Model name: model_name=EAM_Dynamo_JacobsenNorskovPuska_1987_Al__MO_411692133366_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=3.987558534741402
cohesive_energy=1.5777628711097502
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: -1.81000000000002 eV

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

Energy: 0.005028111667765877
Energy: 0.005650120758585278
Energy: 0.005650120758585278
Energy: 0.005650120760597119
Energy: 0.005650120759086447
Energy: 0.544464607011545
Energy: 0.005650120760095949
Energy: 0.5444646070120533
Energy: 0.5444646070120533
Energy: 0.005650120761606619
Energy: 0.005028111667765877
Energy: 0.005650120760597119
Energy: 0.0056501207631172905
Energy: 0.5444646070120533
Energy: 0.005650120761105449
Energy: 0.544464607011545

minimum gb energy = 0.005028111667765877 eV
minimum distance =  2.71314336700505 Angstroms
sigma value = 1


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

Energy: 0.6375392594091523
Energy: 0.6112008564178687
Energy: 0.5591856065608696
Energy: 0.6112008564147428
Energy: 0.5809259870054526
Energy: 0.6106553320822298
Energy: 0.5778762061003028
Energy: 0.610655332086606
Energy: 0.5535925706232885
Energy: 0.6037087945518232
Energy: 0.5771210942353655
Energy: 0.6037087945536845
Energy: 0.5714088768037003
Energy: 0.6181627467708009
Energy: 0.5706521144530938
Energy: 0.6181627467695505
Energy: 0.5736517907052465
Energy: 0.6120551528121011
Energy: 0.5789765743155798
Energy: 0.6120551528171024
Energy: 0.5527526533151137
Energy: 0.6029352227999546
Energy: 0.5569154901097629
Energy: 0.6029352228080818
Energy: 0.5832982793414258
Energy: 0.6048271923361231
Energy: 0.5536501522748407
Energy: 0.6048271923361231
Energy: 0.5194478062662168
Energy: 0.6118356968758858
Energy: 0.5546678849717717
Energy: 0.6118356968858888
Energy: 0.571271702089437
Energy: 0.5830522896115736
Energy: 0.5730139404872278
Energy: 0.5830522896115736
Energy: 0.5548894671632345
Energy: 0.6033424308383402
Energy: 0.514931655730433
Energy: 0.6033424308377151
Energy: 0.5763885166693742
Energy: 0.6074384011725991
Energy: 0.5714457767633576
Energy: 0.6074384011769753
Energy: 0.5707955889811515
Energy: 0.611805662824538
Energy: 0.5612215389322966
Energy: 0.6118056628295251
Energy: 0.5769090772493735
Energy: 0.6033501276454012
Energy: 0.5833404000382577
Energy: 0.6033501276535286
Energy: 0.5814081569051196
Energy: 0.609146223023883
Energy: 0.5670598172263279
Energy: 0.6091462230276341
Energy: 0.5743404962310082
Energy: 0.6122176443105666
Energy: 0.5769431614703979
Energy: 0.612217644315568
Energy: 0.5779853681970553
Energy: 0.6125844990091842
Energy: 0.5770292914810677
Energy: 0.6125844990116849
Energy: 0.5775347116044799
Energy: 0.6035934752395496
Energy: 0.5435129249527673
Energy: 0.6035934752364238
Energy: 0.5779380543804926
Energy: 0.6035696421528778
Energy: 0.5810989752008225
Energy: 0.6035696421541282
Energy: 0.5254389887817482
Energy: 0.611576196219208
Energy: 0.5611450112904766
Energy: 0.611576196226085
Energy: 0.5782497700334683
Energy: 0.5790529448750992
Energy: 0.572852542960563
Energy: 0.5790529448807257
Energy: 0.5555757516085018
Energy: 0.6035057637133336
Energy: 0.5138772162022609
Energy: 0.6035057637164596
Energy: 0.570765203223733
Energy: 0.6131617633767736
Energy: 0.5736107905021353
Energy: 0.6131617633880269
Energy: 0.573553731402067
Energy: 0.6121284159953361
Energy: 0.5459576197741661
Energy: 0.6121284160053249
Energy: 0.5662391435244742
Energy: 0.6045408664243433
Energy: 0.5529861976281808
Energy: 0.6045408664255938
Energy: 0.5533574398530733
Energy: 0.6020403408056029
Energy: 0.5831206820321334
Energy: 0.6020403408099791
Energy: 0.5755969057956283
Energy: 0.6118723596440759
Energy: 0.5458104840659013
Energy: 0.61187235964095
Energy: 0.5743000025105852
Energy: 0.60784357773252
Energy: 0.5710563158916363
Energy: 0.6078435777300194
Energy: 0.5439718116245595
Energy: 0.6032751021824528
Energy: 0.5779895048910721
Energy: 0.6032751021830781
Energy: 0.5801560693322576
Energy: 0.6112384398748507
Energy: 0.5752068195996908
Energy: 0.611238439871725
Energy: 0.5872114838707984
Energy: 0.6113931145142558
Energy: 0.5720365501810326
Energy: 0.6113931145136305
Energy: 0.5830855657557241
Energy: 0.6076887521766985
Energy: 0.5769894429729369
Energy: 0.607688752178574
Energy: 0.5679842057014766
Energy: 0.603921353319191
Energy: 0.5812461982188496
Energy: 0.6039213533216916
Energy: 0.573369928552538
Energy: 0.6176869425231963
Energy: 0.5712673089540551
Energy: 0.6176869425194452

minimum gb energy = 0.5138772162022609 eV
minimum distance =  2.51857599917528 Angstroms
sigma value = 1


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

Energy: 0.6861438600139717
Energy: 0.6562496813435346
Energy: 0.6105712112371019
Energy: 0.6562496813463857
Energy: 0.6045369849129887
Energy: 0.6442322520129596
Energy: 0.6079194300634636
Energy: 0.6442322520243646
Energy: 0.5759823221093571
Energy: 0.6564764275247661
Energy: 0.6104832093659666
Energy: 0.6564764275133773
Energy: 0.5958781327363941
Energy: 0.6281558982901237
Energy: 0.5831834092023709
Energy: 0.628155898296539
Energy: 0.5959486092680348
Energy: 0.6457564492091694
Energy: 0.5925674798339545
Energy: 0.6457564492077439
Energy: 0.6180643223034549
Energy: 0.6459874291715915
Energy: 0.6024030691654256
Energy: 0.6459874291601865
Energy: 0.6034795724043213
Energy: 0.6291194716665072
Energy: 0.5931039613294355
Energy: 0.6291194716636721
Energy: 0.5418092272841647
Energy: 0.6570740608124431
Energy: 0.5810548670770875
Energy: 0.657074060820284
Energy: 0.5965956641651152
Energy: 0.6191510122674573
Energy: 0.6074614268153299
Energy: 0.6191510122525044
Energy: 0.5922525852788202
Energy: 0.6569456670830467
Energy: 0.5636476402209712
Energy: 0.6569456670937388
Energy: 0.60428651753281
Energy: 0.647210150680578
Energy: 0.6078576742531409
Energy: 0.6472101506748754
Energy: 0.5693718507550938
Energy: 0.6506906194320125
Energy: 0.6091592777072825
Energy: 0.6506906194291612
Energy: 0.619484847936538
Energy: 0.6453920489060323
Energy: 0.6000470408754032
Energy: 0.6453920489124476
Energy: 0.6194191641758947
Energy: 0.6451081207583482
Energy: 0.5795455356042266
Energy: 0.6451081207547842
Energy: 0.5693774167106015
Energy: 0.6506583724227951
Energy: 0.6105637808318992
Energy: 0.6506583724263593
Energy: 0.6043751065068648
Energy: 0.6604189202841915
Energy: 0.60808434409614
Energy: 0.6604189202905905
Energy: 0.5922013070328057
Energy: 0.6568809069873989
Energy: 0.5666887494489382
Energy: 0.656880906979558
Energy: 0.5965770488604432
Energy: 0.6189186078183678
Energy: 0.6074328158291398
Energy: 0.6189186078212191
Energy: 0.5418473952861629
Energy: 0.6568109093582168
Energy: 0.5678931003328688
Energy: 0.6568109093518016
Energy: 0.6034534423697384
Energy: 0.6294286430647058
Energy: 0.5808124445214784
Energy: 0.629428643044747
Energy: 0.6179389311856845
Energy: 0.6459841741890262
Energy: 0.5682668802546877
Energy: 0.6459841741847493
Energy: 0.5961567427174245
Energy: 0.6458476498264556
Energy: 0.5878909988071976
Energy: 0.6458476498164762
Energy: 0.5959893363353576
Energy: 0.6285037391147558
Energy: 0.5795430223758912
Energy: 0.6285037391218838
Energy: 0.5760063455218477
Energy: 0.6567054606044425
Energy: 0.6074519444056371
Energy: 0.6567054606030168
Energy: 0.6045183149663329
Energy: 0.6441453779273829
Energy: 0.6079293554223804
Energy: 0.6441453779152813
Energy: 0.68614386001611
Energy: 0.6562496813428218
Energy: 0.6057111410454675
Energy: 0.6562496813442474
Energy: 0.6045369849072862
Energy: 0.6442322520193748
Energy: 0.6079194300641765
Energy: 0.6442322520265031
Energy: 0.5759823221086443
Energy: 0.6564764275261917
Energy: 0.609253348641456
Energy: 0.6564764275162125
Energy: 0.5958781327342556
Energy: 0.6281558982972518
Energy: 0.5808538206017301
Energy: 0.6281558983029544

minimum gb energy = 0.5418092272841647 eV
minimum distance =  2.49752767931151 Angstroms
sigma value = 25


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

Energy: 0.6514006365742888
Energy: 0.6915538708521514
Energy: 0.6491043185417885
Energy: 0.6915538708538086
Energy: 0.6135513643730903
Energy: 0.6703693110421041
Energy: 0.6375891390150178
Energy: 0.6703693110429326
Energy: 0.6121983470925836
Energy: 0.710063779764492
Energy: 0.6373358570615288
Energy: 0.7100637797636634
Energy: 0.6329773306781254
Energy: 0.6802007900524172
Energy: 0.6120383773231493
Energy: 0.6802007900540744
Energy: 0.6130064719027988
Energy: 0.6915619115741111
Energy: 0.6221965127668363
Energy: 0.6915619115699678
Energy: 0.663713808996989
Energy: 0.7099118826165829
Energy: 0.6145709792296239
Energy: 0.709911882619888
Energy: 0.6392733313752548
Energy: 0.6388071955180882
Energy: 0.6289716606887561
Energy: 0.6388071955222314
Energy: 0.6733090706214386
Energy: 0.6918833818282315
Energy: 0.5825164810774095
Energy: 0.6918833818282315
Energy: 0.6277611662168534
Energy: 0.6726186114318827
Energy: 0.6393268694863564
Energy: 0.6726186114327113
Energy: 0.6375227117691845
Energy: 0.7100640821950818
Energy: 0.6060180276510228
Energy: 0.7100640821950818
Energy: 0.608211047764477
Energy: 0.6912941028251549
Energy: 0.6368946133515125
Energy: 0.6912941028218403
Energy: 0.6123679479885582
Energy: 0.6914808198098634
Energy: 0.6366274590425138
Energy: 0.6914808198065583
Energy: 0.6373538396172196
Energy: 0.6809760888281114
Energy: 0.6060132263869101
Energy: 0.6809760888256257
Energy: 0.6281349298260099
Energy: 0.6377825517942767
Energy: 0.6379794023978228
Energy: 0.6377825517975911
Energy: 0.603998708777232
Energy: 0.691978367774273
Energy: 0.5812547158077711
Energy: 0.6919783677775782
Energy: 0.6369202689433462
Energy: 0.6393824362346764
Energy: 0.6128332302400596
Energy: 0.6393824362321905
Energy: 0.571815136755139
Energy: 0.7100410908416608
Energy: 0.5715125557214902
Energy: 0.7100410908441465
Energy: 0.6120342234281395
Energy: 0.6924710979002661
Energy: 0.633621075038498
Energy: 0.6924710979002661
Energy: 0.6057403323496692
Energy: 0.6803968413708575
Energy: 0.6131957084853484
Energy: 0.6803968413683718
Energy: 0.6149655080648541
Energy: 0.7100383282101945
Energy: 0.6376489228727503
Energy: 0.710038328209366
Energy: 0.6434671707999109
Energy: 0.6702844579098324
Energy: 0.6395922468561981
Energy: 0.6702844579098324
Energy: 0.6512490512227631
Energy: 0.6918045307645668
Energy: 0.65375331806309
Energy: 0.6918045307662241
Energy: 0.6395179290344318
Energy: 0.6761576564250111
Energy: 0.6371835448769492
Energy: 0.6761576564225347
Energy: 0.6061186162980483
Energy: 0.7101126631695617
Energy: 0.6375845512165143
Energy: 0.7101126631687331
Energy: 0.6369389568984725
Energy: 0.6813442760384354
Energy: 0.6117338209665113
Energy: 0.6813442760359496

minimum gb energy = 0.5715125557214902 eV
minimum distance =  2.50215622946322 Angstroms
sigma value = 9


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

Energy: 0.6965711618341442
Energy: 0.6961608647122596
Energy: 0.661666773400487
Energy: 0.6961608647122596
Energy: 0.6615461507018486
Energy: 0.7274777033428262
Energy: 0.6786250230516215
Energy: 0.7274777033359179
Energy: 0.6109912334085199
Energy: 0.6956681396200464
Energy: 0.6830031673116154
Energy: 0.6956681396131381
Energy: 0.6862152534449762
Energy: 0.7424779654705688
Energy: 0.6229671006529571
Energy: 0.7424779654725457
Energy: 0.719442716647123
Energy: 0.726937434386184
Energy: 0.6709456208538469
Energy: 0.7269374344000116
Energy: 0.6028471706065114
Energy: 0.6889175341678996
Energy: 0.6229166781458073
Energy: 0.688917534166911
Energy: 0.6853047854784932
Energy: 0.6230197522712189
Energy: 0.6237959296345837
Energy: 0.6230197522692419
Energy: 0.6614130491419655
Energy: 0.6892171312147126
Energy: 0.6182634585917288
Energy: 0.6892171312226206
Energy: 0.6849778757447602
Energy: 0.7271537321881211
Energy: 0.6823399753724644
Energy: 0.7271537321920751
Energy: 0.6907498091706797
Energy: 0.6962240222310708
Energy: 0.6228666235937579
Energy: 0.6962240222290937
Energy: 0.643685479526803
Energy: 0.7294134525299607
Energy: 0.6828151685023027
Energy: 0.7294134525230412
Energy: 0.6862531212908773
Energy: 0.7070177943449721
Energy: 0.6229907873117031
Energy: 0.7070177943469491
Energy: 0.602880575047838
Energy: 0.6959071847816819
Energy: 0.6462996264171069
Energy: 0.6959071847806934
Energy: 0.654416827086859
Energy: 0.6885732715851615
Energy: 0.6788740451701873
Energy: 0.6885732715950352
Energy: 0.6028827868828314
Energy: 0.6959133211368226
Energy: 0.6322710385003529
Energy: 0.6959133211368226
Energy: 0.686288277605534
Energy: 0.7070773480737238
Energy: 0.6230146122189123
Energy: 0.7070773480786663
Energy: 0.6436898051967055
Energy: 0.7293622086183024
Energy: 0.6486327157206522
Energy: 0.729362208621268
Energy: 0.6907921639842429
Energy: 0.6962119120496714
Energy: 0.622882808369777
Energy: 0.6962119120486829
Energy: 0.6849138802913085
Energy: 0.7272026926526424
Energy: 0.649013740051962
Energy: 0.727202692660539
Energy: 0.6614010873553317
Energy: 0.6891931272227997
Energy: 0.6182410590496304
Energy: 0.6891931272227997
Energy: 0.6852314713153261
Energy: 0.6230389598617838
Energy: 0.6236359030478379
Energy: 0.6230389598627724

minimum gb energy = 0.6028471706065114 eV
minimum distance =  2.59408106685039 Angstroms
sigma value = 25


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

Energy: 0.6528648397750197
Energy: 0.7864296576276818
Energy: 0.7448289559512284
Energy: 0.7864296576276818
Energy: 0.6429195665399547
Energy: 0.6435677941778497
Energy: 0.6355993398759391
Energy: 0.6435677941741823
Energy: 0.6359376396951621
Energy: 0.6944554218559458
Energy: 0.6355581851925787
Energy: 0.6944554218510559
Energy: 0.6533569127506655
Energy: 0.6667204858664505
Energy: 0.7159898676308978
Energy: 0.6667204858652281
Energy: 0.7135202205573276
Energy: 0.6433770743818625
Energy: 0.6716975065593727
Energy: 0.643377074380654
Energy: 0.6383944757935973
Energy: 0.7988017023573668
Energy: 0.6380838515612753
Energy: 0.7988017023585892
Energy: 0.6359297865411451
Energy: 0.7025794940598846
Energy: 0.6356716327822419
Energy: 0.7025794940672193
Energy: 0.7144452411043223
Energy: 0.7851827116529257
Energy: 0.6552981335244066
Energy: 0.7851827116517033
Energy: 0.6354671197415623
Energy: 0.731461746860449
Energy: 0.6445181160433426
Energy: 0.7314617468580039
Energy: 0.7410421794533298
Energy: 0.745865774041906
Energy: 0.6384240778360567
Energy: 0.7458657740394751
Energy: 0.6747456025695187
Energy: 0.7868748699601277
Energy: 0.7836972320926507
Energy: 0.7868748699613501
Energy: 0.6360752934698967
Energy: 0.6601247414234653
Energy: 0.7384144989913639
Energy: 0.6601247414234653
Energy: 0.7079879265272753
Energy: 0.6595083709507035
Energy: 0.6356595715575485
Energy: 0.6595083709531484
Energy: 0.6355427496632098
Energy: 0.6436608798325217
Energy: 0.6519304921320244
Energy: 0.6436608798251869
Energy: 0.6598118222252756
Energy: 0.7868707678494498
Energy: 0.7124213709035888
Energy: 0.7868707678482272
Energy: 0.6432867073215516
Energy: 0.679909076822108
Energy: 0.6383427831442366
Energy: 0.6799090767891155
Energy: 0.6357708346710521
Energy: 0.6901069422674606
Energy: 0.7397302730308088
Energy: 0.6901069422638071

minimum gb energy = 0.6354671197415623 eV
minimum distance =  2.57404428460687 Angstroms
sigma value = 17


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

Energy: 0.7297314101797484
Energy: 0.728477592321329
Energy: 0.8028997358330384
Energy: 0.7284775923178672
Energy: 0.7285359861612297
Energy: 0.6966399187037571
Energy: 0.6549123282582086
Energy: 0.69663991870168
Energy: 0.7232230044847681
Energy: 0.7268597383040393
Energy: 0.6547424605455575
Energy: 0.7268597383047318
Energy: 0.6565674805187746
Energy: 0.6622718944155785
Energy: 0.7011454616445757
Energy: 0.6622718944211172
Energy: 0.7439689852149215
Energy: 0.6999670656708786
Energy: 0.6812353194204358
Energy: 0.6999670656660323
Energy: 0.6626806006567458
Energy: 0.6776936811701788
Energy: 0.724116308553713
Energy: 0.6776936811722558
Energy: 0.6581545530107497
Energy: 0.7281514528904203
Energy: 0.6551636619234968
Energy: 0.7281514528869585
Energy: 0.7185313701257369
Energy: 0.6623046352971904
Energy: 0.6680549299373512
Energy: 0.6623046352951134
Energy: 0.6647246434764899
Energy: 0.7551077119245322
Energy: 0.7496752803736679
Energy: 0.7551077119224552
Energy: 0.7911200544167992
Energy: 0.7053191280029669
Energy: 0.6551938127726995
Energy: 0.7053191279898281
Energy: 0.6580419478307787
Energy: 0.6656526956932202
Energy: 0.7259424062526219
Energy: 0.6656526956945892
Energy: 0.6613563651070586
Energy: 0.7250604411523893
Energy: 0.661140525057116
Energy: 0.7250604411593128
Energy: 0.7381382868598538
Energy: 0.6638628509291851
Energy: 0.6606071368555692
Energy: 0.6638628509215692
Energy: 0.6611576416097795
Energy: 0.7619996016094837
Energy: 0.731412387706094
Energy: 0.7619996016094837
Energy: 0.7100195341001242
Energy: 0.7288094289034885
Energy: 0.6641759516629517
Energy: 0.7288094289000266
Energy: 0.7294659360890265
Energy: 0.6628755481834769
Energy: 0.7187715927321594
Energy: 0.6628755481855539
Energy: 0.655413760261451
Energy: 0.7154258860068842
Energy: 0.796394316653882
Energy: 0.7154258860110383
Energy: 0.7265928388734877
Energy: 0.7234894869070294
Energy: 0.6626128294514806
Energy: 0.7234894869035677
Energy: 0.6550611799349751
Energy: 0.7319751045236158
Energy: 0.7009161751764323
Energy: 0.731975104522231
Energy: 0.6550779734698325
Energy: 0.6633096027905633
Energy: 0.6565361228071064
Energy: 0.6633096027905633
Energy: 0.6874627451524172
Energy: 0.7263843878687052
Energy: 0.7231215457357355
Energy: 0.7263843878659357
Energy: 0.6551809884762096
Energy: 0.7505092593391428
Energy: 0.7894876184471064
Energy: 0.7505092593398353
Energy: 0.740527395936806
Energy: 0.7289418245172274
Energy: 0.6551344769210885
Energy: 0.7289418245151662
Energy: 0.6607948258304053
Energy: 0.697527923886598
Energy: 0.7239856432094081
Energy: 0.6975279238831362
Energy: 0.6606150861647542
Energy: 0.7264432703794044
Energy: 0.7231513639131153
Energy: 0.7264432703759427
Energy: 0.7440649514291309
Energy: 0.7258755661782003
Energy: 0.6558605634098205
Energy: 0.7258755661788927
Energy: 0.6809246392364942
Energy: 0.7491993465519776
Energy: 0.8093440568538477
Energy: 0.7491993465519776
Energy: 0.7219263398555211
Energy: 0.6774022916697003
Energy: 0.7239231937344602
Energy: 0.6774022916703928
Energy: 0.7749720704115723
Energy: 0.6625563028142136
Energy: 0.6582727973971001
Energy: 0.6625563028155984
Energy: 0.6608956063182532
Energy: 0.7549408409433074
Energy: 0.7262452307537213
Energy: 0.7549408409460768

minimum gb energy = 0.6547424605455575 eV
minimum distance =  2.47871442986544 Angstroms
sigma value = 53


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

Energy: 0.6339270805576208
Energy: 0.6332151210927495
Energy: 0.7484359770966481
Energy: 0.6332151210927495
Energy: 0.7484751173910572
Energy: 0.6809673553488604
Energy: 0.6959242254151663
Energy: 0.6809673553456727
Energy: 0.6348440485624925
Energy: 0.6336903212776006
Energy: 0.6863376882087636
Energy: 0.6336903212776006
Energy: 0.6348442469001214
Energy: 0.633772919655202
Energy: 0.6567251971610182
Energy: 0.6337729196456385
Energy: 0.7485095899072514
Energy: 0.6809399988983998
Energy: 0.6959244083466657
Energy: 0.6809399989015875
Energy: 0.6339270805576208
Energy: 0.6332151210927495
Energy: 0.7839710863251669
Energy: 0.6332151210927495
Energy: 0.7484751173862757
Energy: 0.6809673553488604
Energy: 0.735836915084904
Energy: 0.6809673553472666
Energy: 0.6348440485640863
Energy: 0.6336903212776006
Energy: 0.6863376882103576
Energy: 0.6336903212776006
Energy: 0.6348442468969427
Energy: 0.6337729196583898
Energy: 0.6962009931909785
Energy: 0.6337729196504203
Energy: 0.7485095899072514
Energy: 0.6809399988999937
Energy: 0.7361223355615538
Energy: 0.6809399989015875
Energy: 0.6339270805608086
Energy: 0.6332151210911555
Energy: 0.8180235136418603
Energy: 0.6332151210927495
Energy: 0.7484751173942451
Energy: 0.6809673553520482
Energy: 0.7358369150817161
Energy: 0.6809673553456727
Energy: 0.6348440485656803
Energy: 0.6336903212807885
Energy: 0.7363997220712493
Energy: 0.6336903212760159

minimum gb energy = 0.6332151210911555 eV
minimum distance =  2.54987872389297 Angstroms
sigma value = 9


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

Energy: 0.6915982296011418
Energy: 0.7873264453586082
Energy: 0.8583823324122152
Energy: 0.787326445359198
Energy: 0.7618298865701574
Energy: 0.7142633262153286
Energy: 0.6880487625362208
Energy: 0.7142633262147389
Energy: 0.6762803439080342
Energy: 0.6842788688627068
Energy: 0.6864287894974213
Energy: 0.6842788688715559
Energy: 0.738488136334893
Energy: 0.7906918693105027
Energy: 0.6874473844682378
Energy: 0.7906918693063867
Energy: 0.7596978934785313
Energy: 0.7186156959247619
Energy: 0.6833507481839959
Energy: 0.718615695923582
Energy: 0.6847153941355347
Energy: 0.6838664357252616
Energy: 0.7425970006958182
Energy: 0.6838664357252616
Energy: 0.8595636526368429
Energy: 0.7160536648033591
Energy: 0.6857637649368982
Energy: 0.7160536648021792
Energy: 0.6800389380906074
Energy: 0.7803198763082857
Energy: 0.747672751399769
Energy: 0.7803198763973246
Energy: 0.6771607288343797
Energy: 0.7957022179442859
Energy: 0.6879290068627931
Energy: 0.7957022179519548
Energy: 0.6768884504399957
Energy: 0.7130466934422204
Energy: 0.6837758898383018
Energy: 0.7130466934410405
Energy: 0.6804339550422066
Energy: 0.7869193825262377
Energy: 0.8418761716093383
Energy: 0.7869193824289398
Energy: 0.7573278373241794
Energy: 0.7713135529499636
Energy: 0.6795959115483322
Energy: 0.7713135529517334
Energy: 0.6772670537438831
Energy: 0.7355093898755992
Energy: 0.8006380415660438
Energy: 0.7355093898921037
Energy: 0.741310928381537
Energy: 0.7478522813614288
Energy: 0.6939781009935574
Energy: 0.7478522813514
Energy: 0.6816369366438674
Energy: 0.7644140667015146
Energy: 0.7465487011594004
Energy: 0.7644140667044642
Energy: 0.6791739909213711
Energy: 0.7941437932354848
Energy: 0.7402920118855315
Energy: 0.7941437932384343
Energy: 0.7178025487432876
Energy: 0.7640448795688709
Energy: 0.681656218155216
Energy: 0.7640448795735769
Energy: 0.6821759700439107
Energy: 0.7162311535752691
Energy: 0.7589733609156477
Energy: 0.7162311535723196
Energy: 0.7618484406015982
Energy: 0.7361255586979203
Energy: 0.6855394093980494
Energy: 0.7361255587032162
Energy: 0.679573816748057
Energy: 0.7201890428921796
Energy: 0.7257108734900308
Energy: 0.7201890428921796
Energy: 0.7444604534284819
Energy: 0.7861317107028274
Energy: 0.7397456432987966
Energy: 0.786131710705777
Energy: 0.728102358334969
Energy: 0.7520578067923561
Energy: 0.6767310499055685
Energy: 0.7520578067811475
Energy: 0.6879714013504687
Energy: 0.7678773619404593
Energy: 0.6775834875063608
Energy: 0.76787736193397
Energy: 0.8555017559309059
Energy: 0.7244071848172132
Energy: 0.6794187101246205
Energy: 0.724407184806018
Energy: 0.6861936826767026
Energy: 0.7798633518982021
Energy: 0.815910735804447
Energy: 0.7798633519017416
Energy: 0.7127743219602094
Energy: 0.6841384218454457
Energy: 0.676405575842345
Energy: 0.6841384218495618
Energy: 0.7223838559739667
Energy: 0.7662865542197059
Energy: 0.738393994630422
Energy: 0.7662865542197059
Energy: 0.6959842713372023
Energy: 0.7890025965567139
Energy: 0.7385776446735224
Energy: 0.7890025965590736
Energy: 0.7141297002483284
Energy: 0.6840416832451418
Energy: 0.6760770810069492
Energy: 0.684041683243962
Energy: 0.6876892543816624
Energy: 0.7789579275936462
Energy: 0.8149335003162335
Energy: 0.7789579275989554
Energy: 0.8221863809513139
Energy: 0.7318515477344052
Energy: 0.6791816051898091
Energy: 0.7318515477279158
Energy: 0.6884479524375385
Energy: 0.7164614201908202
Energy: 0.6763772757092926
Energy: 0.7164614201961296
Energy: 0.6872075266516079
Energy: 0.7518286861451642
Energy: 0.6761364785749467
Energy: 0.751828686146344
Energy: 0.744849184801499
Energy: 0.7879963354681851
Energy: 0.7384543051916961
Energy: 0.7879963354646454
Energy: 0.6831046054539271
Energy: 0.7817685581444668
Energy: 0.8594660149699743
Energy: 0.7817685581485962

minimum gb energy = 0.6760770810069492 eV
minimum distance =  2.51407501509935 Angstroms
sigma value = 73


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

Energy: 0.6903236762282381
Energy: 0.6886193749630009
Energy: 0.8546976713356189
Energy: 0.6886193749630009
Energy: 0.6962152155142369
Energy: 0.7450807344323238
Energy: 0.6914275171576559
Energy: 0.7450807344313878
Energy: 0.6852666198682859
Energy: 0.6864260705357704
Energy: 0.683565912945235
Energy: 0.6864260705385785
Energy: 0.6766715347188934
Energy: 0.7449108604914829
Energy: 0.6907485983336398
Energy: 0.744910860488675
Energy: 0.6761663830813567
Energy: 0.7352132546447671
Energy: 0.6841066972584675
Energy: 0.735213254647575
Energy: 0.6855843313578487
Energy: 0.6858371685367789
Energy: 0.8201240952645131
Energy: 0.6858371685386508
Energy: 0.8578147309171889
Energy: 0.8225398349992664
Energy: 0.687186266467491
Energy: 0.8225398349974051
Energy: 0.6761813665348683
Energy: 0.688643823967287
Energy: 0.8323977798114156
Energy: 0.6886438239719668
Energy: 0.824380391541142
Energy: 0.6894651606122966
Energy: 0.6915330091822484
Energy: 0.6894651606150938
Energy: 0.6854128467969415
Energy: 0.7282841431557572
Energy: 0.6854989067681085
Energy: 0.7282841431604371
Energy: 0.6791262903293773
Energy: 0.6893618361178587
Energy: 0.8249891445227467
Energy: 0.6893618361169332
Energy: 0.7659934964054574
Energy: 0.7429172753202297
Energy: 0.6768833920455272
Energy: 0.7429172753202297
Energy: 0.6877880847025781
Energy: 0.7319540080123078
Energy: 0.77295855675317
Energy: 0.7319540080132437
Energy: 0.8498510044625234
Energy: 0.7321382058851709
Energy: 0.6855264351079319
Energy: 0.7321382058870427
Energy: 0.6836768131416159
Energy: 0.708580566336248
Energy: 0.7658565263591348
Energy: 0.7085805663381198
Energy: 0.8251654416013181
Energy: 0.6887434177692536
Energy: 0.6763358545718335
Energy: 0.6887434177692536
Energy: 0.68735821917887
Energy: 0.687142760692639
Energy: 0.6845470161342593
Energy: 0.687142760692639
Energy: 0.6916512618773974
Energy: 0.690111463292485
Energy: 0.684876642477265
Energy: 0.6901114632952929
Energy: 0.6852898477809264
Energy: 0.6884910711519652
Energy: 0.6755051179816773
Energy: 0.6884910711491574
Energy: 0.69104131436925
Energy: 0.708134411475537
Energy: 0.857799436736747
Energy: 0.7081344114727292
Energy: 0.8619159342460891
Energy: 0.685847976410802
Energy: 0.6849072722746989
Energy: 0.6858479764117379
Energy: 0.6905566708379826
Energy: 0.7360132998042161
Energy: 0.7740236913922363
Energy: 0.7360132998032801

minimum gb energy = 0.6755051179816773 eV
minimum distance =  2.50889830619586 Angstroms
sigma value = 7


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

Energy: 0.7047581408809706
Energy: 0.7033760909089762
Energy: 0.8543074486407793
Energy: 0.7033760909076526
Energy: 0.8376154272216173
Energy: 0.7288807260478118
Energy: 0.6897828280815208
Energy: 0.7288807260306194
Energy: 0.6826704369364162
Energy: 0.7033906064021731
Energy: 0.6990516996824944
Energy: 0.7033906063948929
Energy: 0.6946804847684511
Energy: 0.7433344507001219
Energy: 0.6897889753322483
Energy: 0.7433344507040929
Energy: 0.6832217248684785
Energy: 0.7298411967956296
Energy: 0.6935427558857019
Energy: 0.7298411967949678
Energy: 0.682296015093563
Energy: 0.7043573578026995
Energy: 0.8080981645574739
Energy: 0.7043573578066704
Energy: 0.7685137916643417
Energy: 0.7578131925745216
Energy: 0.695944288538714
Energy: 0.757813192545416
Energy: 0.6823251529113239
Energy: 0.7036100554299265
Energy: 0.8270711808524347
Energy: 0.703610055427941
Energy: 0.7747498721266453
Energy: 0.7351937157458615
Energy: 0.6893476158247793
Energy: 0.735193715751156
Energy: 0.683007846415058
Energy: 0.7434937884331284
Energy: 0.7563929978436321
Energy: 0.7434937884430557
Energy: 0.6981543701400705
Energy: 0.796437014936803
Energy: 0.6965878388312791
Energy: 0.7964370149513631
Energy: 0.7053321281053244
Energy: 0.729924564603957
Energy: 0.6959983592374523
Energy: 0.7299245646277679
Energy: 0.7060896867197997
Energy: 0.7048031052924973
Energy: 0.6969178824697487
Energy: 0.7048031052825849
Energy: 0.6985101301604455
Energy: 0.699139377593223
Energy: 0.6956840060857807
Energy: 0.6991393775938848
Energy: 0.682748279875233
Energy: 0.7984718626411481
Energy: 0.770522726537883
Energy: 0.7984718626371771
Energy: 0.8694769462635848
Energy: 0.6987926771583866
Energy: 0.6890775499461532
Energy: 0.698792677161034
Energy: 0.6827512957323397
Energy: 0.7303005295320175
Energy: 0.7205185346131039
Energy: 0.7303005295201046
Energy: 0.693851344451193
Energy: 0.7866735961504472
Energy: 0.6960668153146229
Energy: 0.7866735961517709
Energy: 0.6829163216633476
Energy: 0.704410200657122
Energy: 0.6966496256684829
Energy: 0.7044102006392526
Energy: 0.6828311428274292
Energy: 0.7300342321698766
Energy: 0.69601820565448
Energy: 0.730034232164582
Energy: 0.698163694143932
Energy: 0.7968895555728464
Energy: 0.6894004654361339
Energy: 0.7968895555801264
Energy: 0.6826911167764007
Energy: 0.7034296772347207
Energy: 0.7594180189021112
Energy: 0.7034296772248083
Energy: 0.8203928691911522
Energy: 0.7351381974717593
Energy: 0.6953822548021905
Energy: 0.7351381974704354
Energy: 0.7051619418353641
Energy: 0.7034608110321832
Energy: 0.8076454769322131
Energy: 0.7034608110242413
Energy: 0.7037488500583985
Energy: 0.7302270969301399
Energy: 0.6971841752824898
Energy: 0.7302270969169034
Energy: 0.6947819217190763
Energy: 0.70373280475038
Energy: 0.6991458183606543
Energy: 0.7037328047636016
Energy: 0.6830080614366033
Energy: 0.7431901108196001
Energy: 0.7580700903271897
Energy: 0.7431901108222475
Energy: 0.6951815305459877
Energy: 0.7303159325631001
Energy: 0.6896043076454514
Energy: 0.7303159325631001
Energy: 0.6822961715348017
Energy: 0.703597602938567
Energy: 0.7714601910361545
Energy: 0.7035976029140943
Energy: 0.7080114970345758
Energy: 0.6995151251170171
Energy: 0.6897947764398126
Energy: 0.6995151251256209
Energy: 0.6822907395343001
Energy: 0.7036379924766898
Energy: 0.8036371427731913
Energy: 0.7036379924727338

minimum gb energy = 0.6822907395343001 eV
minimum distance =  2.50204782039847 Angstroms
sigma value = 29


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

Energy: 0.6780246393955524
Energy: 0.6632879716557205
Energy: 0.7593122432634822
Energy: 0.6632879716570653
Energy: 0.654881024113542
Energy: 0.6665757200142456
Energy: 0.6659753272506804
Energy: 0.6665757200155903
Energy: 0.679855889573153
Energy: 0.7151806354577275
Energy: 0.739943895568041
Energy: 0.7151806354559217
Energy: 0.6678372909619245
Energy: 0.7288789034026995
Energy: 0.6658076797891392
Energy: 0.7288789034017901
Energy: 0.6785345248690177
Energy: 0.6948553845475345
Energy: 0.6801896568062047
Energy: 0.694855384545511
Energy: 0.664742827145312
Energy: 0.7115491143152965
Energy: 0.6643086286392453
Energy: 0.7115491143166413
Energy: 0.6709216564367753
Energy: 0.6945427694966135
Energy: 0.6784755774737914
Energy: 0.6945427694988676
Energy: 0.6656852761958576
Energy: 0.6550008434705645
Energy: 0.6678113037641987
Energy: 0.655000843466274
Energy: 0.7399165084103899
Energy: 0.715218921086993
Energy: 0.6608080407788542
Energy: 0.7152189210845084

minimum gb energy = 0.654881024113542 eV
minimum distance =  2.54402948090354 Angstroms
sigma value = 5


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

Energy: 0.6459942128101022
Energy: 0.6573929751354337
Energy: 0.7424464023238595
Energy: 0.6573929751329329
Energy: 0.6333174595659735
Energy: 0.6686789647689501
Energy: 0.6229549764462872
Energy: 0.6686789647676998
Energy: 0.6266655307136825
Energy: 0.6506908709565276
Energy: 0.7441914914091697
Energy: 0.6506908709552771
Energy: 0.6207129115687526
Energy: 0.680247245786426
Energy: 0.6311296725838845
Energy: 0.6802472457858008
Energy: 0.6354966251565152
Energy: 0.6835688606867526
Energy: 0.7334401225620625
Energy: 0.6835688606842518
Energy: 0.6503476147614544
Energy: 0.6592481586513138
Energy: 0.6223442119622878
Energy: 0.6592481586525499
Energy: 0.6265665610581116
Energy: 0.6840571250056726
Energy: 0.6277302850822788
Energy: 0.6840571250069231
Energy: 0.6248763344934495
Energy: 0.6601827564681529
Energy: 0.6241335351140873
Energy: 0.6601827564662774
Energy: 0.6356181379184332
Energy: 0.6840437304558542
Energy: 0.6370646749648583
Energy: 0.6840437304489773
Energy: 0.633572410897907
Energy: 0.6843570057753597
Energy: 0.6212042900890625
Energy: 0.6843570057709836
Energy: 0.6362256754070986
Energy: 0.6596905370537249
Energy: 0.6248115616552484
Energy: 0.6596905370562256
Energy: 0.6264491165742075
Energy: 0.6924669967569567
Energy: 0.6734459618993947
Energy: 0.692466996758832
Energy: 0.6504294780077663
Energy: 0.6579616861412042
Energy: 0.656889289876138
Energy: 0.6579616861393286
Energy: 0.6357924945072162
Energy: 0.6583048159426901
Energy: 0.647681534546659
Energy: 0.6583048159345771
Energy: 0.6460887109271772
Energy: 0.6811958897681456
Energy: 0.6249158901472202
Energy: 0.6811958897725218
Energy: 0.6314896399495866
Energy: 0.6505584464154152
Energy: 0.6368709282448547
Energy: 0.6505584464160402
Energy: 0.7285997740200075
Energy: 0.6939582562574923
Energy: 0.6277006377540323
Energy: 0.6939582562537413
Energy: 0.6358476240687447
Energy: 0.6578469062031881
Energy: 0.6891264199374786
Energy: 0.6578469061981868
Energy: 0.6274515721397638
Energy: 0.685247682532383
Energy: 0.6230552947040694
Energy: 0.6852476825342443
Energy: 0.626505572927692
Energy: 0.681829729441418
Energy: 0.6479653918261471
Energy: 0.6818297294339302
Energy: 0.6201164004539643
Energy: 0.6801567708845273
Energy: 0.6320845878621677
Energy: 0.6801567708820265
Energy: 0.6364077008106621
Energy: 0.6838514874614255
Energy: 0.6381691192301858
Energy: 0.6838514874576745
Energy: 0.6226763371575689
Energy: 0.6589405781843842
Energy: 0.6200239072645765
Energy: 0.6589405781800078
Energy: 0.668181611590821
Energy: 0.6604000622642988
Energy: 0.6267903846600336
Energy: 0.660400062264924
Energy: 0.6643325257931985
Energy: 0.6514897686080559
Energy: 0.6239965582674409
Energy: 0.6514897686080559
Energy: 0.6506588280181294
Energy: 0.6586758066447307
Energy: 0.635726884209338
Energy: 0.6586758066466063
Energy: 0.6224052365812356
Energy: 0.6749141758340115
Energy: 0.6416785225287132
Energy: 0.6749141758340115
Energy: 0.6542972183861101
Energy: 0.6833676119098147
Energy: 0.6314768306448201
Energy: 0.6833676119166915
Energy: 0.624330310969651
Energy: 0.6687080515432321
Energy: 0.7337923935081574
Energy: 0.6687080515426069
Energy: 0.7083749103935849
Energy: 0.6578490937267131
Energy: 0.6359142397131599
Energy: 0.6578490937273241
Energy: 0.6220585116878388
Energy: 0.640124919990944
Energy: 0.7076768914658238
Energy: 0.6401249199940557
Energy: 0.7297538834710217
Energy: 0.6673952167469617
Energy: 0.6264108568479616
Energy: 0.6673952167538244
Energy: 0.6311056856181082
Energy: 0.6814326284710244
Energy: 0.6209329818353665
Energy: 0.6814326284722747

minimum gb energy = 0.6200239072645765 eV
minimum distance =  2.51158007024936 Angstroms
sigma value = 1


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

Energy: 0.6307127990731943
Energy: 0.6298127375726904
Energy: 0.7278080670978287
Energy: 0.6298127375813248
Energy: 0.6276851537413936
Energy: 0.6382380056626644
Energy: 0.6001746503233767
Energy: 0.6382380056635287
Energy: 0.5885013190877453
Energy: 0.6300484378096254
Energy: 0.8342913528313997
Energy: 0.6300484378104899
Energy: 0.6115643537299796
Energy: 0.6648740386298777
Energy: 0.6002076214474545
Energy: 0.6648740386298777
Energy: 0.5887676389349343
Energy: 0.6875590910306373
Energy: 0.7353982710910038
Energy: 0.687559091034095
Energy: 0.5893347310849666
Energy: 0.6323786626661942
Energy: 0.6004666086398807
Energy: 0.6323786626679132
Energy: 0.5888661427459042
Energy: 0.6870548303297875
Energy: 0.6094574057144775
Energy: 0.6870548303323808
Energy: 0.5892174750724313
Energy: 0.6323027320485829
Energy: 0.6226905242308872
Energy: 0.6323027320477184
Energy: 0.6293225971776751
Energy: 0.6274060876258238
Energy: 0.6230736446391033
Energy: 0.6274060876215019
Energy: 0.6293470878387926
Energy: 0.6274916183602661
Energy: 0.6181145721938243
Energy: 0.6274916183663072
Energy: 0.5891959244758209
Energy: 0.6323211888174382
Energy: 0.6225592707435639
Energy: 0.6323211888139805
Energy: 0.5888711558143854
Energy: 0.6870461137038318
Energy: 0.6200811212151461
Energy: 0.6870461136995097
Energy: 0.5891375318631291
Energy: 0.63243948637313
Energy: 0.6005214866856318
Energy: 0.6324394863739944
Energy: 0.5887817132969699
Energy: 0.687549472230071
Energy: 0.6378865079387546
Energy: 0.6875494722179791
Energy: 0.6116996076702784
Energy: 0.6648717934130679
Energy: 0.6004915760749856
Energy: 0.6648717934104748
Energy: 0.5885000965480448
Energy: 0.63004568355948
Energy: 0.644011904977135
Energy: 0.63004568355948
Energy: 0.6276786210234253
Energy: 0.6382864801289083
Energy: 0.6001909350914059
Energy: 0.638286480130637
Energy: 0.6307127990740586
Energy: 0.6298127375795958
Energy: 0.7325042486930398
Energy: 0.6298127375830536
Energy: 0.6276851537370716
Energy: 0.6382380056635287
Energy: 0.6001746503225124
Energy: 0.6382380056618
Energy: 0.588501319086881
Energy: 0.6300484378087611
Energy: 0.8342913528305351
Energy: 0.6300484378096254
Energy: 0.6115643537170233
Energy: 0.664874038632471
Energy: 0.6002076214465901
Energy: 0.664874038630742
Energy: 0.5887676389383921
Energy: 0.687559091028054
Energy: 0.735398271089275
Energy: 0.6875590910332305
Energy: 0.5893347310927364
Energy: 0.6323786626653298
Energy: 0.6004666086381518
Energy: 0.6323786626687775
Energy: 0.5888661427459042
Energy: 0.6870548303280588
Energy: 0.6094574057118842
Energy: 0.6870548303315164

minimum gb energy = 0.5885000965480448 eV
minimum distance =  2.52425205125109 Angstroms
sigma value = 17


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

Energy: 0.6180141650511863
Energy: 0.6170586650750207
Energy: 0.7205929067541818
Energy: 0.6170586650808978
Energy: 0.6900980554756598
Energy: 0.6085912072816451
Energy: 0.5901134229864621
Energy: 0.608591207286988
Energy: 0.5920566648713028
Energy: 0.6090381046057601
Energy: 0.750402023693537
Energy: 0.6090381046031131
Energy: 0.612895266108156
Energy: 0.5878887039367192
Energy: 0.5886645630467627
Energy: 0.5878887039217596
Energy: 0.5861435243201769
Energy: 0.6542506009032576
Energy: 0.5988930960535214
Energy: 0.6542506009043262
Energy: 0.5822019006276988
Energy: 0.6011328499003672
Energy: 0.5982495782466929
Energy: 0.6011328499158611
Energy: 0.593272318378444
Energy: 0.6428948044239997
Energy: 0.6120384199115417
Energy: 0.6428948044165198
Energy: 0.5838160400552028
Energy: 0.6364178672428533
Energy: 0.5836440378518941
Energy: 0.6364178672476618
Energy: 0.6181599451114868
Energy: 0.6337308801011599
Energy: 0.6025721177740021
Energy: 0.63373088009742
Energy: 0.6214041540835122
Energy: 0.6342736503161553
Energy: 0.5930047857249632
Energy: 0.6342736503172238
Energy: 0.5922271677911789
Energy: 0.6207537999039398
Energy: 0.5836543779288726
Energy: 0.6207537999050083
Energy: 0.5940916853655366
Energy: 0.6377684958256072
Energy: 0.5861967664967013
Energy: 0.6377684958197302
Energy: 0.5813033839987534
Energy: 0.628964771086551
Energy: 0.5890058026739808
Energy: 0.6289647710886882
Energy: 0.5869798883062861
Energy: 0.6535560260388966
Energy: 0.6287993752634041
Energy: 0.653556026033554
Energy: 0.5836643122266468
Energy: 0.5964650935275481
Energy: 0.6222108118190345
Energy: 0.5964650935270137
Energy: 0.5920211479795355
Energy: 0.6093962263427897
Energy: 0.6993081795358288
Energy: 0.6093962263497353
Energy: 0.5972796285740158
Energy: 0.5965980885370511
Energy: 0.5890606561190176
Energy: 0.5965980885418595
Energy: 0.5884636720901819
Energy: 0.6173974725260116
Energy: 0.5940584740669155
Energy: 0.6173974725089391
Energy: 0.6849195649765987
Energy: 0.639476161306402
Energy: 0.5924044979875204
Energy: 0.6394761613176219
Energy: 0.5982328953015656
Energy: 0.6087683422170818
Energy: 0.6133034968794434
Energy: 0.6087683422208218
Energy: 0.5918067060980432
Energy: 0.60270773029769
Energy: 0.5886920438147398
Energy: 0.6027077303008955
Energy: 0.588611778688188
Energy: 0.6234609765667003
Energy: 0.5913315511942031
Energy: 0.6234609765709501
Energy: 0.6038426686465164
Energy: 0.5967907929169713
Energy: 0.5984023457265514
Energy: 0.596790792920711
Energy: 0.5923577791770542
Energy: 0.6439567927318159
Energy: 0.6902279811732899
Energy: 0.6439567927205961
Energy: 0.603771650302564
Energy: 0.6177779739817018
Energy: 0.588334019342585
Energy: 0.6177779739715504
Energy: 0.5887862515440876
Energy: 0.6548273821611712
Energy: 0.5969425453421492
Energy: 0.6548273821712981
Energy: 0.6804698165208453
Energy: 0.6295267735347885
Energy: 0.5928418854502232
Energy: 0.6295267735273086
Energy: 0.6245967680071305
Energy: 0.7102993888908405
Energy: 0.5833950552771549
Energy: 0.7102993888742781
Energy: 0.6271353056392188
Energy: 0.6531533210105896
Energy: 0.5870207093222444
Energy: 0.6531533210137954
Energy: 0.5888455863017346
Energy: 0.6287418103813937
Energy: 0.6052603425701926
Energy: 0.6287418103744481
Energy: 0.5879493753070502
Energy: 0.6532297639683812
Energy: 0.5952316690833629
Energy: 0.6532297639625042
Energy: 0.5833959412568948
Energy: 0.6193384154562211
Energy: 0.5904894117526276
Energy: 0.6193384153200296
Energy: 0.592701274851043
Energy: 0.6336495669923278
Energy: 0.6961401677242046
Energy: 0.6336495669960678
Energy: 0.6056288876930297
Energy: 0.7214158341104222
Energy: 0.6000323510663956
Energy: 0.7214158341056136
Energy: 0.5850894205847135
Energy: 0.6179038967232305
Energy: 0.6088876113016498
Energy: 0.6179038967232305
Energy: 0.6110864363294728
Energy: 0.6438231240803707
Energy: 0.5921092276932689
Energy: 0.6438231240787681
Energy: 0.5981948605877735
Energy: 0.5971137871608514
Energy: 0.5818879082955825
Energy: 0.5971137906267676
Energy: 0.5957182106958872
Energy: 0.6549166201323168
Energy: 0.589292823821485
Energy: 0.654916620137101

minimum gb energy = 0.5813033839987534 eV
minimum distance =  2.51243081979758 Angstroms
sigma value = 89


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

Energy: 0.5471244613089418
Energy: 0.5464454338170718
Energy: 0.8134198598144289
Energy: 0.5464454338198597
Energy: 0.5486032875206095
Energy: 0.5666060335019713
Energy: 0.5531568561793749
Energy: 0.5666060335033691
Energy: 0.5518957975296117
Energy: 0.6449838565131494
Energy: 0.7944250254388697
Energy: 0.6449838565159451
Energy: 0.5446708736260457
Energy: 0.566525786073492
Energy: 0.5531378888989887
Energy: 0.566525786073492
Energy: 0.5473440906248292
Energy: 0.598905333803349
Energy: 0.5486088975891759
Energy: 0.598905333803349
Energy: 0.5484850207224802
Energy: 0.5473671248252435
Energy: 0.5496907772961851
Energy: 0.5473671248238454
Energy: 0.5522142351875305
Energy: 0.644901660863202
Energy: 0.5480198412952063
Energy: 0.644901660863202
Energy: 0.5423432756354629
Energy: 0.6447475738697639
Energy: 0.5530409539743699
Energy: 0.64474757386557
Energy: 0.5473930863567761
Energy: 0.5994356254192347
Energy: 0.5411476592895474
Energy: 0.5994356254192347
Energy: 0.5674569182070442
Energy: 0.5973194932744269
Energy: 0.5490458743994063
Energy: 0.5973194932730288
Energy: 0.5463752565966549
Energy: 0.567241063819067
Energy: 0.5476517193038634
Energy: 0.567241063819067
Energy: 0.5469723610386935
Energy: 0.6462134861368438
Energy: 0.5528809830742232
Energy: 0.6462134861340479
Energy: 0.5478541790234966
Energy: 0.5486481833418334
Energy: 0.5410410156991226
Energy: 0.5486481833404354
Energy: 0.5491273539123142
Energy: 0.5978343269103326
Energy: 0.5491556229075876
Energy: 0.5978343269103326
Energy: 0.5408630206457956
Energy: 0.5486920223065932
Energy: 0.5478257461199378
Energy: 0.5486920223093891

minimum gb energy = 0.5408630206457956 eV
minimum distance =  2.53929560121082 Angstroms
sigma value = 13


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

Energy: 0.536276553439177
Energy: 0.5143093280466751
Energy: 0.6534373452907558
Energy: 0.5143093280624819
Energy: 0.6241494329000387
Energy: 0.5280795805784025
Energy: 0.5083596547609369
Energy: 0.5280795805871914
Energy: 0.5152355766652098
Energy: 0.5145172184940092
Energy: 0.6257644403679059
Energy: 0.5145172184904936
Energy: 0.519390355212901
Energy: 0.5281284819599855
Energy: 0.5061813776824456
Energy: 0.528128481934804
Energy: 0.5156135668893226
Energy: 0.5537788364289744
Energy: 0.5186062832176108
Energy: 0.5537788364336618
Energy: 0.5135566104230731
Energy: 0.5286815025910588
Energy: 0.5229100767805311
Energy: 0.528681502619756
Energy: 0.5154194317843451
Energy: 0.5550578967680251
Energy: 0.5719065546596899
Energy: 0.5550578967410856
Energy: 0.501553041909404
Energy: 0.5281958471755959
Energy: 0.522948028787328
Energy: 0.5281958471685647
Energy: 0.5155706762164097
Energy: 0.5547988817285268
Energy: 0.65587938727329
Energy: 0.5547988816939703
Energy: 0.6221206846130481
Energy: 0.5663754996831795
Energy: 0.506174953427326
Energy: 0.5663754996667735
Energy: 0.5155174154397886
Energy: 0.5669578842754277
Energy: 0.5093712660302198
Energy: 0.5669578842742559
Energy: 0.5297968350789514
Energy: 0.566388806606097
Energy: 0.5064325098929313
Energy: 0.5663888066271772
Energy: 0.5417013778861005
Energy: 0.5250878680681578
Energy: 0.5092724303429891
Energy: 0.5250878680500073
Energy: 0.705747368320831
Energy: 0.5664609931838489
Energy: 0.5067091505429657
Energy: 0.5664609932090305
Energy: 0.5155235628526917
Energy: 0.5146468118940274
Energy: 0.5089032359014078
Energy: 0.5146468118676739
Energy: 0.5132748705654523
Energy: 0.5666873657620467
Energy: 0.5081377080247026
Energy: 0.5666873657661482
Energy: 0.5126358634326693
Energy: 0.5139053125335766
Energy: 0.5088877015411984
Energy: 0.5139053125558286
Energy: 0.5131934798986993
Energy: 0.5534303130948293
Energy: 0.5285911737992505
Energy: 0.5534303130866397
Energy: 0.5127124602355555
Energy: 0.5254220577013445
Energy: 0.5284663374328044
Energy: 0.5254220577382447
Energy: 0.5128948067501335
Energy: 0.5261882218416805
Energy: 0.5284795485879132
Energy: 0.5261882218422663
Energy: 0.5132738584841477
Energy: 0.553439805455942
Energy: 0.5288041759681524
Energy: 0.5534398054588716
Energy: 0.5125320698635647
Energy: 0.5138693219468061
Energy: 0.5088029687175164
Energy: 0.5138693219479781
Energy: 0.5136106145221904
Energy: 0.5668319183796177
Energy: 0.5084428572992251
Energy: 0.5668319183614539
Energy: 0.5156655303720569
Energy: 0.5145375082754903
Energy: 0.5091308031569061
Energy: 0.5145375082585117
Energy: 0.7059404643581039
Energy: 0.5665616392585128
Energy: 0.5064953526390136
Energy: 0.5665616392813506
Energy: 0.541752063513265
Energy: 0.5252015760604205
Energy: 0.5086233184309833
Energy: 0.5252015760738968
Energy: 0.5297663237261212
Energy: 0.566391851720533
Energy: 0.5064319556175637
Energy: 0.5663918517281501
Energy: 0.5154252456055723
Energy: 0.5671409036689491
Energy: 0.5083721111279398
Energy: 0.5671409036794824
Energy: 0.6221768312188773
Energy: 0.5662223999944828
Energy: 0.5061928002855629
Energy: 0.5662223999657855
Energy: 0.515538354178029
Energy: 0.5548468980859087
Energy: 0.610243831155684
Energy: 0.5548468980812212
Energy: 0.5014761913823658
Energy: 0.5284390886575894
Energy: 0.5229307984873014
Energy: 0.5284390886716384
Energy: 0.5153847260466062
Energy: 0.5550832490386831
Energy: 0.707698954984517
Energy: 0.5550832490257928
Energy: 0.5122206580695807
Energy: 0.5287266891910531
Energy: 0.5229251291637735
Energy: 0.5287266891974983
Energy: 0.5155217613925757
Energy: 0.5537286601968726
Energy: 0.5200314940304546
Energy: 0.5537286602279134
Energy: 0.5194717011030185
Energy: 0.5281591835792866
Energy: 0.5061278895700931
Energy: 0.5281591835757711

minimum gb energy = 0.5014761913823658 eV
minimum distance =  2.55915677632534 Angstroms
sigma value = 37


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

Energy: 0.49358541192448635
Energy: 0.4929224198726431
Energy: 0.6260020193819436
Energy: 0.4929224198716465
Energy: 0.4840934953942429
Energy: 0.4927033805799909
Energy: 0.4663875283401202
Energy: 0.4927033805799909
Energy: 0.46270541031776663
Energy: 0.5555765300382421
Energy: 0.8180751355461818
Energy: 0.5555765300392501
Energy: 0.4631737161735836
Energy: 0.49269646779383436
Energy: 0.46630087087173233
Energy: 0.4926964678008908
Energy: 0.46596236956761555
Energy: 0.49251773609573135
Energy: 0.4634629133027349
Energy: 0.49251773609774746
Energy: 0.4580690765278029
Energy: 0.49278258243669903
Energy: 0.46414053674648714
Energy: 0.49278258243669903
Energy: 0.476304920008621
Energy: 0.5172503025682129
Energy: 0.637813055890215
Energy: 0.5172503025712372
Energy: 0.46291900065459296
Energy: 0.49337864927216263
Energy: 0.49514383647816435
Energy: 0.493378649271166
Energy: 0.46593657625123713
Energy: 0.49265184664377176
Energy: 0.7233784314064672
Energy: 0.49265184664578787
Energy: 0.6728879970945535
Energy: 0.5485521479501178
Energy: 0.46428440053375636
Energy: 0.5485521479642192
Energy: 0.47378895582714414
Energy: 0.5168178259006239
Energy: 0.46523690697727205
Energy: 0.5168178259056643
Energy: 0.6740141056186866
Energy: 0.49294671526384554
Energy: 0.4663816180752869
Energy: 0.49294671526384554
Energy: 0.46574850109619287
Energy: 0.49263471532628295
Energy: 0.4574988092811601
Energy: 0.4926347153293072
Energy: 0.6364920941963012
Energy: 0.5167730727895098
Energy: 0.46370814987706266
Energy: 0.516773072791526
Energy: 0.4924993113456739
Energy: 0.5173442650029096
Energy: 0.4647819306309138
Energy: 0.5173442650039177
Energy: 0.49602155792480834
Energy: 0.49284651682164765
Energy: 0.4664529804500035
Energy: 0.4928465168206395
Energy: 0.4659783635149
Energy: 0.5492000317232139
Energy: 0.46082208449642065
Energy: 0.5492000317211977
Energy: 0.4634257253266501
Energy: 0.6701526953940844
Energy: 0.46373728424265154
Energy: 0.6701526953920797
Energy: 0.46339693785873287
Energy: 0.49393617617838836
Energy: 0.4627190515266864
Energy: 0.49393617617838836
Energy: 0.4626080251007006
Energy: 0.4931036863892292
Energy: 0.4624474890317442
Energy: 0.49310368638822105

minimum gb energy = 0.4574988092811601 eV
minimum distance =  2.56635639551878 Angstroms
sigma value = 25


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

Energy: 0.4485674491706475
Energy: 0.4218396414723867
Energy: 0.4126915911066857
Energy: 0.421839641469238
Energy: 0.5617020504654988
Energy: 0.4333699859874583
Energy: 0.4243873021540524
Energy: 0.4333699859921813
Energy: 0.42055015804707063
Energy: 0.42031517973495275
Energy: 0.402807648996522
Energy: 0.4203151797357399
Energy: 0.42109551717929466
Energy: 0.4336074395927379
Energy: 0.42437712200426364
Energy: 0.43360743982956845
Energy: 0.4237213628987433
Energy: 0.43339941665908804
Energy: 0.4076559406227354
Energy: 0.4333994166512253
Energy: 0.4047666164621474
Energy: 0.43384593383004133
Energy: 0.42423039644866123
Energy: 0.43384593384499753
Energy: 0.42610571490131127
Energy: 0.4204794795299468
Energy: 0.4215031502087726
Energy: 0.4204794795299468
Energy: 0.4045152263265942
Energy: 0.4481697990596481
Energy: 0.4214725340469045
Energy: 0.44816979905886095
Energy: 0.4237027521722836
Energy: 0.4334726315242212
Energy: 0.6277763353356297
Energy: 0.4334726315257955
Energy: 0.4046438788707377
Energy: 0.4218927504206801
Energy: 0.44928836907362035
Energy: 0.42189275042461594
Energy: 0.42388183730683293
Energy: 0.42044085136138043
Energy: 0.6906933695217019
Energy: 0.42044085137790205
Energy: 0.583683680039253
Energy: 0.4495016846492879
Energy: 0.4214360098382275
Energy: 0.4495016846492879
Energy: 0.4235692835313847
Energy: 0.4334896078758232
Energy: 0.6198201305956157
Energy: 0.43348960787110913
Energy: 0.5850396598405876
Energy: 0.42039286152909994
Energy: 0.42446836338928257
Energy: 0.42039286152988714
Energy: 0.42369864972570087
Energy: 0.4205431539486004
Energy: 0.404836077557505
Energy: 0.4205431539486004
Energy: 0.5730434415859924
Energy: 0.49384151377618185
Energy: 0.42511613416196814
Energy: 0.4938415137864061
Energy: 0.423738812719905
Energy: 0.44797961191056246
Energy: 0.40289041144457494
Energy: 0.44797961191056246
Energy: 0.5673146904300072
Energy: 0.4331638334494119
Energy: 0.42468033459454474
Energy: 0.4331638334494119
Energy: 0.4515505934596945
Energy: 0.42024982795432764
Energy: 0.40481551206712896
Energy: 0.42024982795747634
Energy: 0.6890589210998619
Energy: 0.49408068430156604
Energy: 0.42543449002476447
Energy: 0.4940806843047147
Energy: 0.42379230517829863
Energy: 0.4480546741151129
Energy: 0.40381807633645966
Energy: 0.44805467413635747
Energy: 0.42486382846098897
Energy: 0.43350739467928423
Energy: 0.4243812906955542
Energy: 0.4335073946808586
Energy: 0.42386695111508693
Energy: 0.42035935995685464
Energy: 0.5846426534866043
Energy: 0.4203593599521316
Energy: 0.4092068094818665
Energy: 0.49422316704352043
Energy: 0.4254260738988385
Energy: 0.49422316704666913
Energy: 0.4223694083397413
Energy: 0.4929853100085199
Energy: 0.571759296247055
Energy: 0.49298531000930707
Energy: 0.4075433646349964
Energy: 0.4483021496124057
Energy: 0.42416984479159864
Energy: 0.4483021496124057

minimum gb energy = 0.402807648996522 eV
minimum distance =  2.569473163822 Angstroms
sigma value = 41


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

Energy: 0.6103220062833151
Energy: 0.3884410539279763
Energy: 0.5328127899600655
Energy: 0.388441053927331
Energy: 0.6121038921981161
Energy: 0.3793639034976679
Energy: 0.3738454656233796
Energy: 0.37936390349122906
Energy: 0.3880076652027479
Energy: 0.3723326835583374
Energy: 0.36456501013906184
Energy: 0.37233268355640137
Energy: 0.4932643672106049
Energy: 0.37979013201712275
Energy: 0.3738470033804529
Energy: 0.3797901320197042
Energy: 0.371654398636161
Energy: 0.39917778574344637
Energy: 0.36714958134119163
Energy: 0.39917778570667606
Energy: 0.3757132827860668
Energy: 0.3799691785924273
Energy: 0.37373936950581355
Energy: 0.3799691785930726
Energy: 0.37339822275634943
Energy: 0.3794303575028823
Energy: 0.3774471706562849
Energy: 0.3794303575009462
Energy: 0.3700593786368903
Energy: 0.3885737590215112
Energy: 0.37207997395109127
Energy: 0.3885737590157177
Energy: 0.37504615265953184
Energy: 0.3886272406508085
Energy: 0.5498370883837317
Energy: 0.38862724064177356
Energy: 0.3640081100741778
Energy: 0.3725093458833862
Energy: 0.38851561201667695
Energy: 0.37250934588015944
Energy: 0.3734890281015869
Energy: 0.3795360411470536
Energy: 0.70090608181646
Energy: 0.37953604114640827
Energy: 0.36466845615843746
Energy: 0.38859917771532415
Energy: 0.610185548908233
Energy: 0.38859917771855096
Energy: 0.3750473849437152
Energy: 0.39003543782069056
Energy: 0.6999943414797529
Energy: 0.39003543781617306
Energy: 0.511276993704284
Energy: 0.4261358481477371
Energy: 0.38846297524275253
Energy: 0.4261358481548359
Energy: 0.37345632426489556
Energy: 0.37958296964082705
Energy: 0.6037871930563395
Energy: 0.37958296963953636
Energy: 0.5082436694778092
Energy: 0.38938279266836406
Energy: 0.37215641979072916
Energy: 0.38938279266965475
Energy: 0.3750822707582088
Energy: 0.38847526576174785
Energy: 0.5443026689660511
Energy: 0.38847526575658503
Energy: 0.510673222919502
Energy: 0.42625164733590837
Energy: 0.37378417541145453
Energy: 0.42625164732688814
Energy: 0.37343671329030786
Energy: 0.38852885792583686
Energy: 0.36961273720419763
Energy: 0.388528857918738
Energy: 0.5151851104513253
Energy: 0.38906249482970223
Energy: 0.3772440646443285
Energy: 0.38906249483357436
Energy: 0.38976030412543605
Energy: 0.38868102597454396
Energy: 0.3626738454778164
Energy: 0.3886810259622823
Energy: 0.6997842665329069
Energy: 0.4008647083699979
Energy: 0.37383112945746777
Energy: 0.4008647084306314
Energy: 0.6096731265730936
Energy: 0.3879563616144437
Energy: 0.3716288239040813
Energy: 0.3879563616079902
Energy: 0.6169220857586758
Energy: 0.3923158817342693
Energy: 0.3770836540499674
Energy: 0.3923158817297519
Energy: 0.389883452587393
Energy: 0.42626373611721036
Energy: 0.3619350406097608
Energy: 0.4262637361307481
Energy: 0.6037242277688797
Energy: 0.39833667113290305
Energy: 0.37383667249629876
Energy: 0.3983366711109758
Energy: 0.37342833036600287
Energy: 0.3886220508337341
Energy: 0.5179521299538593
Energy: 0.38862205083115264
Energy: 0.3797734027151793
Energy: 0.38858590997335335
Energy: 0.3771834674134672
Energy: 0.3885859099862604
Energy: 0.3751485406662611
Energy: 0.4267191661628215
Energy: 0.5079924987597118
Energy: 0.42671916616862965
Energy: 0.37017311159998206
Energy: 0.4112046744859885
Energy: 0.37551951899316577
Energy: 0.4112046744930727
Energy: 0.3793404264543254
Energy: 0.3879951661425775
Energy: 0.5128058993325378
Energy: 0.3879951661367693
Energy: 0.3650697218340965
Energy: 0.3886678589624203
Energy: 0.39214517789712433
Energy: 0.38866785896758316

minimum gb energy = 0.3619350406097608 eV
minimum distance =  2.56008868767922 Angstroms
sigma value = 15


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

Energy: 0.5998351694447075
Energy: 0.35341564243348184
Energy: 0.6040594276931419
Energy: 0.35341564244004225
Energy: 0.6695426400616409
Energy: 0.3476477770941736
Energy: 0.3473499674835645
Energy: 0.347647776994152
Energy: 0.41093120622055884
Energy: 0.3517980610469916
Energy: 0.33815255740911543
Energy: 0.35179806106664796
Energy: 0.5863435344490556
Energy: 0.3516658782139248
Energy: 0.34745819898951386
Energy: 0.3516658782226721
Energy: 0.3962620937256919
Energy: 0.3494784522243452
Energy: 0.33832853814169245
Energy: 0.34947845217134005
Energy: 0.4875036808676666
Energy: 0.34649244516414124
Energy: 0.3475153270540546
Energy: 0.34649244517833067
Energy: 0.35091550409545186
Energy: 0.3542125440296827
Energy: 0.3906510732215317
Energy: 0.35421254401218827
Energy: 0.49191849163082263
Energy: 0.3525020556120438
Energy: 0.35153261655190604
Energy: 0.35250205559509606
Energy: 0.3482366897986893
Energy: 0.35457903660273454
Energy: 0.4944369677817639
Energy: 0.35457903661202844
Energy: 0.38777011342680556
Energy: 0.3492700307714507
Energy: 0.3965112588178846
Energy: 0.3492700307725441
Energy: 0.3469917820956815
Energy: 0.34683243658631646
Energy: 0.586813380811257
Energy: 0.3468324365956104
Energy: 0.33481454478124273
Energy: 0.35182936326830744
Energy: 0.4111750182037817
Energy: 0.3518293632644805
Energy: 0.3483487184290746
Energy: 0.35804232327841046
Energy: 0.7472284575027981
Energy: 0.3580423233079324
Energy: 0.3340697541906015
Energy: 0.3489289940226368
Energy: 0.54700004004796
Energy: 0.3489289937931214
Energy: 0.34715856700431474
Energy: 0.34737197953860693
Energy: 0.7076926589996976
Energy: 0.34737197950910986
Energy: 0.46192045365711054
Energy: 0.3520766021652111
Energy: 0.4112767835296341
Energy: 0.3520766021548238
Energy: 0.3481200588592339
Energy: 0.3587772433167365
Energy: 0.6644971662741144
Energy: 0.35877724321017934
Energy: 0.46043019500097554
Energy: 0.3508051622636798
Energy: 0.39651919353757553
Energy: 0.35080516242269555
Energy: 0.3478727882190798
Energy: 0.3462720039935191
Energy: 0.5813659014085852
Energy: 0.3462720039891454
Energy: 0.5117042184794595
Energy: 0.3469314983879982
Energy: 0.35141799169189225
Energy: 0.34693149837216875
Energy: 0.35259796520071485
Energy: 0.3605891529384839
Energy: 0.48909013343743163
Energy: 0.3605891529226544
Energy: 0.5161652800421285
Energy: 0.3533743929047215
Energy: 0.3493906104689967
Energy: 0.35337439287738637
Energy: 0.3972971539605966
Energy: 0.3473805090982176
Energy: 0.3862008686923674
Energy: 0.3473805091228192
Energy: 0.690280160531623
Energy: 0.3472833552406301
Energy: 0.3473538972369062
Energy: 0.3472833552226138
Energy: 0.4120834928752505
Energy: 0.3618299744314418
Energy: 0.3845717520318391
Energy: 0.36182997443472203
Energy: 0.6741695247003543
Energy: 0.35340867163440814
Energy: 0.3494856108698602
Energy: 0.3534086716376635
Energy: 0.5967581245780839
Energy: 0.3511809859322635
Energy: 0.3328713311862974
Energy: 0.35118098594593106
Energy: 0.7467133884810805
Energy: 0.34674562695023364
Energy: 0.3473547233142994
Energy: 0.3467456269687967
Energy: 0.4118988957971717
Energy: 0.48835503539782077
Energy: 0.3333286421498288
Energy: 0.48835503541146347
Energy: 0.5908117209243174
Energy: 0.3586335317141414
Energy: 0.3495487561256427
Energy: 0.35863353171851514
Energy: 0.3972971745757552
Energy: 0.35048235546218015
Energy: 0.45854254922747784
Energy: 0.3504823554392187
Energy: 0.5829712965788942
Energy: 0.3460855291118157
Energy: 0.3486835747254136
Energy: 0.34608552911345586
Energy: 0.35265847531677924
Energy: 0.3927031107236085
Energy: 0.5098504927103792
Energy: 0.39270311075094355
Energy: 0.39650238269982996
Energy: 0.3604027990914815
Energy: 0.3542219762441875
Energy: 0.3604027991046023
Energy: 0.34368483987070597
Energy: 0.3784514646378806
Energy: 0.5142511080598974
Energy: 0.37845146464061413
Energy: 0.39074591745471826
Energy: 0.3469500888748616
Energy: 0.398588540201003
Energy: 0.346950088898345
Energy: 0.3483388592480094
Energy: 0.3965959050369566
Energy: 0.6880054155103998
Energy: 0.3965959050358631

minimum gb energy = 0.3328713311862974 eV
minimum distance =  2.56717045579622 Angstroms
sigma value = 85


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

Energy: 0.5579416492989642
Energy: 0.3483117799711898
Energy: 0.3953206391352287
Energy: 0.3483117799555534
Energy: 0.6796840685761121
Energy: 0.3417624605711456
Energy: 0.32016623780340625
Energy: 0.34176246057730963
Energy: 0.5385834088451906
Energy: 0.345748646687384
Energy: 0.3036745179985606
Energy: 0.3457486466850132
Energy: 0.6056755800034629
Energy: 0.3396900204531977
Energy: 0.3202312819318284
Energy: 0.33969002046031005
Energy: 0.3822661077822775
Energy: 0.32485804866959456
Energy: 0.30449994227132393
Energy: 0.32485804867338774
Energy: 0.5318013165080936
Energy: 0.3452636978022257
Energy: 0.32020369929918874
Energy: 0.34526369779795835
Energy: 0.3624259931529852
Energy: 0.35055660623439117
Energy: 0.3553680181648915
Energy: 0.35055660623771023
Energy: 0.5107849935687927
Energy: 0.3387597773838054
Energy: 0.3255372710185142
Energy: 0.3387597773382972
Energy: 0.3248253264915891
Energy: 0.32907525043856384
Energy: 0.4501691025137958
Energy: 0.32907525043524477
Energy: 0.42996133215167603
Energy: 0.3462849819321559
Energy: 0.3627563869901041
Energy: 0.3462849819245694
Energy: 0.3209836731227086
Energy: 0.3390846174627852
Energy: 0.5321225572800178
Energy: 0.33908461745519863
Energy: 0.3413126178418337
Energy: 0.3424134328567496
Energy: 0.3825612344491419
Energy: 0.34241343286954096
Energy: 0.3200227674530621
Energy: 0.3284393375700365
Energy: 0.637861239482833
Energy: 0.3284393375672023
Energy: 0.29645919727147735
Energy: 0.3458415225975446
Energy: 0.5385784428328869
Energy: 0.34584152259138057
Energy: 0.32096677059703915
Energy: 0.3391937156856441
Energy: 0.7381265681991569
Energy: 0.3391937156785318
Energy: 0.2955372353189123
Energy: 0.3410977962244594
Energy: 0.512637354997024
Energy: 0.34109779623061265
Energy: 0.31992089520990863
Energy: 0.32897497370897083
Energy: 0.7005409412690426
Energy: 0.3289749737122899
Energy: 0.4026429103816194
Energy: 0.3458440434034117
Energy: 0.5387276259778603
Energy: 0.34584404339819597
Energy: 0.32088061918584415
Energy: 0.33960752201716893
Energy: 0.6637389613305079
Energy: 0.3396075220223847
Energy: 0.40554731397398347
Energy: 0.3411201119717097
Energy: 0.38254339588874153
Energy: 0.3411201119840378
Energy: 0.32043684359579877
Energy: 0.3339089858484008
Energy: 0.5881148079508073
Energy: 0.33390898584792666
Energy: 0.44849641060629414
Energy: 0.339234113382557
Energy: 0.3627093008183092
Energy: 0.3392341133801863
Energy: 0.325779827030104
Energy: 0.33868522408924673
Energy: 0.5108133844729236
Energy: 0.3386852240906692
Energy: 0.454919273436026
Energy: 0.3513838120668486
Energy: 0.3253432184922773
Energy: 0.35138381205690217
Energy: 0.3636052967305292
Energy: 0.3397782405964058
Energy: 0.4288958467038758
Energy: 0.33977824060162154
Energy: 0.6145920802013234
Energy: 0.33920243754713364
Energy: 0.3215509600438528
Energy: 0.33920243755282353
Energy: 0.3834481464959315
Energy: 0.3386989701151426
Energy: 0.34320871346522563
Energy: 0.33869897013077893
Energy: 0.6216256576363499
Energy: 0.3533062588810853
Energy: 0.3203415920396365
Energy: 0.353306258880137
Energy: 0.5381578800125248
Energy: 0.3464373325558336
Energy: 0.3391245608628737
Energy: 0.34643733257905646
Energy: 0.7421860406568421
Energy: 0.33923025548731356
Energy: 0.3219555065000478
Energy: 0.33923025546456487
Energy: 0.5580228471436509
Energy: 0.34517607760182467
Energy: 0.297978385260833
Energy: 0.34517607760560715
Energy: 0.6763580747393287
Energy: 0.35011927332944537
Energy: 0.320256094490069
Energy: 0.35011927333513526
Energy: 0.5381611066305559
Energy: 0.3464659900587728
Energy: 0.29791427517417995
Energy: 0.34646599006825596
Energy: 0.6636801106902291
Energy: 0.3396295503504426
Energy: 0.32164087865807056
Energy: 0.33962955034522685
Energy: 0.38331275176791946
Energy: 0.3386193214985498
Energy: 0.40833979011786575
Energy: 0.3386193214985498
Energy: 0.5209669113829827
Energy: 0.3562922285198067
Energy: 0.32134674322014967
Energy: 0.3562922285198067
Energy: 0.36362358836529485
Energy: 0.33946780805016824
Energy: 0.4473046836084609
Energy: 0.3394678080520649
Energy: 0.5108323291470234
Energy: 0.33855430457835634
Energy: 0.3268808123698271
Energy: 0.33855430457835634
Energy: 0.32648983240916385
Energy: 0.33845440374402747
Energy: 0.4548362483286142
Energy: 0.33845440381986003
Energy: 0.3482599215499334
Energy: 0.36191542756529566
Energy: 0.36485665097538056
Energy: 0.3619154275671923
Energy: 0.32183629942181075
Energy: 0.3393288098505389
Energy: 0.6146555505124316
Energy: 0.33932880986475283
Energy: 0.3416408853251692
Energy: 0.33854087691174417
Energy: 0.38479036213683526
Energy: 0.33854087708947705
Energy: 0.3211495377364042
Energy: 0.3386257255557192
Energy: 0.6217288544927488
Energy: 0.3386257254794125

minimum gb energy = 0.2955372353189123 eV
minimum distance =  2.58229601692568 Angstroms
sigma value = 113


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

Energy: 0.005685004592726074
Energy: 0.006028975981472035
Energy: 0.3876673578678301
Energy: 0.006028975975417184
Energy: 0.38742226467177693
Energy: 0.14930633408032704
Energy: 0.15003738867096264
Energy: 0.14930633408139016
Energy: 0.005685004594508104
Energy: 0.006028975977553595
Energy: 0.3876673569123784
Energy: 0.00602897597399966
Energy: 0.38742226467426777
Energy: 0.14930633407925376
Energy: 0.15003738867025387
Energy: 0.14930633408139016
Energy: 0.005685004594508104
Energy: 0.006028975978272482
Energy: 0.3876673570089219
Energy: 0.006028975977553595
Energy: 0.3874222646714226
Energy: 0.14930633407676294
Energy: 0.15003738867559996
Energy: 0.14930633407961824

minimum gb energy = 0.005685004592726074 eV
minimum distance =  2.80245258414342 Angstroms
sigma value = 1