = 0.5653965181373659 eV
minimum distance =  2.59984868591157 Angstroms
sigma value = 5


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

Energy: 0.5940116594663086
Energy: 0.5917041605422685
Energy: 0.7131071898107287
Energy: 0.5917041605422685
Energy: 0.6021642085288701
Energy: 0.5866130725855528
Energy: 0.5913690129199164
Energy: 0.5866130725849451
Energy: 0.5818743759441399
Energy: 0.587911878990373
Energy: 0.6954118231047616
Energy: 0.5879118789909807
Energy: 0.5947372106190191
Energy: 0.6144079144762776
Energy: 0.5870365295981521
Energy: 0.6144079144762776
Energy: 0.586081539597627
Energy: 0.6172962947766589
Energy: 0.6803802776007315
Energy: 0.6172962947760514
Energy: 0.6176203611955655
Energy: 0.5922312664993228
Energy: 0.5811052852337574
Energy: 0.5922312664987152
Energy: 0.5839804635371355
Energy: 0.6157040481771118
Energy: 0.5922524632311666
Energy: 0.6157040481771118
Energy: 0.5798364166578426
Energy: 0.5921773542237209
Energy: 0.583447868774799
Energy: 0.5921773542237209
Energy: 0.5831231309183822
Energy: 0.6161631471752984
Energy: 0.5906015775326969
Energy: 0.6161631471752984
Energy: 0.5830022299832304
Energy: 0.6159700315048711
Energy: 0.6026973039452452
Energy: 0.6159700315048711
Energy: 0.592416267763372
Energy: 0.6149030593609478
Energy: 0.5880119308410731
Energy: 0.6149030593609478
Energy: 0.5875993821983656
Energy: 0.6180992071042799
Energy: 0.5931865078659121
Energy: 0.6180992071061028
Energy: 0.6187250888683979
Energy: 0.5917639101412832
Energy: 0.5938156125770733
Energy: 0.5917639101412832
Energy: 0.5919084499228687
Energy: 0.5930047354663107
Energy: 0.6544207083038515
Energy: 0.5930047354669183
Energy: 0.7376409874398958
Energy: 0.5814062445549075
Energy: 0.5879407283337533
Energy: 0.5814062445555153
Energy: 0.583236607256355
Energy: 0.5880625613812218
Energy: 0.7028818821002487
Energy: 0.5880625613812218
Energy: 0.6338085859559892
Energy: 0.5885402907563497
Energy: 0.5920624977474198
Energy: 0.5885402907551345
Energy: 0.5862227035625486
Energy: 0.5919314691452057
Energy: 0.7572075894528161
Energy: 0.5919314691452057
Energy: 0.6691806555115554
Energy: 0.6172936606954103
Energy: 0.5787575880605816
Energy: 0.6172936606954103
Energy: 0.583433708756549
Energy: 0.6449937646704497
Energy: 0.5847538786744075
Energy: 0.6449937646686266
Energy: 0.5928030572617943
Energy: 0.6129586658860262
Energy: 0.5870442739490611
Energy: 0.6129586658860262
Energy: 0.594452659610129
Energy: 0.6159399900771456
Energy: 0.5830536520246944
Energy: 0.6159399900771456
Energy: 0.5894242781200633
Energy: 0.5926732913404363
Energy: 0.5965857641103389
Energy: 0.5926732913398287
Energy: 0.5917150323169392
Energy: 0.6176156484701192
Energy: 0.590521003168845
Energy: 0.6176156484701192
Energy: 0.5971251841665203
Energy: 0.5924418130381564
Energy: 0.5890750421291449
Energy: 0.5924418130375487
Energy: 0.5966493465866926
Energy: 0.5927053119424014
Energy: 0.5859781048542301
Energy: 0.5927053119424014
Energy: 0.5832464250854192
Energy: 0.5785512387233969
Energy: 0.6119041899685002
Energy: 0.5785512387221815
Energy: 0.7093869008852794
Energy: 0.6153318138558401
Energy: 0.5833524284118707
Energy: 0.6153318138546249
Energy: 0.5923067309521124
Energy: 0.586064549867572
Energy: 0.6487821197677605
Energy: 0.5860645498669642
Energy: 0.7619500510344489
Energy: 0.5919415080952217
Energy: 0.5861343980972682
Energy: 0.5919415080946142
Energy: 0.5812696026394831
Energy: 0.5845500334747583
Energy: 0.7406900465514188
Energy: 0.5845500334741507
Energy: 0.674831657014934
Energy: 0.6166557106833941
Energy: 0.5819684582423598
Energy: 0.6166557106840017
Energy: 0.5849926543876536
Energy: 0.6143576112699674
Energy: 0.597876158413507
Energy: 0.6143576112693596

minimum gb energy = 0.5785512387221815 eV
minimum distance =  2.53227237407418 Angstroms
sigma value = 1


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

Energy: 0.6330354229013854
Energy: 0.5706405518176967
Energy: 0.7048453239943866
Energy: 0.5706405518168565
Energy: 0.6042395400438827
Energy: 0.5536328763574728
Energy: 0.5668664585698482
Energy: 0.553632876359153
Energy: 0.5581928877772878
Energy: 0.5663557430368171
Energy: 0.6557225891241013
Energy: 0.566355743035977
Energy: 0.6062406022159248
Energy: 0.5971656836022282
Energy: 0.5664507561530191
Energy: 0.597165683601388
Energy: 0.5574070484831569
Energy: 0.5688770196128948
Energy: 0.7021785916728616
Energy: 0.5688770196128948
Energy: 0.5568822796728918
Energy: 0.5966102714424886
Energy: 0.5663866182165824
Energy: 0.5966102714433288
Energy: 0.5578089510349531
Energy: 0.6156938878056271
Energy: 0.6389711899188327
Energy: 0.6156938878056271
Energy: 0.5571909755712852
Energy: 0.5661201573646923
Energy: 0.5802992568387526
Energy: 0.5661201573646923
Energy: 0.5659372580899882
Energy: 0.5708889118954598
Energy: 0.5789057780330075
Energy: 0.5708889118954598
Energy: 0.5658920299255379
Energy: 0.6641710093257962
Energy: 0.6048282407458185
Energy: 0.6641710093257962
Energy: 0.5572876380094167
Energy: 0.5666182646984272
Energy: 0.5638550241157697
Energy: 0.5666182646992673
Energy: 0.5568607580897621
Energy: 0.6085317425677794
Energy: 0.6582967284711964
Energy: 0.6085317425677794
Energy: 0.553778178425905
Energy: 0.5963734718486435
Energy: 0.5670002530305945
Energy: 0.5963734718486435
Energy: 0.5539114352614191
Energy: 0.5706609202598909
Energy: 0.7006537813873666
Energy: 0.5706609202598909
Energy: 0.6093718592885556
Energy: 0.5967525574726559
Energy: 0.5671519074100523
Energy: 0.5967525574726559
Energy: 0.5582245707724537
Energy: 0.5664068695579743
Energy: 0.5668942678856405
Energy: 0.566406869557134
Energy: 0.6427976172339814
Energy: 0.5540169312531651
Energy: 0.5659370857446755
Energy: 0.5540169312540053
Energy: 0.6330354229013854
Energy: 0.5706405518168565
Energy: 0.7752709703989228
Energy: 0.5706405518168565
Energy: 0.6042395400438827
Energy: 0.5536328763583129
Energy: 0.5668664585698482
Energy: 0.5536328763583129
Energy: 0.5581928877781278
Energy: 0.5663557430368171
Energy: 0.655722603240434
Energy: 0.5663557430368171
Energy: 0.606240602629962
Energy: 0.5971656836022282
Energy: 0.5664507561530191
Energy: 0.5971656836022282
Energy: 0.5574070484823168
Energy: 0.568877019613735
Energy: 0.7021785916678204
Energy: 0.5688770196128948
Energy: 0.5568822796737322
Energy: 0.5966102714424886
Energy: 0.5663866182165824
Energy: 0.5966102714433288
Energy: 0.5578089510349531
Energy: 0.6156938878056271
Energy: 0.5646408536412733
Energy: 0.6156938878056271

minimum gb energy = 0.5536328763574728 eV
minimum distance =  2.54386252072719 Angstroms
sigma value = 17


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

Energy: 0.5628301611947611
Energy: 0.5629407844787052
Energy: 0.6947206509996261
Energy: 0.5629407844797437
Energy: 0.5889459175495986
Energy: 0.5608800803797654
Energy: 0.5561531245938534
Energy: 0.5608800803792461
Energy: 0.5543792330118579
Energy: 0.5569686683301137
Energy: 0.5987715476812371
Energy: 0.5569686683280837
Energy: 0.6492220883661423
Energy: 0.549914013280347
Energy: 0.5532691406969756
Energy: 0.5499140132808662
Energy: 0.5546712789847402
Energy: 0.5914430428995303
Energy: 0.7004749789870566
Energy: 0.5914430429000497
Energy: 0.567371912854779
Energy: 0.6522738563824607
Energy: 0.5596684382021314
Energy: 0.6522738563834994
Energy: 0.5669505848188786
Energy: 0.5825524128793834
Energy: 0.5595603184560207
Energy: 0.5825524128788641
Energy: 0.5492264092676113
Energy: 0.6537435145133079
Energy: 0.5535879223938035
Energy: 0.6537435145138273
Energy: 0.5642179912663606
Energy: 0.65760813901354
Energy: 0.5680300516056854
Energy: 0.65760813901354
Energy: 0.5565523706458795
Energy: 0.5820535472480151
Energy: 0.5607233900955155
Energy: 0.5820535472480151
Energy: 0.5571948477791713
Energy: 0.6480390673547641
Energy: 0.5575607758462232
Energy: 0.6480390673547641
Energy: 0.5508647842542416
Energy: 0.5813330266263982
Energy: 0.5471694431621024
Energy: 0.5813330266258789
Energy: 0.5505457078358482
Energy: 0.6529313517588158
Energy: 0.5557884032453886
Energy: 0.6529313517588158
Energy: 0.5621447058517189
Energy: 0.5897933491518513
Energy: 0.563026997412475
Energy: 0.5897933491508126
Energy: 0.5588153638674757
Energy: 0.6477891212337317
Energy: 0.5684872213347515
Energy: 0.6477891212332123
Energy: 0.5574718394476247
Energy: 0.5574341339245044
Energy: 0.6406786671599576
Energy: 0.5574341339245044
Energy: 0.5805202369392907
Energy: 0.6475379347051379
Energy: 0.5555963231926813
Energy: 0.6475379347046187
Energy: 0.5504170853617235
Energy: 0.5632503901873539
Energy: 0.7600768771037792
Energy: 0.5632503901878732
Energy: 0.6316736696316085
Energy: 0.5835000907600508
Energy: 0.5558635560714168
Energy: 0.5835000907605701
Energy: 0.5569415247431867
Energy: 0.5568341896399523
Energy: 0.7104733553757833
Energy: 0.556834189639433
Energy: 0.5693560805800635
Energy: 0.5562885971748425
Energy: 0.5655334294052983
Energy: 0.5562885971732845
Energy: 0.5657445298424572
Energy: 0.5643428105396328
Energy: 0.5698971996446945
Energy: 0.5643428105406715
Energy: 0.6067468505722516
Energy: 0.5564336905223211
Energy: 0.5580070763333691
Energy: 0.5564336905228403
Energy: 0.5562009729910868
Energy: 0.5832732121236027
Energy: 0.6432976227465526
Energy: 0.5832732121236027
Energy: 0.6836832259597876
Energy: 0.5633043998811569
Energy: 0.5514983088552196
Energy: 0.5633043998806375
Energy: 0.5571803130791111
Energy: 0.5909684947587859
Energy: 0.5555785218288579
Energy: 0.5909684947587859
Energy: 0.620304373162262
Energy: 0.5794621202003017
Energy: 0.5586209297592412
Energy: 0.5794621201997824
Energy: 0.5712603885159626
Energy: 0.6484267980583831
Energy: 0.5601389973077798
Energy: 0.6484267980578637
Energy: 0.563120657343595
Energy: 0.5895066722113421
Energy: 0.5637835823225977
Energy: 0.5895066722113421
Energy: 0.5572408121822765
Energy: 0.6532379760467936
Energy: 0.5655090333084056
Energy: 0.6532379760462742
Energy: 0.5558969762311659
Energy: 0.5892268050479336
Energy: 0.5588639335499525
Energy: 0.5892268050468948
Energy: 0.5538637718967279
Energy: 0.6468598420784247
Energy: 0.5552223886520732
Energy: 0.6468598420779054
Energy: 0.5587260684435635
Energy: 0.5823625338746623
Energy: 0.6272279075290652
Energy: 0.582362533874143
Energy: 0.5774305874556969
Energy: 0.6566607267692817
Energy: 0.5618988742913359
Energy: 0.656660726769801
Energy: 0.5532972566888003
Energy: 0.563672808222553
Energy: 0.5772186728475434
Energy: 0.5636728082235916
Energy: 0.5601753418090277
Energy: 0.5834946263576964
Energy: 0.568088733153826
Energy: 0.5834946263602929
Energy: 0.5579145874543732
Energy: 0.6517012434705085
Energy: 0.5691575552812669
Energy: 0.6517012434705085
Energy: 0.590067753372937
Energy: 0.5923423228277684
Energy: 0.5577640613724516
Energy: 0.5923423228272492

minimum gb energy = 0.5471694431621024 eV
minimum distance =  2.53491194144746 Angstroms
sigma value = 89


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

Energy: 0.49260981888041594
Energy: 0.4926762959387401
Energy: 0.6777784118786827
Energy: 0.4926762959387401
Energy: 0.49282983032290056
Energy: 0.5088476462982301
Energy: 0.5031903949782819
Energy: 0.5088476462982301
Energy: 0.50141107395916
Energy: 0.5728033470718734
Energy: 0.6433974456566592
Energy: 0.5728033470718734
Energy: 0.6319152700975312
Energy: 0.5088411740788977
Energy: 0.5033059673007295
Energy: 0.5088411740788977
Energy: 0.5013122025254158
Energy: 0.4935708403321894
Energy: 0.7377768985359694
Energy: 0.4935708403321894
Energy: 0.5013863011466096
Energy: 0.49285149879143475
Energy: 0.4925455600795264
Energy: 0.49285149879143475
Energy: 0.5016539770250565
Energy: 0.5730628129963399
Energy: 0.4928348655535177
Energy: 0.5730628129963399
Energy: 0.5058349288114458
Energy: 0.6663006989623902
Energy: 0.5031111686419458
Energy: 0.6663006989623902
Energy: 0.5014153030451977
Energy: 0.532149117159811
Energy: 0.6290115033961063
Energy: 0.532149117159811
Energy: 0.5088303709448906
Energy: 0.6205586455984925
Energy: 0.501291724461371
Energy: 0.6205586455998513
Energy: 0.49260238535200435
Energy: 0.5089003133148764
Energy: 0.5013541282161118
Energy: 0.5089003133135176
Energy: 0.492632834251617
Energy: 0.5712480541150825
Energy: 0.5032209377572721
Energy: 0.5712480541150825
Energy: 0.5013727491125934
Energy: 0.5305060828003576
Energy: 0.5043910435895448
Energy: 0.5305060828003576
Energy: 0.5014102510482201
Energy: 0.5300779036404313
Energy: 0.5015285909764716
Energy: 0.5300779036404313
Energy: 0.49536411014653514
Energy: 0.5305282251177323
Energy: 0.5013009205717568
Energy: 0.5305282251177323

minimum gb energy = 0.4925455600795264 eV
minimum distance =  2.55347385536355 Angstroms
sigma value = 13


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

Energy: 0.5015671432791761
Energy: 0.6552364790597774
Energy: 0.6403284639266466
Energy: 0.655236479060347
Energy: 0.5277648083728568
Energy: 0.5876779868261205
Energy: 0.4912846333683947
Energy: 0.5876779868295375
Energy: 0.49270424739320196
Energy: 0.5808062285702713
Energy: 0.5653224830039071
Energy: 0.5808062285679934
Energy: 0.49280478983611686
Energy: 0.5895202599527012
Energy: 0.4882089510427415
Energy: 0.5895202600614246
Energy: 0.49623136734600043
Energy: 0.5875789758428664
Energy: 0.5295763357133351
Energy: 0.5875789758451445
Energy: 0.48563655532213984
Energy: 0.5053426711417741
Energy: 0.4915970005456739
Energy: 0.5053426711417741
Energy: 0.49641966907660684
Energy: 0.693956867197378
Energy: 0.6356452097931171
Energy: 0.6939568671951002
Energy: 0.48666306604945003
Energy: 0.5919707154215529
Energy: 0.49157628825876776
Energy: 0.5919707118973369
Energy: 0.4960860643802018
Energy: 0.5911643994007648
Energy: 0.577419187467021
Energy: 0.5911643993990564
Energy: 0.5753388748605323
Energy: 0.5276459824958808
Energy: 0.48829400333079936
Energy: 0.5276459824941722
Energy: 0.4980254547436408
Energy: 0.5278559786730812
Energy: 0.49183960463525445
Energy: 0.5278559786713727
Energy: 0.5957115523196788
Energy: 0.596170733690657
Energy: 0.4926188630455998
Energy: 0.596170733689518
Energy: 0.5083630470544436
Energy: 0.49651199168891264
Energy: 0.500281286398977
Energy: 0.4965119916877736
Energy: 0.6085113009369687
Energy: 0.5275765943531119
Energy: 0.4928345616421006
Energy: 0.5275765943542507
Energy: 0.4965773887646508
Energy: 0.4916440333596877
Energy: 0.4858509874790536
Energy: 0.49164403336025725
Energy: 0.4840510728577145
Energy: 0.5276238593661025
Energy: 0.4868399973831779
Energy: 0.5276238593661025
Energy: 0.4921177038455062
Energy: 0.5143532833893729
Energy: 0.48720817409143263
Energy: 0.5143532833916509
Energy: 0.49140126733924444
Energy: 0.5197662001412923
Energy: 0.48986138824932196
Energy: 0.5197662001424312
Energy: 0.49250449638396876
Energy: 0.5226256215318227
Energy: 0.48985340534720756
Energy: 0.5226256215323922
Energy: 0.4924781536543863
Energy: 0.5229610365949899
Energy: 0.4898216411308388
Energy: 0.522961036596129
Energy: 0.49103599552580135
Energy: 0.5197993932685435
Energy: 0.48987916900732575
Energy: 0.5197993932674045
Energy: 0.49222554918520384
Energy: 0.5141832487405495
Energy: 0.48703180725469253
Energy: 0.5141832487422581
Energy: 0.4841714020285814
Energy: 0.5276426903673193
Energy: 0.4867862947298018
Energy: 0.5276426903667497
Energy: 0.4964603055453343
Energy: 0.49171765472100054
Energy: 0.4878913258983752
Energy: 0.4917176547221395
Energy: 0.6086855829775649
Energy: 0.5275042102121644
Energy: 0.492846098780747
Energy: 0.5275042102133035
Energy: 0.508219835516008
Energy: 0.4963960285080027
Energy: 0.48757268934010095
Energy: 0.4963960285080027
Energy: 0.5956752207165062
Energy: 0.5975151557171929
Energy: 0.49250658117558266
Energy: 0.59751515572061
Energy: 0.49620913417668894
Energy: 0.5278964406244051
Energy: 0.48528255908187623
Energy: 0.5278964406238613
Energy: 0.5746571097481237
Energy: 0.5983269055067274
Energy: 0.4882991278897168
Energy: 0.5983269046909916
Energy: 0.4985342003748588
Energy: 0.5907149369326881
Energy: 0.5444903163898602
Energy: 0.5907149369343966
Energy: 0.48664048454325776
Energy: 0.5871845626041945
Energy: 0.49156453070010386
Energy: 0.586301376405113
Energy: 0.4990053645155945
Energy: 0.6938675518927843
Energy: 0.5869363649797127
Energy: 0.6938675518927843
Energy: 0.4857612148735267
Energy: 0.5055670243730124
Energy: 0.4916641252614764
Energy: 0.5055670243730124
Energy: 0.49620563517113164
Energy: 0.5873895577016672
Energy: 0.6347122072784651
Energy: 0.5873895577016672
Energy: 0.49616701476421
Energy: 0.592452045401059
Energy: 0.4882127846702456
Energy: 0.5924520454004897

minimum gb energy = 0.4840510728577145 eV
minimum distance =  2.46667884274259 Angstroms
sigma value = 37


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

Energy: 0.5322859957793398
Energy: 0.5423292255397446
Energy: 0.4550359541943482
Energy: 0.5423292255397446
Energy: 0.5247373728946159
Energy: 0.5861834264819541
Energy: 0.4512068356483078
Energy: 0.5861834264819541
Energy: 0.4603575409317659
Energy: 0.6007512992766183
Energy: 0.60222267544957
Energy: 0.6007512992717192
Energy: 0.48935866017796886
Energy: 0.46167032699293103
Energy: 0.45321266503570173
Energy: 0.46167032699097144
Energy: 0.45265321313443735
Energy: 0.5864428913897117
Energy: 0.4759257822827133
Energy: 0.5864428913887318
Energy: 0.4552562612016544
Energy: 0.652251017584914
Energy: 0.510033620632408
Energy: 0.6522510175858937
Energy: 0.4593370151940733
Energy: 0.7154605211763032
Energy: 0.5836504126417073
Energy: 0.7154605211772831
Energy: 0.442870462389265
Energy: 0.46160244919161414
Energy: 0.4634153672484642
Energy: 0.46160244919161414
Energy: 0.4519715487677361
Energy: 0.5866621179202277
Energy: 0.5424422802508355
Energy: 0.5866621179202277
Energy: 0.6025124902776259
Energy: 0.5966064795953305
Energy: 0.5100241891784754
Energy: 0.5966064795943508
Energy: 0.46112621645963187
Energy: 0.6871869831378081
Energy: 0.49538320947028824
Energy: 0.6871869831378081
Energy: 0.6077901598061761
Energy: 0.4614938014031059
Energy: 0.45330140438006594
Energy: 0.4614938014031059
Energy: 0.5082254372931344
Energy: 0.5865490958723237
Energy: 0.4496214416885746
Energy: 0.5865490958723237
Energy: 0.5981882473296888
Energy: 0.7139239696846991
Energy: 0.44568806646059594
Energy: 0.7139239696846991
Energy: 0.532329020209692
Energy: 0.4840757635702972
Energy: 0.4458701709583757
Energy: 0.4840757635702972
Energy: 0.5268776991761736
Energy: 0.5870180029896106
Energy: 0.4512202188100558
Energy: 0.5870180029896106
Energy: 0.5081767440325143
Energy: 0.5872290489461336
Energy: 0.451787122819935
Energy: 0.5872290489451538
Energy: 0.4957072379539677
Energy: 0.6874714589677274
Energy: 0.4523557508045716
Energy: 0.6874714589677274
Energy: 0.4523306828093365
Energy: 0.4613876998949746
Energy: 0.4512540717359132
Energy: 0.4613876998949746
Energy: 0.4504836082287249
Energy: 0.5871740842249313
Energy: 0.505870532531032
Energy: 0.5871740842249313

minimum gb energy = 0.442870462389265 eV
minimum distance =  2.54305415571636 Angstroms
sigma value = 25


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

Energy: 0.43093828114220045
Energy: 0.6093176770470019
Energy: 0.5719345464738329
Energy: 0.6093176770470019
Energy: 0.49123850507845657
Energy: 0.6192532402841505
Energy: 0.41231428639826617
Energy: 0.6192532402841505
Energy: 0.40764225384902436
Energy: 0.4077334523916719
Energy: 0.736621124221903
Energy: 0.4077334523916719
Energy: 0.4179389677449036
Energy: 0.6182776226200946
Energy: 0.4110988718548646
Energy: 0.6182776226200946
Energy: 0.41157467106052936
Energy: 0.6192815302754322
Energy: 0.4195826984281953
Energy: 0.6192815302754322
Energy: 0.4008406638219408
Energy: 0.6178701178217896
Energy: 0.41240473620733253
Energy: 0.6178701178217896
Energy: 0.4120924247948502
Energy: 0.5127204765093722
Energy: 0.4173461306320034
Energy: 0.5127204765093722
Energy: 0.40011955147544526
Energy: 0.5340717432126094
Energy: 0.4086283681203527
Energy: 0.534071743136899
Energy: 0.41144907275207854
Energy: 0.617231742013
Energy: 0.4917246051562541
Energy: 0.6172317420137652
Energy: 0.3995008583432192
Energy: 0.5137786237871905
Energy: 0.4318704162489352
Energy: 0.5137786238239156
Energy: 0.4120439630516038
Energy: 0.40921822389179136
Energy: 0.5524413983322997
Energy: 0.40921822389179136
Energy: 0.5099534701323019
Energy: 0.6508716779932142
Energy: 0.4087591385600923
Energy: 0.6508716779932142
Energy: 0.41154398211531346
Energy: 0.6176581089152078
Energy: 0.47668458669994684
Energy: 0.6176581089152078
Energy: 0.52091908227014
Energy: 0.6299487637545814
Energy: 0.41235268434692124
Energy: 0.6299487637545814
Energy: 0.4119582723401485
Energy: 0.4093154007674843
Energy: 0.39858788520047805
Energy: 0.4093154007674843
Energy: 0.4990557956328478
Energy: 0.6371178466783282
Energy: 0.4110759389690394
Energy: 0.6371178466783282
Energy: 0.41149144566311185
Energy: 0.5331848863216889
Energy: 0.4003314265957869
Energy: 0.533184886322454
Energy: 0.4894888419890094
Energy: 0.6175656806843516
Energy: 0.4124635544776264
Energy: 0.6175656806843516
Energy: 0.4348035582211549
Energy: 0.5122192571635281
Energy: 0.3989703724050427
Energy: 0.512219257185716
Energy: 0.5521928381193052
Energy: 0.635572194052364
Energy: 0.4110922549960403
Energy: 0.6355721940515988
Energy: 0.41166001339222974
Energy: 0.6507428683191799
Energy: 0.4037721522550669
Energy: 0.6507428683191799
Energy: 0.40804968068039704
Energy: 0.6165672665652907
Energy: 0.4125883280342127
Energy: 0.6165672665652907
Energy: 0.41209508306795395
Energy: 0.6282372935651145
Energy: 0.521228494944064
Energy: 0.6282372935643493
Energy: 0.4026679856001868
Energy: 0.6345775816590706
Energy: 0.41109974577492264
Energy: 0.6345775816552451
Energy: 0.4112369922681871
Energy: 0.650832080266263
Energy: 0.4963157329300562
Energy: 0.6508320802670281
Energy: 0.39910993597128286
Energy: 0.53282691257774
Energy: 0.4077697402185604
Energy: 0.5328269125785051

minimum gb energy = 0.39858788520047805 eV
minimum distance =  2.48409723036399 Angstroms
sigma value = 41


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

Energy: 0.5318382317908831
Energy: 0.5566139357949496
Energy: 0.5355425881650147
Energy: 0.5566139357962041
Energy: 0.5047449260606859
Energy: 0.5490312717191792
Energy: 0.37215364065325646
Energy: 0.5490312717191792
Energy: 0.3820693965195474
Energy: 0.5475246873696412
Energy: 0.6965464018535102
Energy: 0.5475246873690139
Energy: 0.44410055855363917
Energy: 0.5475467619491309
Energy: 0.37210838025559473
Energy: 0.5475467619503854
Energy: 0.36919588241436624
Energy: 0.5628062985327088
Energy: 0.3857685383255929
Energy: 0.5628062985327088
Energy: 0.38295689599894667
Energy: 0.5460302722935252
Energy: 0.37202875212798553
Energy: 0.5460302722928979
Energy: 0.3715670155456853
Energy: 0.5468618561690062
Energy: 0.3834918608097196
Energy: 0.5468618561690062
Energy: 0.3654457979892807
Energy: 0.46792933710329737
Energy: 0.36985835541659684
Energy: 0.46792933710329737
Energy: 0.3737886332521644
Energy: 0.5786374828687476
Energy: 0.538534120178083
Energy: 0.5786374828681203
Energy: 0.36934214072596133
Energy: 0.37299618730988493
Energy: 0.38256765899608036
Energy: 0.372996187408935
Energy: 0.37162285381085464
Energy: 0.5450399366335091
Energy: 0.5048885199352247
Energy: 0.5450399366335091
Energy: 0.3649442664541739
Energy: 0.5543776179122573
Energy: 0.5323783178935286
Energy: 0.5543776179122573
Energy: 0.37375957508455154
Energy: 0.5780318780563346
Energy: 0.5052520515673299
Energy: 0.578031878056962
Energy: 0.4593276386692443
Energy: 0.49563465248168975
Energy: 0.3826195313516411
Energy: 0.495634652482317
Energy: 0.3715132270047338
Energy: 0.5449684367099494
Energy: 0.4901614851031522
Energy: 0.5449684367099494
Energy: 0.4666899134247287
Energy: 0.5778415425290805
Energy: 0.3698152635691823
Energy: 0.5778415425297077
Energy: 0.3737231872797133
Energy: 0.5778959457847239
Energy: 0.42705176033948816
Energy: 0.5778959457847239
Energy: 0.46081693402343255
Energy: 0.49630756344500543
Energy: 0.37206885970035997
Energy: 0.49630756344500543
Energy: 0.3715503375223416
Energy: 0.46780333793831963
Energy: 0.36556692923410766
Energy: 0.46780333793831963
Energy: 0.449789581611005
Energy: 0.5779299228974185
Energy: 0.37363724774128143
Energy: 0.5779299228980458
Energy: 0.38430850728129795
Energy: 0.5774544044120318
Energy: 0.3666551492699895
Energy: 0.5774544044120318
Energy: 0.5887391373827578
Energy: 0.6067673820923691
Energy: 0.372125599892646
Energy: 0.6067673820923691
Energy: 0.5337070241497331
Energy: 0.5549584804844386
Energy: 0.3651157783741426
Energy: 0.5549584804838114
Energy: 0.5024956854051115
Energy: 0.5773271436849378
Energy: 0.3738288537350557
Energy: 0.5773271436849378
Energy: 0.38429093070212883
Energy: 0.5777244423867016
Energy: 0.3681488786684716
Energy: 0.5777244423867016
Energy: 0.4881757955080015
Energy: 0.6057133569018766
Energy: 0.37206870867131636
Energy: 0.6057133569012493
Energy: 0.3715279607796133
Energy: 0.575993521722648
Energy: 0.46787999336063174
Energy: 0.5759935217232752
Energy: 0.3736385042160957
Energy: 0.57649547762855
Energy: 0.3763315375939086
Energy: 0.57649547762855
Energy: 0.37384211100180975
Energy: 0.5993816393810446
Energy: 0.46415914866280067
Energy: 0.59938163937979
Energy: 0.3696744278178559
Energy: 0.5951247076822931
Energy: 0.3743266503628648
Energy: 0.5951247076822931
Energy: 0.3718641341098177
Energy: 0.5760689772802233
Energy: 0.45146394445143645
Energy: 0.5760689772802233
Energy: 0.368254233359828
Energy: 0.5762628193569902
Energy: 0.386900403855799
Energy: 0.5762628193569902

minimum gb energy = 0.3649442664541739 eV
minimum distance =  2.4772779363647 Angstroms
sigma value = 15


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

Energy: 0.5299810988654471
Energy: 0.5517814572368909
Energy: 0.5118901642715351
Energy: 0.5517814572374222
Energy: 0.5753925172909313
Energy: 0.5235677457460827
Energy: 0.34979362608406606
Energy: 0.5235677457471455
Energy: 0.3953985857685528
Energy: 0.5192163414838757
Energy: 0.4275031233732177
Energy: 0.5192163414844071
Energy: 0.4999217358307388
Energy: 0.5117902955921823
Energy: 0.34978176356600654
Energy: 0.5117902955730527
Energy: 0.38226094071538824
Energy: 0.549411992838496
Energy: 0.35572507670774933
Energy: 0.5494119928390273
Energy: 0.44862546198957287
Energy: 0.5239053256263602
Energy: 0.34997122805317893
Energy: 0.5239053256263602
Energy: 0.3526833742275897
Energy: 0.5016255430574033
Energy: 0.38183365389803037
Energy: 0.5016255430589974
Energy: 0.38197546448022557
Energy: 0.5039760875927838
Energy: 0.3534983326976429
Energy: 0.5039760875927838
Energy: 0.35092621001896407
Energy: 0.5471515618857687
Energy: 0.47434687034030365
Energy: 0.5471515618857687
Energy: 0.36530170766338593
Energy: 0.5401698789510352
Energy: 0.38252027428988994
Energy: 0.5401698789510352
Energy: 0.349482752287069
Energy: 0.5199369458709268
Energy: 0.5009665763993367
Energy: 0.519936945874115
Energy: 0.3463415273914707
Energy: 0.5126870044669167
Energy: 0.3956010365240911
Energy: 0.5126870044685109
Energy: 0.3509233097158231
Energy: 0.5518211599530912
Energy: 0.5805593667754705
Energy: 0.5518211599546854
Energy: 0.35157373496752486
Energy: 0.5540708016834447
Energy: 0.48510311742163625
Energy: 0.554070801682382
Energy: 0.3494110524816315
Energy: 0.5221194992292288
Energy: 0.5410544380358556
Energy: 0.522119499228166
Energy: 0.4217946551674253
Energy: 0.5121972427825389
Energy: 0.3956303367630401
Energy: 0.5121972427825389
Energy: 0.3508420049442706
Energy: 0.5421349018715058
Energy: 0.5016987301903345
Energy: 0.5421349018730999
Energy: 0.4331794968697546
Energy: 0.5596609621626545
Energy: 0.3826561291895975
Energy: 0.5596609621626545
Energy: 0.35040284696185386
Energy: 0.5222454176766912
Energy: 0.449801605364169
Energy: 0.5222454176756284
Energy: 0.4464125442390235
Energy: 0.5218547231398909
Energy: 0.3533932709593901
Energy: 0.5218547231414851
Energy: 0.3549231716625824
Energy: 0.5333815677733758
Energy: 0.3830919633753204
Energy: 0.5333815677744385
Energy: 0.4591901613045636
Energy: 0.5585199713878511
Energy: 0.35264892788732194
Energy: 0.558519971386257
Energy: 0.383627652596667
Energy: 0.5319886161725514
Energy: 0.3641655962195809
Energy: 0.5319886161725514
Energy: 0.5613649202893375
Energy: 0.5218757471861513
Energy: 0.3497855960167882
Energy: 0.5218757471866826
Energy: 0.39679863738041676
Energy: 0.5434582842384106
Energy: 0.36978607688342896
Energy: 0.5434582842405361
Energy: 0.5815209770576912
Energy: 0.5531667720559394
Energy: 0.35251343200278623
Energy: 0.5531667720564709
Energy: 0.5310410378555855
Energy: 0.5485516332955274
Energy: 0.3382655269601156
Energy: 0.5485516332944647
Energy: 0.6505674211499638
Energy: 0.5221661100286491
Energy: 0.3497046119699214
Energy: 0.5221661100286491
Energy: 0.39684055510594946
Energy: 0.5595001576238479
Energy: 0.3448489093832822
Energy: 0.5595001576254419
Energy: 0.4975719624241642
Energy: 0.5415962598394471
Energy: 0.3526523331148648
Energy: 0.5415962598409929
Energy: 0.38369848489757147
Energy: 0.5471206047396717
Energy: 0.4280207581455979
Energy: 0.547120604740203
Energy: 0.4924143321594613
Energy: 0.5215727007119527
Energy: 0.35142856650810367
Energy: 0.5215727007130154
Energy: 0.35492187882883103
Energy: 0.5594977167034537
Energy: 0.4563511743213209
Energy: 0.5594977167013283
Energy: 0.37841317070366387
Energy: 0.5329679999120823
Energy: 0.35697263608287255
Energy: 0.5329679999126137
Energy: 0.3476071817664755
Energy: 0.547151633883857
Energy: 0.455753332012858
Energy: 0.5471516338843885
Energy: 0.37623546740715585
Energy: 0.5310288499540177
Energy: 0.38528854276349406
Energy: 0.5310288499534862
Energy: 0.3508066332649421
Energy: 0.559768811323176
Energy: 0.5576910323339336
Energy: 0.559768811323176

minimum gb energy = 0.3382655269601156 eV
minimum distance =  2.56175200561075 Angstroms
sigma value = 85


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

Energy: 0.4955204995689198
Energy: 0.5177673464774041
Energy: 0.4215714028987341
Energy: 0.5177673464778649
Energy: 0.5949908515375152
Energy: 0.48299487770463345
Energy: 0.3192632384623899
Energy: 0.4829948778608036
Energy: 0.47649129922055194
Energy: 0.4744734348568195
Energy: 0.38002410361587136
Energy: 0.4744734348605063
Energy: 0.5251583963301044
Energy: 0.4791062205706723
Energy: 0.3192877764645014
Energy: 0.4791062205923119
Energy: 0.363576404111073
Energy: 0.4581299335100556
Energy: 0.33459643323088445
Energy: 0.4581299335100556
Energy: 0.4600818238709969
Energy: 0.4734779140758688
Energy: 0.3189979648477627
Energy: 0.47347791696651326
Energy: 0.34725058097940387
Energy: 0.46455599295508365
Energy: 0.3591835324482521
Energy: 0.46455599292604927
Energy: 0.41613970951570006
Energy: 0.47885246243516455
Energy: 0.32318772716715477
Energy: 0.47885246243516455
Energy: 0.32234541907342057
Energy: 0.4489016855729323
Energy: 0.4028085213361945
Energy: 0.4489016856927151
Energy: 0.35899733008054263
Energy: 0.46095687833915927
Energy: 0.34785900257279023
Energy: 0.4609568774924681
Energy: 0.3202107842636554
Energy: 0.4815089116199891
Energy: 0.4604148483353158
Energy: 0.4815089071124239
Energy: 0.3286594600529833
Energy: 0.49432585231473597
Energy: 0.3639674461279534
Energy: 0.49432585231565773
Energy: 0.3188945399426815
Energy: 0.44868422506776634
Energy: 0.5639591417578599
Energy: 0.44868422504057537
Energy: 0.30796613573924714
Energy: 0.47311475173072093
Energy: 0.476828303309871
Energy: 0.4731147517703552
Energy: 0.3203512233484635
Energy: 0.4790645388677276
Energy: 0.5956837157288759
Energy: 0.4790645389050576
Energy: 0.3047655583125483
Energy: 0.50629687074208
Energy: 0.45642780435094854
Energy: 0.5062968707430016
Energy: 0.31884877374517084
Energy: 0.4486205126991926
Energy: 0.5649225787980082
Energy: 0.44862051270887077
Energy: 0.3687106664479303
Energy: 0.4728895055893922
Energy: 0.47688493942564925
Energy: 0.4728895055511615
Energy: 0.32012862959054134
Energy: 0.4790981145145038
Energy: 0.5261759791005914
Energy: 0.4790981145158864
Energy: 0.3799651011151079
Energy: 0.5160275941935603
Energy: 0.36398131429234865
Energy: 0.5160275941940211
Energy: 0.3193686922883341
Energy: 0.4238724228722217
Energy: 0.4945656048679222
Energy: 0.42387242287268256
Energy: 0.39940791402436976
Energy: 0.4795179820573263
Energy: 0.347657219001406
Energy: 0.47951798205502205
Energy: 0.32316455359839164
Energy: 0.47884536924716303
Energy: 0.4165867729535454
Energy: 0.4788453702698414
Energy: 0.4021456871315294
Energy: 0.513087826264355
Energy: 0.32300959864213397
Energy: 0.5130878262648159
Energy: 0.34881727108905775
Energy: 0.4265052979773639
Energy: 0.3594594168615775
Energy: 0.42650529797782477
Energy: 0.5020991839181128
Energy: 0.4798053160431865
Energy: 0.31921243494586893
Energy: 0.47980531687054234
Energy: 0.36507319378501246
Energy: 0.49127377827608687
Energy: 0.32731419527387096
Energy: 0.4912737782742435
Energy: 0.49538217988592315
Energy: 0.5132048327547842
Energy: 0.31927118575640206
Energy: 0.5132048327552451
Energy: 0.47763650459615
Energy: 0.4764618354140282
Energy: 0.33055189597056095
Energy: 0.47646183541448905
Energy: 0.6433808757233492
Energy: 0.4790622521005371
Energy: 0.3197177069630048
Energy: 0.4790624604268901
Energy: 0.49675274355593313
Energy: 0.5116477143140532
Energy: 0.30649910606494396
Energy: 0.5116477143094655
Energy: 0.5869624501817549
Energy: 0.5146341651485707
Energy: 0.31927677453181375
Energy: 0.514634165147649
Energy: 0.47772756961712304
Energy: 0.47377809612241173
Energy: 0.30745989540951163
Energy: 0.47377809612056826
Energy: 0.5773147043740273
Energy: 0.4792153331814704
Energy: 0.3197090632559337
Energy: 0.47921533318239207
Energy: 0.36509712078358086
Energy: 0.5095210593434344
Energy: 0.3788653875331862
Energy: 0.5095210593434344
Energy: 0.43728274628451563
Energy: 0.5050875206371519
Energy: 0.3203914827702497
Energy: 0.505087521341038
Energy: 0.3486050403272854
Energy: 0.4792066185185455
Energy: 0.39932018934864094
Energy: 0.4792066185185455
Energy: 0.4309994639857667
Energy: 0.4787001185706695
Energy: 0.32234811425394644
Energy: 0.4787001185706695
Energy: 0.3231773442631626
Energy: 0.5098333054799975
Energy: 0.4022732161937528
Energy: 0.5098333054804582
Energy: 0.3308852283385914
Energy: 0.4987404742572726
Energy: 0.3425783899996535
Energy: 0.4987404742568118
Energy: 0.31900321362052886
Energy: 0.47903657251461995
Energy: 0.502267968510107
Energy: 0.4790365725150808
Energy: 0.32689018416702637
Energy: 0.4898627694629245
Energy: 0.3664428600032758
Energy: 0.48986276837622783
Energy: 0.3202184856346068
Energy: 0.5097801350760864
Energy: 0.4952888521842777
Energy: 0.5097801350765474

minimum gb energy = 0.3047655583125483 eV
minimum distance =  2.5592273007018 Angstroms
sigma value = 113


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

Energy: 0.011733830893401754
Energy: 0.013071489906104194
Energy: 0.3930789570881384
Energy: 0.013071489906458483
Energy: 0.39261195084282324
Energy: 0.17518083569354054
Energy: 0.1755583705992817
Energy: 0.17518083569354054
Energy: 0.011733830893401754
Energy: 0.013071489906104194
Energy: 0.393079822562283
Energy: 0.013071489906458483
Energy: 0.39261195084282324
Energy: 0.17518083569318627
Energy: 0.17555326494829646
Energy: 0.17518083569354054
Energy: 0.01173383089373636
Energy: 0.013071489906104194
Energy: 0.3930805681128892
Energy: 0.013071489906812771
Energy: 0.3926119508431578
Energy: 0.17518083569354054
Energy: 0.17555411401412427
Energy: 0.17518083569354054

minimum gb energy = 0.011733830893401754 eV
minimum distance =  2.83530824446067 Angstroms
sigma value = 1