Model name: model_name=EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855324625968933
cohesive_energy=4.122759316665687
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19]
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: 0.012742794222472697
Energy: 0.9274358272423452
Energy: 1.6368670999658628
Energy: 0.012843748657622809
Energy: 0.9274358272423452
Energy: 0.2145904816344365
Energy: 0.927062503233473
Energy: 0.21459048163641933
Energy: 1.6368670999658628
Energy: 0.927062503233473
Energy: 1.25460511574116
Energy: 0.927062503233473
Energy: 0.012843748657622809
Energy: 0.2145904816344365
Energy: 0.927062503233473
Energy: 0.21459048163541394

minimum gb energy = 0.012742794222472697 eV
minimum distance =  2.4312412459724 Angstroms
sigma value = 1


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

Energy: 1.9810529668266323
Energy: 0.8903488459146728
Energy: 0.8914528253876921
Energy: 1.0057258899094172
Energy: 1.7334268705168339
Energy: 0.9911252102625445
Energy: 0.9902765989077006
Energy: 0.9911252102613252
Energy: 1.7441813602634852
Energy: 0.8926359006166127
Energy: 0.8926618090882141
Energy: 0.8926359006190511
Energy: 1.7453298424252954
Energy: 0.9188547730763302
Energy: 0.8909799164335824
Energy: 0.9188547730763302
Energy: 1.832106145325588
Energy: 0.890370447003209
Energy: 1.2822443613364594
Energy: 0.890370447003209
Energy: 1.7553174310369364
Energy: 0.9190432489254734
Energy: 1.2013002622099582
Energy: 0.9190432489266925
Energy: 1.657312952295311
Energy: 0.8922354446937766
Energy: 1.2155539539075613
Energy: 0.8922354446937766
Energy: 1.5017652680682547
Energy: 0.8904387909074644
Energy: 1.1798878906312573
Energy: 0.890438790909903
Energy: 1.4385801344743347
Energy: 0.8901523477994975
Energy: 1.1796194521434515
Energy: 0.8901523478018807
Energy: 1.5123466728849344
Energy: 0.955584545449937
Energy: 1.5092196634180972
Energy: 0.9555845454487176
Energy: 1.4987524276145257
Energy: 0.8904742634323582
Energy: 1.4214473392866989
Energy: 0.8904742634323582
Energy: 1.1824073597069666
Energy: 0.8906246119838815
Energy: 1.5097584796777492
Energy: 0.8906246119838815
Energy: 1.246861443931567
Energy: 0.8919774950909868
Energy: 1.49849824192734
Energy: 0.8919774950909868
Energy: 1.2004223993635024
Energy: 0.9187472894647235
Energy: 1.7545930807159142
Energy: 0.9187472894647235
Energy: 1.2087424873764692
Energy: 0.8907059692362399
Energy: 1.5709640726321354
Energy: 0.8907059692350207
Energy: 0.8905532611912644
Energy: 0.9187966993930899
Energy: 1.7589442838994238
Energy: 0.9187966993943092
Energy: 0.8926115149782634
Energy: 0.8921290924233608
Energy: 1.762759252438581
Energy: 0.8921290924257993
Energy: 0.9597882829829897
Energy: 0.9239394443125691
Energy: 1.7325391253766125
Energy: 0.9239394443113498
Energy: 0.891092335085542
Energy: 0.8905321387486514
Energy: 1.6548739538586152
Energy: 0.8905321387486514
Energy: 1.0356973760060353
Energy: 0.957589055888206
Energy: 1.74417947388022
Energy: 0.957589055888206
Energy: 0.9982882560936281
Energy: 0.8919306191222478
Energy: 1.7437627677435277
Energy: 0.8919306191222478
Energy: 0.9960728691536702
Energy: 0.8901626597808696
Energy: 1.6784759705099856
Energy: 0.8901626597796504
Energy: 0.9917323558502448
Energy: 0.8901011840707018
Energy: 1.4958243920563843
Energy: 0.8901011840694826
Energy: 1.344110346214488
Energy: 0.8903081342683851
Energy: 1.6816765136980998
Energy: 0.8903081342647273
Energy: 1.370022612426356
Energy: 0.8916448290957858
Energy: 1.6664498788270854
Energy: 0.8916448290677422
Energy: 1.345619327282857
Energy: 1.140244542134075
Energy: 1.3416165408286638
Energy: 1.140244542135294
Energy: 1.3452101459645112
Energy: 0.9571768934519942
Energy: 1.427676756476867
Energy: 0.9571768934544329
Energy: 1.6790668421765922
Energy: 0.8904392214518986
Energy: 1.3408357639100887
Energy: 0.8904392214506792
Energy: 1.5728314973605309
Energy: 0.8903512380803483
Energy: 1.3499515999182858
Energy: 0.8903512380803483
Energy: 1.5706282625007384
Energy: 0.8903211332572035
Energy: 0.9964591111514617
Energy: 0.8903211332535459
Energy: 1.667445055672468
Energy: 0.89105319903323
Energy: 1.009953461478985
Energy: 0.8910531990344492
Energy: 1.7464115371303373
Energy: 0.8919171972573781
Energy: 1.0367774205126568
Energy: 0.8919171972561588
Energy: 1.7470581971782806
Energy: 0.890621591655191
Energy: 0.9826129097944558
Energy: 0.8906215916539717

minimum gb energy = 0.8901011840694826 eV
minimum distance =  2.31382161711501 Angstroms
sigma value = 1


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

Energy: 2.198632872790416
Energy: 0.9237898180521917
Energy: 1.0075416305745457
Energy: 1.084802784596524
Energy: 1.7106254326214885
Energy: 1.0023742399545363
Energy: 1.0018160901260014
Energy: 1.0023742399545363
Energy: 1.7080418346825414
Energy: 0.923376814634956
Energy: 0.9230743641161352
Energy: 0.9233768146335659
Energy: 1.6966028944745652
Energy: 1.0019464189309244
Energy: 1.0060151075053132
Energy: 1.0019464189309244
Energy: 1.85224183290669
Energy: 0.9242156119149127
Energy: 1.081266097943684
Energy: 0.9242156119149127
Energy: 1.6930052211549
Energy: 1.0020546508071733
Energy: 1.2292039054228971
Energy: 1.0020546508071733
Energy: 1.7079203382758739
Energy: 0.926251609976494
Energy: 1.1473687659707177
Energy: 0.926251609976494
Energy: 1.5350083643625527
Energy: 0.9245281615310493
Energy: 1.1530686122465352
Energy: 0.9245281615282689
Energy: 1.520436213067648
Energy: 0.9239902098040652
Energy: 1.1644945356163505
Energy: 0.9239902098068455
Energy: 1.5263928558019273
Energy: 1.002658866463672
Energy: 1.517581473602197
Energy: 1.002658866463672
Energy: 1.528075013626345
Energy: 0.9230810343997126
Energy: 1.3327591052114163
Energy: 0.9230810343997126
Energy: 1.1408139090448093
Energy: 0.9245096414459273
Energy: 1.333045735025056
Energy: 0.9245096414417566
Energy: 1.198378294598557
Energy: 0.9236550738207622
Energy: 1.5189256976056642
Energy: 0.9236550738221524
Energy: 1.2161939894808096
Energy: 0.9236056865231652
Energy: 1.709191906978388
Energy: 0.9236056865217749
Energy: 1.0330244938691562
Energy: 0.924272939827495
Energy: 1.681286706197121
Energy: 0.9242729398288851
Energy: 1.0018478680937504
Energy: 1.002717222152709
Energy: 1.711452144449548
Energy: 1.0027172221540994
Energy: 0.9229075583539254
Energy: 0.9233703777086861
Energy: 1.7080518510828169
Energy: 0.923370377707296
Energy: 1.0052273101149178
Energy: 0.9258112903468114
Energy: 1.6952606337346938
Energy: 0.9258112903468114
Energy: 1.0030981280489288
Energy: 0.9244560042214327
Energy: 1.5032948792408931
Energy: 0.9244560042214327
Energy: 1.222390587523338
Energy: 1.002144587474928
Energy: 1.6937739081516565
Energy: 1.002144587476318
Energy: 1.1442327548491793
Energy: 0.9262991416200022
Energy: 1.7079067546743667
Energy: 0.9262991416200022
Energy: 1.1497457452729778
Energy: 0.9245152634177313
Energy: 1.526660132090293
Energy: 0.9245152634191216
Energy: 1.1518450359727395
Energy: 0.9244172188371869
Energy: 1.520732808553376
Energy: 0.9244172188371869
Energy: 1.5181274005129197
Energy: 1.0026275584704694
Energy: 1.5312747283351862
Energy: 1.0026275584718278
Energy: 1.3300927674703835
Energy: 0.9246993650706661
Energy: 1.5271275364913832
Energy: 0.9246993650720563
Energy: 1.3297944200047893
Energy: 0.9245483229433766
Energy: 1.2164899957947322
Energy: 0.9245483229419863
Energy: 1.5185044726978636
Energy: 0.9233235084125866
Energy: 1.2215874913686282
Energy: 0.9233235084111965
Energy: 1.7095721756606137
Energy: 0.9235451278099818
Energy: 1.2161435610125322
Energy: 0.9235451278113721
Energy: 1.7030105186594802
Energy: 0.924457510401676
Energy: 1.1417222080430522
Energy: 0.924457510401676

minimum gb energy = 0.9229075583539254 eV
minimum distance =  2.32035668819537 Angstroms
sigma value = 25


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

Energy: 2.081876108412206
Energy: 0.9876792422058776
Energy: 0.9871179103571959
Energy: 1.0907295184881582
Energy: 1.6142660325801403
Energy: 1.0265541970265928
Energy: 1.108507219245426
Energy: 1.0265541970282088
Energy: 1.6173693118545047
Energy: 0.9902465638536826
Energy: 0.9901582045826304
Energy: 0.9902465638552986
Energy: 1.6178170197896142
Energy: 1.0173532812419621
Energy: 1.018806591190984
Energy: 1.0173532812419621
Energy: 1.5333833109677304
Energy: 0.9865915504646522
Energy: 1.3976405198733883
Energy: 0.9865915504646522
Energy: 1.6396182551685754
Energy: 1.0174848872649107
Energy: 1.359121788465783
Energy: 1.0174848872632947
Energy: 1.617954359132541
Energy: 1.1383530912593838
Energy: 1.3415034185754366
Energy: 1.1383530912577677
Energy: 1.3306771519621576
Energy: 1.2280929137335075
Energy: 1.3405644655260285
Energy: 1.2280929137351235
Energy: 1.341091384412469
Energy: 1.1383817090624218
Energy: 1.3407581248919023
Energy: 1.1383817090624218
Energy: 1.363280903986995
Energy: 0.987222522423142
Energy: 1.6193493740493663
Energy: 0.987222522423142
Energy: 1.2958701136572361
Energy: 0.9869509573867066
Energy: 1.6308316374398426
Energy: 0.9869509573867066
Energy: 1.0183596473520726
Energy: 1.0178793629710423
Energy: 1.6302009636268497
Energy: 1.0178793629694263
Energy: 0.9820459423474746
Energy: 0.9864993205846212
Energy: 1.6169581499312695
Energy: 0.9864993205846212
Energy: 1.0673047426774125
Energy: 0.9871971167661349
Energy: 1.6142622799861774
Energy: 0.987197116767751
Energy: 1.0185934928349831
Energy: 0.9875922632264796
Energy: 1.5314741862543955
Energy: 0.9875922632248635
Energy: 1.236342942818366
Energy: 1.1082917204652658
Energy: 1.6153973691253267
Energy: 1.1082917204668814
Energy: 1.1245385250638178
Energy: 0.9869994802243429
Energy: 1.6181576580541417
Energy: 0.9869994802259221
Energy: 1.1238917210020263
Energy: 0.9874132475027724
Energy: 1.5281482275528449
Energy: 0.9874132475043885
Energy: 1.198014186178089
Energy: 0.9876297584323067
Energy: 1.5005715289888657
Energy: 0.9876297584306906
Energy: 1.5469884643914273
Energy: 1.0744766929620984
Energy: 1.528500254033175
Energy: 1.0744766929620984
Energy: 1.4342115596162752
Energy: 0.9866789871177145
Energy: 1.5279733697122198
Energy: 0.9866789871160984
Energy: 1.4349951872492877
Energy: 0.9870889449738258
Energy: 1.166706827529869
Energy: 0.987088944975442
Energy: 1.5282212291632724
Energy: 0.9888358714073779
Energy: 1.1566995430699378
Energy: 0.9888358714073779
Energy: 1.6174868553175907
Energy: 0.9828016964402563
Energy: 1.2325212832271482
Energy: 0.9828016964386405
Energy: 1.6291846720597296
Energy: 0.9872627865022805
Energy: 1.1478235779195005
Energy: 0.9872627865022805

minimum gb energy = 0.9820459423474746 eV
minimum distance =  2.31005935796031 Angstroms
sigma value = 9


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

Energy: 2.175328439000737
Energy: 1.1658285540952935
Energy: 1.186180045271292
Energy: 1.1786849993031254
Energy: 1.6215029672588643
Energy: 1.0895971257894936
Energy: 1.1344473656896374
Energy: 1.089597125788924
Energy: 1.6202650865786647
Energy: 1.0829742757246605
Energy: 1.082209692837281
Energy: 1.082974275725055
Energy: 1.6213894974212237
Energy: 1.182004884225936
Energy: 1.1864533625729956
Energy: 1.1820048842261333
Energy: 1.645814561742669
Energy: 1.088995520948515
Energy: 1.1946519790025458
Energy: 1.0889955190906888
Energy: 1.6229161949844986
Energy: 1.082639962008051
Energy: 1.3078783694183795
Energy: 1.0826399620020706
Energy: 1.5281584267036583
Energy: 1.0982523772303143
Energy: 1.216668457673734
Energy: 1.0982523772303143
Energy: 1.492566302498572
Energy: 1.1808168209707572
Energy: 1.314728321416095
Energy: 1.1808168209697933
Energy: 1.3813377033275485
Energy: 1.097345458533175
Energy: 1.2302768377584246
Energy: 1.0973454585347082
Energy: 1.373194096041673
Energy: 1.149727919780053
Energy: 1.4848046538313433
Energy: 1.1497279197806225
Energy: 1.223788695402388
Energy: 1.0038610806171528
Energy: 1.4852175646627273
Energy: 1.0038610806169557
Energy: 1.132220194949416
Energy: 1.0032062613224706
Energy: 1.4850302268785107
Energy: 1.0032062613219008
Energy: 1.1400842667284816
Energy: 1.0047579416672714
Energy: 1.5033596128731908
Energy: 1.0047579416667018
Energy: 1.3562491714507525
Energy: 1.2412075479035019
Energy: 1.447767770176496
Energy: 1.2412075479031297
Energy: 1.1317650883548853
Energy: 1.0037967419842422
Energy: 1.6455988097910474
Energy: 1.0037967419842422
Energy: 1.4786612708625757
Energy: 1.3321378040079928
Energy: 1.4475750555853986
Energy: 1.3321378040074232
Energy: 1.2166439355690646
Energy: 1.2511829575827305
Energy: 1.4472651463970314
Energy: 1.2511829575831028
Energy: 1.2165584709708301
Energy: 1.251545350210227
Energy: 1.3934688747618593
Energy: 1.2515453502104241
Energy: 1.373553504119218
Energy: 1.2430832734083723
Energy: 1.5028901389501128
Energy: 1.2430832734085695
Energy: 1.620846551079903
Energy: 1.2431637448247657
Energy: 1.3937656409107781
Energy: 1.2431637448241961
Energy: 1.5231878137956207
Energy: 1.13451055887027
Energy: 1.394393232272555
Energy: 1.13451055887027

minimum gb energy = 1.0032062613219008 eV
minimum distance =  2.26474879724546 Angstroms
sigma value = 25


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

Energy: 1.6245742731552146
Energy: 1.2030265657310382
Energy: 1.2489057919386801
Energy: 1.1870294960977061
Energy: 1.4433824757817992
Energy: 1.1318672018908194
Energy: 1.212803398465028
Energy: 1.1318672018900877
Energy: 1.4496397709453916
Energy: 1.1174736940884658
Energy: 1.1156556578966337
Energy: 1.1174736940879781
Energy: 1.432577831013468
Energy: 1.1195580076517762
Energy: 1.1189639254925259
Energy: 1.1195580076515594
Energy: 1.3586086236017627
Energy: 1.1161717342963935
Energy: 1.4959722559588533
Energy: 1.1161717342956892
Energy: 1.455823052945369
Energy: 1.2391073561594528
Energy: 1.425939941054449
Energy: 1.2391073561589923
Energy: 1.4491653183320061
Energy: 1.1185493411602665
Energy: 1.503043175462269
Energy: 1.1185493411602665
Energy: 1.1186394230438466
Energy: 1.1193969351625754
Energy: 1.496793740162494
Energy: 1.1193969351628192
Energy: 1.1192401144640536
Energy: 1.1173867705237077
Energy: 1.4418352229469267
Energy: 1.1173867705241682
Energy: 1.1861523869540087
Energy: 1.1173892955923166
Energy: 1.440144531478208
Energy: 1.1173892955908806
Energy: 1.117245499118264
Energy: 1.1333229183840707
Energy: 1.4348536751288246
Energy: 1.133322918382391
Energy: 1.4478278526137802
Energy: 1.1319697783192835
Energy: 1.4345128245024357
Energy: 1.1319697783197442
Energy: 1.3040391765203563
Energy: 1.1170578839401848
Energy: 1.4422215071210072
Energy: 1.1170578839408891
Energy: 1.3025958499790096
Energy: 1.241776693022555
Energy: 1.3667391206314925
Energy: 1.241776693022555
Energy: 1.3909439890471107
Energy: 1.2414822631409408
Energy: 1.3626889094665244
Energy: 1.241482263140697
Energy: 1.441108936613625
Energy: 1.2413400914691028
Energy: 1.3692760680391682
Energy: 1.2413400914693467
Energy: 1.3541703555239712
Energy: 1.2495795784949277
Energy: 1.3812933604529063
Energy: 1.2495795784946842

minimum gb energy = 1.1156556578966337 eV
minimum distance =  2.3039605576935 Angstroms
sigma value = 17


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

Energy: 1.6150238378196515
Energy: 1.1967283835579177
Energy: 1.2925022629187803
Energy: 1.2305056316419556
Energy: 1.3941823312523918
Energy: 1.1321851062140893
Energy: 1.2963234133996235
Energy: 1.132185106212739
Energy: 1.393793827211225
Energy: 1.1328771407391034
Energy: 1.1344513422838838
Energy: 1.132877140737753
Energy: 1.4113027570518928
Energy: 1.1232062678683543
Energy: 1.1222303116919787
Energy: 1.1232062678683543
Energy: 1.4077387632606193
Energy: 1.27174206675176
Energy: 1.4349585780683376
Energy: 1.2717420667504098
Energy: 1.3600217538089228
Energy: 1.1384002497277326
Energy: 1.350535034720167
Energy: 1.1384002497236818
Energy: 1.3863645350559612
Energy: 1.15701746524863
Energy: 1.4420727314227813
Energy: 1.157017465252681
Energy: 1.226762252583187
Energy: 1.2272164315918221
Energy: 1.3860717337336403
Energy: 1.2272164315918221
Energy: 1.1550859945514411
Energy: 1.1384115722385366
Energy: 1.3661413908120434
Energy: 1.1384115722398869
Energy: 1.147297390191989
Energy: 1.1388878170919643
Energy: 1.366722274698848
Energy: 1.1388878170946648
Energy: 1.1408594281041342
Energy: 1.237849495087781
Energy: 1.4124148903300071
Energy: 1.237849495087781
Energy: 1.3616747373839893
Energy: 1.1317706523951658
Energy: 1.367198594412534
Energy: 1.131770652396516
Energy: 1.442874277428933
Energy: 1.257926424516457
Energy: 1.3701643323051793
Energy: 1.2579264245178075
Energy: 1.4433432069199368
Energy: 1.1485543381102004
Energy: 1.148814903263009
Energy: 1.1485543381115506
Energy: 1.345085708894667
Energy: 1.1312409096650988
Energy: 1.1506039082470814
Energy: 1.1312409096637486
Energy: 1.3448400208422375
Energy: 1.1384237756171318
Energy: 1.1793625742056775
Energy: 1.1384237756171318
Energy: 1.4223913335821807
Energy: 1.2262272404388983
Energy: 1.227590129280393
Energy: 1.2262272404388983
Energy: 1.4227040593964713
Energy: 1.2262634116261324
Energy: 1.426838743950615
Energy: 1.2262634116261324
Energy: 1.3446306246010782
Energy: 1.1380460201035463
Energy: 1.3761430064720395
Energy: 1.1380460201035463
Energy: 1.162444079639919
Energy: 1.2715742564515147
Energy: 1.4283529147272729
Energy: 1.2715742564515147
Energy: 1.1212152832467712
Energy: 1.1337635968753281
Energy: 1.3754542968539598
Energy: 1.1337635968739777
Energy: 1.1912937776700645
Energy: 1.1330103622267502
Energy: 1.3754916754423405
Energy: 1.1330103622267502
Energy: 1.1873634590653992
Energy: 1.1848577694589986
Energy: 1.3752775426842498
Energy: 1.1848577694616993
Energy: 1.3127433504178643
Energy: 1.1349695737402918
Energy: 1.4216494618591555
Energy: 1.1349695737402918
Energy: 1.3773551027584812
Energy: 1.1328560319005279
Energy: 1.3775864003961185
Energy: 1.1328560318991776
Energy: 1.2460294114228379
Energy: 1.2346339853430073
Energy: 1.377227537892091
Energy: 1.234633985347058
Energy: 1.2952087899823683
Energy: 1.2372284846689312
Energy: 1.289492006213172
Energy: 1.2372284846675807
Energy: 1.3841522945105234
Energy: 1.234488434395953
Energy: 1.250528497186838
Energy: 1.234488434395953
Energy: 1.3933200498922567
Energy: 1.1324337833529645
Energy: 1.3695331637001444
Energy: 1.1324337833543148
Energy: 1.3840718950371198
Energy: 1.1352248815599346
Energy: 1.3120270928803974
Energy: 1.1352248815599346

minimum gb energy = 1.1212152832467712 eV
minimum distance =  2.28753271009845 Angstroms
sigma value = 53


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

Energy: 1.000981152321617
Energy: 1.5489303383060922
Energy: 1.0348732852549822
Energy: 1.017907806542203
Energy: 1.0358548861148564
Energy: 1.030602472643486
Energy: 1.042435329741387
Energy: 1.0306024726444398
Energy: 1.3543920581252968
Energy: 1.04970589870431
Energy: 1.0305311654382805
Energy: 1.049705898703674
Energy: 1.203966711894959
Energy: 1.0546386338194367
Energy: 1.0362252495738475
Energy: 1.0546386338197546
Energy: 1.2050056305470254
Energy: 1.0333846163645155
Energy: 1.042672319549898
Energy: 1.033384616365116
Energy: 1.2005565402170437
Energy: 1.0533802269646613
Energy: 1.266307507612172
Energy: 1.0533802269646613
Energy: 1.265072061731129
Energy: 1.0520573158054343
Energy: 1.0031603385441619
Energy: 1.0520573158044806
Energy: 1.0373313708612164
Energy: 1.0345843925670333
Energy: 1.0032100656437672
Energy: 1.0345843925676692
Energy: 1.0351533938099073
Energy: 1.05144375657816
Energy: 1.266395637558218
Energy: 1.051443756578478
Energy: 1.0386050102160331
Energy: 1.0545165325413395
Energy: 1.199792695303795
Energy: 1.0545165325388666
Energy: 1.036762767777228
Energy: 1.031053288282934
Energy: 1.2049119123085228
Energy: 1.031053288282298
Energy: 1.3556952362310704
Energy: 1.1388285668346592
Energy: 1.204067808936555
Energy: 1.1388285668340585
Energy: 1.0032041991501925
Energy: 1.0503963066384236
Energy: 1.3545310363171061
Energy: 1.0503963066393422

minimum gb energy = 1.000981152321617 eV
minimum distance =  2.29770442780316 Angstroms
sigma value = 9


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

Energy: 1.7127829182619039
Energy: 1.314136061808891
Energy: 1.338106550838296
Energy: 1.3073825947843831
Energy: 1.4588965624601231
Energy: 1.2621416252691966
Energy: 1.3739463640378744
Energy: 1.2621416252657451
Energy: 1.2426335367520207
Energy: 1.2212771351099472
Energy: 1.2639404201066902
Energy: 1.2212771351099472
Energy: 1.23864361702437
Energy: 1.2207092205381058
Energy: 1.2397290300344088
Energy: 1.2207092205404066
Energy: 1.2147320580910408
Energy: 1.2202321727273557
Energy: 1.2411381693204429
Energy: 1.2202321727285061
Energy: 1.3295410943437207
Energy: 1.2631788773149912
Energy: 1.4706014321036798
Energy: 1.2631788773126902
Energy: 1.4041599550073953
Energy: 1.3806177052177449
Energy: 1.5959670382581208
Energy: 1.380617705237304
Energy: 1.4403401854663613
Energy: 1.2807385089370842
Energy: 1.589595243563072
Energy: 1.2807385088784067
Energy: 1.3921367321994012
Energy: 1.235258854205232
Energy: 1.3166923482667605
Energy: 1.2352588542041338
Energy: 1.2606554252849633
Energy: 1.267541620808083
Energy: 1.1669665573871235
Energy: 1.2675416208092334
Energy: 1.3906792331504905
Energy: 1.2299885246818656
Energy: 1.1645691875968043
Energy: 1.2299885246818656
Energy: 1.351523723105187
Energy: 1.2750403367638254
Energy: 1.2210769994988662
Energy: 1.275040336767277
Energy: 1.5961727579584337
Energy: 1.3135001923518144
Energy: 1.3122828336704337
Energy: 1.313500192348363
Energy: 1.596674990989574
Energy: 1.3116147043060897
Energy: 1.5277255828674545
Energy: 1.3116147043083908
Energy: 1.400026994283445
Energy: 1.274690177501741
Energy: 1.5102029820146023
Energy: 1.27469017749944
Energy: 1.2745470562299583
Energy: 1.30642987937813
Energy: 1.4747696165356419
Energy: 1.3064298793758289
Energy: 1.1797727923924337
Energy: 1.1832489739177057
Energy: 1.54800974472616
Energy: 1.1832489739177057
Energy: 1.198803671959078
Energy: 1.2383360577001876
Energy: 1.5395873444416326
Energy: 1.2383360577013383
Energy: 1.234475530391401
Energy: 1.28249055990175
Energy: 1.5485015232022183
Energy: 1.2824905599005996
Energy: 1.233973763791463
Energy: 1.3039835214649935
Energy: 1.5479260655869733
Energy: 1.3039835214649935
Energy: 1.493890428476769
Energy: 1.2342322405007475
Energy: 1.5121945566033903
Energy: 1.2342322404995971
Energy: 1.617982063077324
Energy: 1.2337290360157342
Energy: 1.504692468652536
Energy: 1.2337290360157342
Energy: 1.619542826542242
Energy: 1.2337974969691148
Energy: 1.2337868544980974
Energy: 1.2337974969668137
Energy: 1.5561378719678607
Energy: 1.2334853402199752
Energy: 1.2215160289630431
Energy: 1.2334853402176742
Energy: 1.5382376087624114
Energy: 1.2664439388625204
Energy: 1.1787521079686525
Energy: 1.2664439388590687
Energy: 1.3687760241667102
Energy: 1.305483531234796
Energy: 1.1800678832567306
Energy: 1.3054835312336457
Energy: 1.550634229482181
Energy: 1.269911882866047
Energy: 1.4762910831683447
Energy: 1.2699118828694984
Energy: 1.5199669407665048
Energy: 1.303431793999237
Energy: 1.607617993943215
Energy: 1.3034317940003877
Energy: 1.3145742888068628
Energy: 1.2864438325927374
Energy: 1.6185042633180513
Energy: 1.286443832589286
Energy: 1.3114044662983888
Energy: 1.2977129435427637
Energy: 1.6111861818345725
Energy: 1.297712943543914
Energy: 1.2137839616720172
Energy: 1.2265398864958748
Energy: 1.3906397943452884
Energy: 1.2265398864947241
Energy: 1.1656011048303776
Energy: 1.1665370304434945
Energy: 1.3884978924254079
Energy: 1.1665370304193332
Energy: 1.2668041519508086
Energy: 1.2684574651147482
Energy: 1.3906628956907798
Energy: 1.2684574651182001
Energy: 1.4587088849632712
Energy: 1.2629182909678616
Energy: 1.5083358860640272
Energy: 1.2629182909667112
Energy: 1.6160238715992203
Energy: 1.3886631449113551
Energy: 1.4989838755740412
Energy: 1.3886631449113551

minimum gb energy = 1.1645691875968043 eV
minimum distance =  2.24010681537264 Angstroms
sigma value = 73


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

Energy: 1.699270626831168
Energy: 1.362258251019064
Energy: 1.3636511184890712
Energy: 1.299010169391987
Energy: 1.4674431507005306
Energy: 1.3259871969180574
Energy: 1.3885069916048232
Energy: 1.3259871969165846
Energy: 1.2991273080724113
Energy: 1.2515879473556464
Energy: 1.3232527964289056
Energy: 1.2515879473534683
Energy: 1.2938646727040397
Energy: 1.2515871626852824
Energy: 1.2932129983697078
Energy: 1.2515871626790802
Energy: 1.295450012424906
Energy: 1.2510539684904862
Energy: 1.3279587276233669
Energy: 1.2510539684917725
Energy: 1.3870572611319734
Energy: 1.3299424818253647
Energy: 1.4816961197690421
Energy: 1.329942481826091
Energy: 1.3902311027225043
Energy: 1.3887065570701975
Energy: 1.598119213010381
Energy: 1.3887065570700106
Energy: 1.5624953836398363
Energy: 1.3078574813216108
Energy: 1.6384728884320179
Energy: 1.3078574813212374
Energy: 1.5077515547298281
Energy: 1.2630940594911246
Energy: 1.3979476777308635
Energy: 1.263094059491498
Energy: 1.3233969264669412
Energy: 1.320730463184165
Energy: 1.18629856733802
Energy: 1.3207304631845178
Energy: 1.5082403010313845
Energy: 1.2719107579518174
Energy: 1.1807249743900452
Energy: 1.2719107579523774
Energy: 1.5262088637155593
Energy: 1.2971993906093617
Energy: 1.2553105626165828
Energy: 1.2971993906095485
Energy: 1.4716633361529061
Energy: 1.2366878666573802
Energy: 1.236688297722207
Energy: 1.2366878666564676
Energy: 1.4713599623391442
Energy: 1.3325170558490753
Energy: 1.5396433700114476
Energy: 1.332517055849262
Energy: 1.5720380801995864
Energy: 1.3047939146811005
Energy: 1.6091279845983393
Energy: 1.3047939146847514
Energy: 1.5321730901240576
Energy: 1.3325851271920963
Energy: 1.629828378443571
Energy: 1.3325851271895448
Energy: 1.236689303670813
Energy: 1.2851386405746914
Energy: 1.6218294934648354
Energy: 1.285138640574878
Energy: 1.2552555890329071
Energy: 1.2970701007358516
Energy: 1.5932588892728405
Energy: 1.297070100736578
Energy: 1.180729076843934
Energy: 1.1841183452110302
Energy: 1.5041757265329383
Energy: 1.1841183452124824
Energy: 1.2278186978108456
Energy: 1.3211697396972075
Energy: 1.4877040445789647
Energy: 1.3211697396955688
Energy: 1.3704576536372657
Energy: 1.270240824825863
Energy: 1.5037921994911476
Energy: 1.2702408248253028
Energy: 1.6158628646277335
Energy: 1.312861706134255
Energy: 1.5851719383892242
Energy: 1.312861706135707

minimum gb energy = 1.1807249743900452 eV
minimum distance =  2.26329348082778 Angstroms
sigma value = 7


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

Energy: 2.33458072279709
Energy: 1.3777355411787513
Energy: 1.377293603712156
Energy: 1.2615291026667619
Energy: 1.5305349082650241
Energy: 1.2708707304486928
Energy: 1.3772661995370936
Energy: 1.2708707304499836
Energy: 1.4240064837859376
Energy: 1.2578447025153334
Energy: 1.3863501186378357
Energy: 1.257844702462441
Energy: 1.3376929246501186
Energy: 1.259955667826941
Energy: 1.2867880314801372
Energy: 1.2599556678256505
Energy: 1.3390883313905126
Energy: 1.258117396167653
Energy: 1.3386800925849054
Energy: 1.258117396166362
Energy: 1.3422193376615228
Energy: 1.2987993217480416
Energy: 1.560484027079922
Energy: 1.2987993217493325
Energy: 1.345646199116971
Energy: 1.3779337227850361
Energy: 1.5866493762214915
Energy: 1.3779337227837454
Energy: 1.5709066316306326
Energy: 1.2755455722664588
Energy: 1.5815776462534927
Energy: 1.2755455722664588
Energy: 1.5433625292590119
Energy: 1.2803585331784606
Energy: 1.4393843345274215
Energy: 1.2803585331255682
Energy: 1.3731044820498939
Energy: 1.2817016258141918
Energy: 1.2093318451565291
Energy: 1.281701625812901
Energy: 1.5980147493694383
Energy: 1.2969592470694529
Energy: 1.2011343979161213
Energy: 1.2969592470694529
Energy: 1.4714000781374552
Energy: 1.2834365016766727
Energy: 1.3047900802857406
Energy: 1.2834365016766727
Energy: 1.5921540058136443
Energy: 1.2051893081927938
Energy: 1.2647364097414375
Energy: 1.2051893081940848
Energy: 1.592264717484152
Energy: 1.2846728546774335
Energy: 1.431679260500424
Energy: 1.2846728546774335
Energy: 1.611804827713199
Energy: 1.2988659899688513
Energy: 1.4394788175958373
Energy: 1.298865989971433
Energy: 1.6095950088484023
Energy: 1.2787893720571002
Energy: 1.7846700615615843
Energy: 1.2787893720545187
Energy: 1.4306238515161949
Energy: 1.2739167585134406
Energy: 1.786153769477453
Energy: 1.2739167585134406
Energy: 1.3840798298074821
Energy: 1.2693013380361058
Energy: 1.4263342488543402
Energy: 1.2693013380361058
Energy: 1.2891110070010647
Energy: 1.257533240030058
Energy: 1.3393960342042568
Energy: 1.2575332400313488
Energy: 1.3389249824788376
Energy: 1.2577923914335973
Energy: 1.2852765436229525
Energy: 1.2577923914335973
Energy: 1.5297597356932557
Energy: 1.2974917789957077
Energy: 1.2987861475579108
Energy: 1.2974917789957077
Energy: 1.5813066262471744
Energy: 1.3467187666663165
Energy: 1.3450686296615857
Energy: 1.3467187666663165
Energy: 1.582987326399093
Energy: 1.4304182814471225
Energy: 1.5294490905599794
Energy: 1.4304182814458317
Energy: 1.439903907126631
Energy: 1.2978055362553635
Energy: 1.581735389690412
Energy: 1.2978055362566545
Energy: 1.3846634593495073
Energy: 1.2819451251883063
Energy: 1.3722290975065639
Energy: 1.2819451251857246
Energy: 1.2042372858965775
Energy: 1.2062077572428005
Energy: 1.3625244525840867
Energy: 1.206207757244062
Energy: 1.308631216968646
Energy: 1.2987458876935645
Energy: 1.5305865453577006
Energy: 1.2987458876948552
Energy: 1.202779991999843
Energy: 1.2061125570514266
Energy: 1.6308275555171803
Energy: 1.2061125570501359
Energy: 1.2670291706556973
Energy: 1.2821811795270484
Energy: 1.5920844776266614
Energy: 1.2821811795515732
Energy: 1.4379154153811837
Energy: 1.2981766391360225
Energy: 1.6298423524118928
Energy: 1.298176639128278
Energy: 1.7924229136928802
Energy: 1.2725099218762734
Energy: 1.6094366486843394
Energy: 1.2725099218749827

minimum gb energy = 1.2011343979161213 eV
minimum distance =  2.26465582751538 Angstroms
sigma value = 29


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

Energy: 1.6209094936715702
Energy: 1.4742288651029298
Energy: 1.3931805451180774
Energy: 1.2588583448073325
Energy: 1.3572385777643459
Energy: 1.2242812568125498
Energy: 1.3903635173079671
Energy: 1.2242812568107766
Energy: 1.3595814195404128
Energy: 1.2191720374026649
Energy: 1.2823996246224496
Energy: 1.2191720374026649
Energy: 1.2877490557956812
Energy: 1.2170745231754077
Energy: 1.111643175795062
Energy: 1.2170745231754077
Energy: 1.2908781082620058
Energy: 1.2260150145216893
Energy: 1.2768692925869125
Energy: 1.2260150145225637
Energy: 1.286287709691513
Energy: 1.2181309615172429
Energy: 1.3404434048859926
Energy: 1.2181309615176676
Energy: 1.3961418237023893
Energy: 1.3919778457833714
Energy: 1.2633411723319827
Energy: 1.3919778457833714
Energy: 1.4366388868102582
Energy: 1.2218847562881971
Energy: 1.3408454973580928
Energy: 1.2218847562899704
Energy: 1.4099208702475101
Energy: 1.2563655624594838
Energy: 1.4368351229316394
Energy: 1.2563655624590344

minimum gb energy = 1.111643175795062 eV
minimum distance =  2.25511221346607 Angstroms
sigma value = 5


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

Energy: 1.6914821930599953
Energy: 1.6608452769594095
Energy: 1.7359369625231413
Energy: 1.5691191871525423
Energy: 1.2164332714946575
Energy: 1.2502918601897157
Energy: 1.5054412174918543
Energy: 1.2502918601897157
Energy: 1.1881713625273376
Energy: 1.1961751487887684
Energy: 1.4915125789639643
Energy: 1.1961751487936456
Energy: 1.186496423184166
Energy: 1.249872105415112
Energy: 1.4213947199276258
Energy: 1.2498721054090156
Energy: 1.2307553889731855
Energy: 1.2080190332027416
Energy: 1.442553766329845
Energy: 1.208019033223414
Energy: 1.212727710819813
Energy: 1.2292178578534128
Energy: 1.4012920903097275
Energy: 1.2292178578521935
Energy: 1.204348526972479
Energy: 1.283727259617024
Energy: 1.3619740841812162
Energy: 1.2837272596182434
Energy: 1.2052676241238058
Energy: 1.2293623683984172
Energy: 1.3585309183715975
Energy: 1.229362368397198
Energy: 1.5298194725612528
Energy: 1.2795682225839906
Energy: 1.4013718815815357
Energy: 1.2795682225839906
Energy: 1.484769398897218
Energy: 1.4300859354475648
Energy: 1.491523726006605
Energy: 1.430085935445126
Energy: 1.5298668978681056
Energy: 1.259490056391451
Energy: 1.5594305907171497
Energy: 1.2594900563999858
Energy: 1.4161716094816186
Energy: 1.2307059576399861
Energy: 1.5493659058437257
Energy: 1.2307059576399861
Energy: 1.3455219572198893
Energy: 1.3388401112476527
Energy: 1.5548874695274568
Energy: 1.3388401113804997
Energy: 1.3967306805240696
Energy: 1.32125778856173
Energy: 1.2069132488028043
Energy: 1.32125778856173
Energy: 1.365125787639166
Energy: 1.2870406474226597
Energy: 1.2054203212622447
Energy: 1.2870406474226597
Energy: 1.3609131864876154
Energy: 1.2299978777166463
Energy: 1.205365790627132
Energy: 1.2299978777166463
Energy: 1.443191003531915
Energy: 1.3149314825573104
Energy: 1.2547754751845996
Energy: 1.3149314825585299
Energy: 1.4927880221112868
Energy: 1.199864341133447
Energy: 1.1888644040748348
Energy: 1.199864341133447
Energy: 1.4971405992879945
Energy: 1.334715360658361
Energy: 1.187210247904234
Energy: 1.33471536065958
Energy: 1.5107581289307002
Energy: 1.1955984446873051
Energy: 1.1904163330943933
Energy: 1.1955984446836474
Energy: 1.5180757711739736
Energy: 1.2585545173427402
Energy: 1.6184109702484755
Energy: 1.258554517341521
Energy: 1.6368702273956248
Energy: 1.439081987466851
Energy: 1.6215721340553435
Energy: 1.439081987465632
Energy: 1.5859520530955917
Energy: 1.212630149547621
Energy: 1.2864951228843822
Energy: 1.2126301495464016
Energy: 1.5543105713626366
Energy: 1.235641887533057
Energy: 1.2872273083011614
Energy: 1.2356418875318378
Energy: 1.5537073927094618
Energy: 1.198877695627311
Energy: 1.232200170387366
Energy: 1.1988776956321883
Energy: 1.367523325942949
Energy: 1.2593852590401995
Energy: 1.3097321887913562
Energy: 1.2593852590414187
Energy: 1.2541859423545019
Energy: 1.2548066129947442
Energy: 1.2620877365125274
Energy: 1.2548066129923057
Energy: 1.2602642356339553
Energy: 1.2514837370223983
Energy: 1.25561373106699
Energy: 1.251483737021179
Energy: 1.2905982587766578
Energy: 1.281383436168915
Energy: 1.330863680374067
Energy: 1.2813834361676955
Energy: 1.2521488990231877
Energy: 1.2328990162551539
Energy: 1.4853972755769627
Energy: 1.2328990162539346
Energy: 1.2974293804981032
Energy: 1.2356419975969077
Energy: 1.4871520708550838
Energy: 1.2356419975956883
Energy: 1.216245777836342
Energy: 1.2090359671752837
Energy: 1.5818606339554464
Energy: 1.2090359671777222
Energy: 1.686724415908909
Energy: 1.439432696979847
Energy: 1.577509096885608
Energy: 1.4394326969835047

minimum gb energy = 1.186496423184166 eV
minimum distance =  2.2271178732645 Angstroms
sigma value = 1


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

Energy: 2.1786256260947154
Energy: 1.6128710874492935
Energy: 1.5227902968463571
Energy: 1.4193688385224648
Energy: 1.223909725117782
Energy: 1.3232528252313371
Energy: 1.3349576795193858
Energy: 1.323252825233023
Energy: 1.2241626097967777
Energy: 1.2347122813751021
Energy: 1.4180962117916338
Energy: 1.2347122813767877
Energy: 1.220444470007443
Energy: 1.2345359579594068
Energy: 1.2825655347335774
Energy: 1.2345359579594068
Energy: 1.283454004150338
Energy: 1.2346079171241624
Energy: 1.2564567825237467
Energy: 1.2346079171258482
Energy: 1.247958036730218
Energy: 1.2328041744395952
Energy: 1.4360794602030122
Energy: 1.2328041744395952
Energy: 1.2273105070764476
Energy: 1.3307572773110243
Energy: 1.4630546102270798
Energy: 1.3307572773110243
Energy: 1.2841476385006827
Energy: 1.232085139397084
Energy: 1.456196794520538
Energy: 1.232085139397084
Energy: 1.3387721557400112
Energy: 1.3083818986503255
Energy: 1.4281424831510403
Energy: 1.3083818986503255
Energy: 1.458111375988067
Energy: 1.6797811312543598
Energy: 1.7262210323748692
Energy: 1.6797811312543598
Energy: 1.1519339676678066
Energy: 1.4270394528252475
Energy: 1.5242694236130863
Energy: 1.4270394528252475
Energy: 1.1525038108494865
Energy: 1.1155565738016415
Energy: 1.550497288332302
Energy: 1.1155565738016415
Energy: 1.149135619188525
Energy: 1.1165094393456503
Energy: 1.5461518328002355
Energy: 1.1165094393473358
Energy: 1.1518474235657343
Energy: 1.115833701117842
Energy: 1.4666237754333586
Energy: 1.115833701119528
Energy: 1.2824728347107215
Energy: 1.321557014338603
Energy: 1.3658135698732299
Energy: 1.321557014338603
Energy: 1.2827570200397231
Energy: 1.1819106179869414
Energy: 1.3325996605368595
Energy: 1.1819106179852938
Energy: 1.4275158547485953
Energy: 1.1884231738710072
Energy: 1.2799160496322457
Energy: 1.1884231738710072
Energy: 1.437698425461697
Energy: 1.2437801794847574
Energy: 1.2452632061183138
Energy: 1.2437801794830712
Energy: 1.4473829427679246
Energy: 1.3211273871747122
Energy: 1.2666449296060753
Energy: 1.3211273871747122
Energy: 1.4652973318722267
Energy: 1.2596491173837698
Energy: 1.2972584405423366
Energy: 1.259649117382084
Energy: 1.4021879924799279
Energy: 1.235713130147323
Energy: 1.4581380432165494
Energy: 1.235713130147323
Energy: 1.4316468497246455
Energy: 1.2350426348978383
Energy: 1.4591312067994673
Energy: 1.2350426348978383
Energy: 1.439231941445917
Energy: 1.2953497144229165
Energy: 1.3636839085398675
Energy: 1.2953497144229165
Energy: 1.3960195265413384
Energy: 1.388014838764471
Energy: 1.4409163984254543
Energy: 1.388014838764471

minimum gb energy = 1.1155565738016415 eV
minimum distance =  2.22901589060668 Angstroms
sigma value = 17


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

Energy: 1.7830422128010603
Energy: 1.6821391532862036
Energy: 1.7265948578305657
Energy: 1.55317222595411
Energy: 1.158741515591162
Energy: 1.2024007767867746
Energy: 1.452847783737456
Energy: 1.2024007767919844
Energy: 1.1662374466720764
Energy: 1.1613061238622562
Energy: 1.4647391519236228
Energy: 1.161306123865382
Energy: 1.1585393914815678
Energy: 1.1624572483321198
Energy: 1.4711886487336283
Energy: 1.1624572483352458
Energy: 1.163698642761948
Energy: 1.2327244338496388
Energy: 1.3133526096493857
Energy: 1.2327244338517227
Energy: 1.2210832568541725
Energy: 1.204686043377847
Energy: 1.250689016824128
Energy: 1.204686043378889
Energy: 1.2298822119994477
Energy: 1.2058786372891706
Energy: 1.2214909519888009
Energy: 1.2058786372870867
Energy: 1.2869304007260889
Energy: 1.207902951312287
Energy: 1.2184964280925907
Energy: 1.2079029513112451
Energy: 1.45187903609065
Energy: 1.1624365989586936
Energy: 1.1560467382326545
Energy: 1.1624365989513996
Energy: 1.4056290001627123
Energy: 1.1643323345777286
Energy: 1.1664739303012555
Energy: 1.1643323343382104
Energy: 1.5009835575657298
Energy: 1.1625181308450319
Energy: 1.1629977527229725
Energy: 1.1625181308471157
Energy: 1.4687322305407555
Energy: 1.199809435554439
Energy: 1.5044399119853016
Energy: 1.1998094355596491
Energy: 1.6700185881402307
Energy: 1.197526535812727
Energy: 1.5152236942577517
Energy: 1.197526535810643
Energy: 1.366732986062902
Energy: 1.2783366371441853
Energy: 1.1606815481392083
Energy: 1.2783366371441853
Energy: 1.4572867041163862
Energy: 1.164118350976535
Energy: 1.2966385147752042
Energy: 1.1641183509775772
Energy: 1.6023217158505276
Energy: 1.1619816685962732
Energy: 1.2508828167060426
Energy: 1.1619816686025255
Energy: 1.1984156321907329
Energy: 1.1977171347218731
Energy: 1.3378349492243193
Energy: 1.1977171347229152
Energy: 1.1992959100476535
Energy: 1.2277739577478641
Energy: 1.3058793122716537
Energy: 1.2277739577478641
Energy: 1.1954940313184044
Energy: 1.1986375147573531
Energy: 1.2952113274749777
Energy: 1.198637514760479
Energy: 1.234264244764224
Energy: 1.2789496802270863
Energy: 1.424223985765204
Energy: 1.278949680221876
Energy: 1.1731404391793807
Energy: 1.1797306505602814
Energy: 1.4071994234799738
Energy: 1.1797306505623653
Energy: 1.175920305616681
Energy: 1.18094621453971
Energy: 1.4043819401646087
Energy: 1.1809462145345
Energy: 1.1773300954547588
Energy: 1.3101805226564662
Energy: 1.309720509214388
Energy: 1.3101805226585501
Energy: 1.5157546793815795
Energy: 1.2630456914693005
Energy: 1.3850871633984774
Energy: 1.2630456914672166
Energy: 1.5094088766901181
Energy: 1.1809328550358313
Energy: 1.3161085977230702
Energy: 1.1809328550368734
Energy: 1.3113155744323814
Energy: 1.1872893882038154
Energy: 1.3782987580232104
Energy: 1.1872893882006892
Energy: 1.487845276982386
Energy: 1.4671469031910593
Energy: 1.582443348394536
Energy: 1.4671469031941855
Energy: 1.3275245457710179
Energy: 1.1808516151698318
Energy: 1.427039501723164
Energy: 1.180851615171916
Energy: 1.405276609519239
Energy: 1.1810436331241236
Energy: 1.1792666092472617
Energy: 1.1810436331230818
Energy: 1.3610193088313467
Energy: 1.182077252816863
Energy: 1.1761541330789695
Energy: 1.182077252814779
Energy: 1.3999550818557456
Energy: 1.1827761145460571
Energy: 1.1772494372337818
Energy: 1.1827761145491833
Energy: 1.3389971767768063
Energy: 1.2029010098761765
Energy: 1.1876482074135863
Energy: 1.2029010098761765
Energy: 1.3018148000510248
Energy: 1.2018984162570516
Energy: 1.1948846990174065
Energy: 1.2018984162570516
Energy: 1.2938405462030818
Energy: 1.1971809209425905
Energy: 1.1918900008915996
Energy: 1.1971809209457165
Energy: 1.249717553036589
Energy: 1.1626968024969835
Energy: 1.2799293615804181
Energy: 1.1626968025032356
Energy: 1.2685471372324
Energy: 1.2693751908182558
Energy: 1.5231593450637073
Energy: 1.2693751908151298
Energy: 1.3023652626716704
Energy: 1.1619560290629756
Energy: 1.4531007746893845
Energy: 1.1619560290640176
Energy: 1.4275685274764303
Energy: 1.2010394386559071
Energy: 1.4925715676019584
Energy: 1.201039438654865

minimum gb energy = 1.1560467382326545 eV
minimum distance =  2.23648005875004 Angstroms
sigma value = 89


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

Energy: 2.078031746450309
Energy: 1.3668256030982853
Energy: 1.370518231492406
Energy: 1.2396569267089423
Energy: 1.127583741264994
Energy: 1.1330109138699256
Energy: 1.1266591679617866
Energy: 1.1330109138693678
Energy: 1.1282768638183527
Energy: 1.1314474475194207
Energy: 1.2314478848882884
Energy: 1.1314474475196994
Energy: 1.1245451123696584
Energy: 1.1316656962432934
Energy: 1.2318050795816862
Energy: 1.1316656962427358
Energy: 1.12375067966396
Energy: 1.1549851645973848
Energy: 1.2493061778544772
Energy: 1.1549851645963005
Energy: 1.182753286296173
Energy: 1.1394611014277674
Energy: 1.2409319293368901
Energy: 1.139461101426931
Energy: 1.1875120914914286
Energy: 1.138200843107308
Energy: 1.183921973277794
Energy: 1.1382008431070605
Energy: 1.2488950796404095
Energy: 1.1463330208923206
Energy: 1.1828455073906778
Energy: 1.1463330208925995
Energy: 1.2986891329253831
Energy: 1.132063385254701
Energy: 1.1210888422634744
Energy: 1.1320633852557855
Energy: 1.2999434049143277
Energy: 1.1317746441958287
Energy: 1.122802720157851
Energy: 1.1317746441982763
Energy: 1.301185307472947
Energy: 1.1329703242823685
Energy: 1.1284794134634448
Energy: 1.1329703242826474
Energy: 1.390794229008413
Energy: 1.1306483538541166
Energy: 1.3899084179298795
Energy: 1.1306483538538379
Energy: 1.4129589704896046
Energy: 1.1312279435363328
Energy: 1.3891530837519819
Energy: 1.1312279435354962
Energy: 1.12775030752856
Energy: 1.2250673556710836
Energy: 1.1280331019528502
Energy: 1.225067355672447
Energy: 1.1303502339842382
Energy: 1.1316068583475625
Energy: 1.127368356023132
Energy: 1.1316068583475625

minimum gb energy = 1.1210888422634744 eV
minimum distance =  2.25501099108394 Angstroms
sigma value = 13


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

Energy: 1.3004446902964275
Energy: 1.3975204545272564
Energy: 1.3653833686145975
Energy: 1.1907602522280774
Energy: 1.0967341550386036
Energy: 1.102095232889477
Energy: 1.0978150755928604
Energy: 1.1020952328917626
Energy: 1.0976771156461698
Energy: 1.09921113243959
Energy: 1.271355505024069
Energy: 1.0992111324384473
Energy: 1.0935216528113734
Energy: 1.0986947817936858
Energy: 1.2675156675035004
Energy: 1.0986947817936858
Energy: 1.1011202137755827
Energy: 1.194007607805698
Energy: 1.17472329668905
Energy: 1.194007607806841
Energy: 1.205028157983343
Energy: 1.0831566018675713
Energy: 1.1275647730717402
Energy: 1.0831566018675713
Energy: 1.2025459369715579
Energy: 1.082108014976619
Energy: 1.1147379938091069
Energy: 1.0821080149777615
Energy: 1.2448465470226913
Energy: 1.0842405261172106
Energy: 1.119914353922395
Energy: 1.0842405261172106
Energy: 1.2007460014830973
Energy: 1.085276884463609
Energy: 1.1187526789413231
Energy: 1.085276884463609
Energy: 1.2032384383128856
Energy: 1.0846421426190558
Energy: 1.1122186627991562
Energy: 1.084642142621341
Energy: 1.1898102529254744
Energy: 1.0893183189808908
Energy: 1.1787946875789832
Energy: 1.0893183189831763
Energy: 1.0990142674192829
Energy: 1.0996047220941605
Energy: 1.2033998094259672
Energy: 1.0996047220941605
Energy: 1.097608882524946
Energy: 1.0982342182365639
Energy: 1.2014687961373665
Energy: 1.0982342182365639
Energy: 1.0973106500414944
Energy: 1.247374979986804
Energy: 1.2040743080518568
Energy: 1.2473749797674498
Energy: 1.4009125785007548
Energy: 1.1005790659305277
Energy: 1.0964658684273243
Energy: 1.1005790659762371
Energy: 1.40055783009177
Energy: 1.0985294696282843
Energy: 1.096103643563657
Energy: 1.0985294696282843
Energy: 1.0978021644867482
Energy: 1.1033387543446416
Energy: 1.0978533367065715
Energy: 1.103338754346927
Energy: 1.1003589008499202
Energy: 1.0992293544750908
Energy: 1.2665235573055404
Energy: 1.0992293544739482
Energy: 1.097283197828278
Energy: 1.0998590159852641
Energy: 1.0907903963247754
Energy: 1.0998590159852641
Energy: 1.2010449823400462
Energy: 1.101942716739935
Energy: 1.1013191653037953
Energy: 1.1019427167387923
Energy: 1.268182586110803
Energy: 1.147499809169597
Energy: 1.0955846560308644
Energy: 1.1474998091707398
Energy: 1.1750767116091232
Energy: 1.1944542234695192
Energy: 1.1020390438285417
Energy: 1.1944542234718047
Energy: 1.1765354677787947
Energy: 1.0839636281622438
Energy: 1.2010420316008328
Energy: 1.0839636281622438
Energy: 1.1172498953364842
Energy: 1.0840448342700795
Energy: 1.1312233653392907
Energy: 1.0840448342689366
Energy: 1.1174354835133624
Energy: 1.0934785593442444
Energy: 1.1949201780744996
Energy: 1.0934785593442444
Energy: 1.1164463246385559
Energy: 1.088954209694217
Energy: 1.254121190368186
Energy: 1.0889542096919316
Energy: 1.1138022873869045
Energy: 1.085724511936302
Energy: 1.2038431010987432
Energy: 1.085724511936302
Energy: 1.1769169180263015
Energy: 1.086544523051071
Energy: 1.1997891125977733
Energy: 1.0865445230499284
Energy: 1.1766755366736823
Energy: 1.1004956715225438
Energy: 1.09998060330659
Energy: 1.1004956715270628
Energy: 1.1996110082803229
Energy: 1.0992282981032133
Energy: 1.099697958095169
Energy: 1.0992282981032133
Energy: 1.2004879382056721
Energy: 1.1036863169423283
Energy: 1.0969060224380145
Energy: 1.1036863169411855
Energy: 1.0999615175309514
Energy: 1.0987165538645913
Energy: 1.1995276314192633
Energy: 1.0987165538645913
Energy: 1.0968779359374492
Energy: 1.1069657786616949
Energy: 1.3993818170547836
Energy: 1.1069657785018152
Energy: 1.09569075199337
Energy: 1.1074671113184795
Energy: 1.0966984811315352
Energy: 1.1074671113401915
Energy: 1.0906641790101754
Energy: 1.098717178262515
Energy: 1.097479275647129
Energy: 1.0987171782613723

minimum gb energy = 1.082108014976619 eV
minimum distance =  2.26155477286055 Angstroms
sigma value = 37


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

Energy: 1.3186278123581212
Energy: 1.3346023857482885
Energy: 1.2984553082236312
Energy: 1.1306276689402739
Energy: 1.0546959791695774
Energy: 1.0592309971685612
Energy: 1.055655973885198
Energy: 1.0592309971695442
Energy: 1.0552976322840395
Energy: 1.0609063781808306
Energy: 1.2667850792603488
Energy: 1.0609063781810317
Energy: 1.0529169687545192
Energy: 1.0602845796209492
Energy: 1.2669707061194535
Energy: 1.0602845796215525
Energy: 1.1725813750700091
Energy: 1.1143573327908798
Energy: 1.112157135591911
Energy: 1.1143573327932255
Energy: 1.2009400331840923
Energy: 1.027836552463415
Energy: 1.0601235189000506
Energy: 1.027836552463035
Energy: 1.1271910965012135
Energy: 1.0274115282765384
Energy: 1.0569792235399573
Energy: 1.0274115282749745
Energy: 1.1749837819623286
Energy: 1.0136415176513764
Energy: 1.0654951540971238
Energy: 1.013641517650215
Energy: 1.1015190926197655
Energy: 1.0070414946939812
Energy: 1.0999343099347392
Energy: 1.0070414946941821
Energy: 1.100092052307955
Energy: 1.0062535657474614
Energy: 1.1017900695737555
Energy: 1.0062535657470817
Energy: 1.154322606948098
Energy: 1.1013247168172589
Energy: 1.1752008412791544
Energy: 1.1013247168152926
Energy: 1.0573501915545849
Energy: 1.027293876552446
Energy: 1.2019119862708332
Energy: 1.027293876553027
Energy: 1.0595379059634245
Energy: 1.02747680411884
Energy: 1.2015779545409342
Energy: 1.0274768041194433
Energy: 1.1126413224873357
Energy: 1.0488879567939111
Energy: 1.1719769309445707
Energy: 1.0488879567125435
Energy: 1.1946111237482084
Energy: 1.059793933805199
Energy: 1.054156005768102
Energy: 1.059793933805802
Energy: 1.1867655443253884
Energy: 1.0603085301340136
Energy: 1.0551093200701789
Energy: 1.0603085301338127
Energy: 1.184900958367731
Energy: 1.1129707891537206
Energy: 1.0549360888224655
Energy: 1.1129707891552842
Energy: 1.0556869141690168
Energy: 1.0550650501825052
Energy: 1.1792229672128705
Energy: 1.0550650501819245
Energy: 1.055226416776361
Energy: 1.0607629236708556
Energy: 1.1795762703615127
Energy: 1.0607629236702747
Energy: 1.0546834119079758
Energy: 1.0592770776892513
Energy: 1.055237465122812
Energy: 1.0592770776878662

minimum gb energy = 1.0062535657470817 eV
minimum distance =  2.26059790778732 Angstroms
sigma value = 25


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

Energy: 1.3046857489459869
Energy: 1.2001995306079443
Energy: 1.177418689582151
Energy: 1.0406558282476106
Energy: 0.9836765395061723
Energy: 0.9816312312796367
Energy: 1.0214953361482546
Energy: 0.9816312312796367
Energy: 0.9839450370741728
Energy: 0.9890741641695963
Energy: 1.0602019982442692
Energy: 0.9890741641680612
Energy: 0.9835249326864538
Energy: 0.9885310394137152
Energy: 1.124326192562345
Energy: 0.9885310394137152
Energy: 1.019211206866219
Energy: 0.980827314884909
Energy: 1.0220179408269028
Energy: 0.9808273149002612
Energy: 1.1259666367180603
Energy: 0.9519195990379029
Energy: 0.9737491289761788
Energy: 0.9519195990363676
Energy: 1.126064324735557
Energy: 0.9523422987037092
Energy: 0.9727380425841348
Energy: 0.9523422987037092
Energy: 1.0573616809879312
Energy: 1.0615931106178202
Energy: 1.0715311726461596
Energy: 1.0615931106193555
Energy: 0.990571854991649
Energy: 0.9177867318223797
Energy: 1.0910604869290497
Energy: 0.9177867318223797
Energy: 0.9909495018465121
Energy: 0.9172961260684158
Energy: 1.0908015987068063
Energy: 0.9172961260684158
Energy: 1.026214160531849
Energy: 1.0431559378859034
Energy: 1.0640846006820337
Energy: 1.0431559332899365
Energy: 1.0300367358552802
Energy: 0.9068183042571628
Energy: 1.0323861957644533
Energy: 0.9068183042571628
Energy: 1.0309010020589184
Energy: 0.9092208365205547
Energy: 1.0294681579527707
Energy: 0.9092208365205547
Energy: 1.064261556838221
Energy: 0.9604179630984506
Energy: 1.0094735112312851
Energy: 0.9604179630907744
Energy: 1.0915109612882217
Energy: 0.9187387543475238
Energy: 0.9872541127287086
Energy: 0.9187387543490589
Energy: 1.091101038697459
Energy: 0.9167774679843053
Energy: 0.9900441637572479
Energy: 0.9167774679843053
Energy: 0.9891788816216746
Energy: 0.957100074705798
Energy: 1.0576886578303972
Energy: 0.957100074705798
Energy: 0.9714552972216991
Energy: 0.9518791220937146
Energy: 1.0885955868664716
Energy: 0.9518791220952499
Energy: 0.9738216136702417
Energy: 0.9525948527732957
Energy: 1.1806287558062873
Energy: 0.9525948527732957
Energy: 1.0216078519165106
Energy: 0.9863473310233734
Energy: 1.1007107982090019
Energy: 0.9863473310233734
Energy: 1.1783823219306635
Energy: 1.0115643980238749
Energy: 0.983787467853495
Energy: 1.0115643980238749
Energy: 1.0216947706120634
Energy: 0.9895884564640445
Energy: 0.9837475274737083
Energy: 0.989588456467115
Energy: 1.0214819605179304
Energy: 0.9892785591342912
Energy: 1.0181188109065868
Energy: 0.9892785591373617
Energy: 0.9868597072872738
Energy: 0.9896510390956043
Energy: 1.186634685049906
Energy: 0.9896510390971396
Energy: 0.9841883133953334
Energy: 0.986707024923359
Energy: 0.9842982011982823
Energy: 0.9867070249218239
Energy: 1.2254438521773026
Energy: 0.9885548417628882
Energy: 0.9839311900575171
Energy: 0.9885548417613531

minimum gb energy = 0.9068183042571628 eV
minimum distance =  2.27150096173155 Angstroms
sigma value = 41


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

Energy: 1.2486935515545976
Energy: 1.0947281967826448
Energy: 1.075487575015986
Energy: 0.9670698920199899
Energy: 0.9239839005553446
Energy: 0.9129720102216308
Energy: 0.9042698721327846
Energy: 0.9129720102203722
Energy: 0.9191237764911322
Energy: 0.9228380709608044
Energy: 0.9448627454799317
Energy: 0.9228380709608044
Energy: 0.9191622054023989
Energy: 0.9224901447940713
Energy: 0.9525263171288647
Energy: 0.9224901447928127
Energy: 0.9514056929436209
Energy: 0.9131031568848171
Energy: 0.9490036415173823
Energy: 0.9131031568999206
Energy: 0.9058632284652353
Energy: 0.8910180463995655
Energy: 0.9038484246931887
Energy: 0.891018046398307
Energy: 0.9090153205569351
Energy: 0.8908123754997899
Energy: 0.9041982071460427
Energy: 0.8908123754985313
Energy: 0.9760019031935879
Energy: 0.9302207107102077
Energy: 0.9315269966140464
Energy: 0.9302207107076904
Energy: 0.909824331229221
Energy: 0.8552319688042895
Energy: 1.0423207495521825
Energy: 0.8552319688080655
Energy: 0.906113627088757
Energy: 0.855327281847516
Energy: 1.043613762763794
Energy: 0.855327281847516
Energy: 0.944168199122551
Energy: 0.9955241097337557
Energy: 0.9830191520405418
Energy: 0.995524116331068
Energy: 1.0178319990628586
Energy: 0.8367740464620105
Energy: 0.9286833086014842
Energy: 0.8367740464620105
Energy: 0.9950822108545746
Energy: 0.8395861621021578
Energy: 0.9352981637231513
Energy: 0.8395861621059337
Energy: 0.9849859394114423
Energy: 0.8300327971652026
Energy: 0.965594867001561
Energy: 0.8300327971664613
Energy: 0.9686611154290788
Energy: 0.8304396206692942
Energy: 0.9662183676210059
Energy: 0.8304396206730702
Energy: 0.9707512471500132
Energy: 0.8359429202137959
Energy: 0.968393988294083
Energy: 0.8359429202137959
Energy: 0.9444402583227375
Energy: 0.8387662805420226
Energy: 0.9846293938328072
Energy: 0.8387662805407639
Energy: 0.9334329528440996
Energy: 0.8372022460683195
Energy: 1.0165548371590138
Energy: 0.8372022460670608
Energy: 0.9508355459432014
Energy: 0.8379168443238005
Energy: 1.0184618334143432
Energy: 0.8379168443250592
Energy: 0.9789547649580363
Energy: 0.8558828021245358
Energy: 0.9347018582607893
Energy: 0.8558828021257945
Energy: 0.9310822683201684
Energy: 0.8557583663997882
Energy: 0.9071524520245252
Energy: 0.8557583663997882
Energy: 0.9287565347898442
Energy: 0.8582147322772081
Energy: 0.9382240754293087
Energy: 0.8582147322772081
Energy: 0.9147865779003874
Energy: 0.8905596349940037
Energy: 0.9763368007516564
Energy: 0.8905596349952625
Energy: 0.9062358984180858
Energy: 0.8907171422988224
Energy: 1.0163106678632121
Energy: 0.8907171422975637
Energy: 0.9484092896265891
Energy: 0.8929433592310249
Energy: 0.9085934059331298
Energy: 0.8929433592285075
Energy: 0.9038894170752079
Energy: 0.9229115412238882
Energy: 0.9210924365622118
Energy: 0.9229115412238882
Energy: 0.9042040417203375
Energy: 0.9235922577778531
Energy: 0.9256530965712078
Energy: 0.9235922577778531
Energy: 0.9485763890591976
Energy: 1.0133990109027788
Energy: 0.9210252165178554
Energy: 1.0133989694618817
Energy: 0.9230032413089592
Energy: 0.9229267439831021
Energy: 0.925431800479047
Energy: 0.9229267439818436
Energy: 0.9185586021212228
Energy: 0.9238244680321275
Energy: 0.9255593094567073
Energy: 0.9238244680321275
Energy: 0.9213372591568953
Energy: 0.9150826247999717
Energy: 0.922037348314953
Energy: 0.9150826248024889
Energy: 0.896616615398
Energy: 0.9225847780583454
Energy: 0.9229937226223477
Energy: 0.9225847780570866

minimum gb energy = 0.8300327971652026 eV
minimum distance =  2.26440788575819 Angstroms
sigma value = 15


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

Energy: 1.0323364865772424
Energy: 0.9950635473607994
Energy: 1.034736178659225
Energy: 0.9471141253028051
Energy: 0.8618523547662991
Energy: 0.8562372711557112
Energy: 0.8491857784136713
Energy: 0.8562372711610425
Energy: 0.8629694613887077
Energy: 0.8671310960819909
Energy: 0.8434679305061484
Energy: 0.8671310960798585
Energy: 0.8688908559315596
Energy: 0.8661111044012423
Energy: 0.8909815878880556
Energy: 0.8661111044055073
Energy: 0.8736071334310874
Energy: 0.8578027231027372
Energy: 0.8505962647830796
Energy: 0.8578027252630301
Energy: 0.8917646061009746
Energy: 0.8374272598523987
Energy: 0.8476503104048997
Energy: 0.8374272598523987
Energy: 0.878773802761431
Energy: 0.8378413196006775
Energy: 0.8519429300238239
Energy: 0.8378413196006775
Energy: 0.8746176578478337
Energy: 0.8966683010662448
Energy: 0.8700267814007899
Energy: 0.8966683010673111
Energy: 0.8505001510676627
Energy: 0.8059164134805672
Energy: 0.8711058971860653
Energy: 0.8059164134826996
Energy: 0.8548160021270652
Energy: 0.8053497839815124
Energy: 0.9650468499835193
Energy: 0.8053497839815124
Energy: 0.8780748493207168
Energy: 0.8778277816192709
Energy: 0.9029295348138504
Energy: 0.8778277815723565
Energy: 0.9775793474275165
Energy: 0.7849781438861748
Energy: 0.8574315106591527
Energy: 0.7849781438883072
Energy: 0.9496685219544846
Energy: 0.7872798906103936
Energy: 0.8647800498373813
Energy: 0.7872798906071949
Energy: 0.9169732328826412
Energy: 0.7735801222513037
Energy: 0.8889349203694814
Energy: 0.7735801222491712
Energy: 0.8833015018656779
Energy: 0.7744653762163114
Energy: 0.954862152835577
Energy: 0.7744653762184441
Energy: 0.8867413868890797
Energy: 0.7769214838433541
Energy: 0.91519180475333
Energy: 0.7769214838390892
Energy: 0.9193348105231496
Energy: 0.7792648273660795
Energy: 0.9155801189505189
Energy: 0.779264827365013
Energy: 0.9128861733731761
Energy: 0.7697032290302543
Energy: 0.9202308652685764
Energy: 0.769703229029188
Energy: 0.9160741233689653
Energy: 0.777654809203935
Energy: 0.9188880287834366
Energy: 0.777654809203935
Energy: 0.915990367201159
Energy: 0.7783565514214348
Energy: 0.8917651124117274
Energy: 0.7783565514278322
Energy: 0.9565890829386432
Energy: 0.7740136428613
Energy: 0.8843296090204553
Energy: 0.7740136428623662
Energy: 0.9557972215602024
Energy: 0.7741617683065944
Energy: 0.91580676745353
Energy: 0.7741617683044618
Energy: 0.8736061186003876
Energy: 0.7856482754297257
Energy: 0.909842678967156
Energy: 0.7856482754307919
Energy: 0.8574897149357088
Energy: 0.7847128639609098
Energy: 0.9407592335429044
Energy: 0.7847128639609098
Energy: 0.9029921134977078
Energy: 0.9159661984631933
Energy: 0.8785782225041969
Energy: 0.9159661984738557
Energy: 0.9034617806958862
Energy: 0.8061371110327166
Energy: 0.8514272417729699
Energy: 0.8061371110305842
Energy: 0.9413207202914278
Energy: 0.8056763363716767
Energy: 0.8497882230185544
Energy: 0.805676336372743
Energy: 0.8738933443867088
Energy: 0.8951531698350655
Energy: 0.8770488141030038
Energy: 0.8951531698339993
Energy: 0.8476923090431971
Energy: 0.8375609458011987
Energy: 0.883529099776302
Energy: 0.8375609458043974
Energy: 0.855074450238303
Energy: 0.8374763387586737
Energy: 0.882427593813626
Energy: 0.8374763387586737
Energy: 0.8480042242973952
Energy: 0.8801979791351727
Energy: 0.8939951688951493
Energy: 0.8801979794495671
Energy: 0.8897427567632018
Energy: 0.8658743612895902
Energy: 0.8614363394441911
Energy: 0.8658743612917226
Energy: 0.867509810574737
Energy: 0.8662889161820676
Energy: 0.8740633872925783
Energy: 0.866288916183134
Energy: 0.8486159272798018
Energy: 0.8556972000688405
Energy: 0.8685697282683175
Energy: 0.8556972000677744
Energy: 0.9948415119301119
Energy: 0.8683851842456494
Energy: 0.8660465479359728
Energy: 0.868385184239252
Energy: 0.8627383461469774
Energy: 0.8690900597707019
Energy: 0.848558414449177
Energy: 0.8690900597707019
Energy: 0.8404748804177962
Energy: 0.8678559390869776
Energy: 0.8626054890958141
Energy: 0.8678559390923087

minimum gb energy = 0.769703229029188 eV
minimum distance =  2.26429068548784 Angstroms
sigma value = 85


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

Energy: 1.1068894440598172
Energy: 0.8949504557887505
Energy: 0.8819397877782558
Energy: 0.7829824852544227
Energy: 0.76213187672051
Energy: 0.7599711749872755
Energy: 0.7903187892767671
Energy: 0.7599711749909746
Energy: 0.7618362031317564
Energy: 0.7636768157612482
Energy: 0.7941193556128009
Energy: 0.7636768157612482
Energy: 0.7622993576853054
Energy: 0.7634433848911008
Energy: 0.7708744608654792
Energy: 0.763443384890176
Energy: 0.7898401909906503
Energy: 0.789030443460125
Energy: 0.7905151472146902
Energy: 0.7890304434628992
Energy: 0.7487120510426116
Energy: 0.7454326531193144
Energy: 0.7579780968461635
Energy: 0.745432653120239
Energy: 0.7476398861078886
Energy: 0.7457209483052394
Energy: 0.7581387519075277
Energy: 0.7457209483061641
Energy: 0.8182755147518492
Energy: 0.791117462361555
Energy: 0.7588706205765403
Energy: 0.7911174624003736
Energy: 0.7642043907918823
Energy: 0.7252437736099187
Energy: 0.7571578227988096
Energy: 0.7252437736099187
Energy: 0.7641224796103162
Energy: 0.7248343599725242
Energy: 0.7534326768425945
Energy: 0.7248343599734489
Energy: 0.7854442851257035
Energy: 0.8218314453780313
Energy: 0.8183377120872954
Energy: 0.8218314453780313
Energy: 0.9406464734119385
Energy: 0.713464854832382
Energy: 0.7806847818193027
Energy: 0.7134648548333067
Energy: 0.8310553573957729
Energy: 0.7148113345705653
Energy: 0.7956614422643932
Energy: 0.7148113345705653
Energy: 0.8300998847012172
Energy: 0.7086878306039324
Energy: 0.8072840065880803
Energy: 0.7086878306057819
Energy: 0.8051175526770409
Energy: 0.7081166867394606
Energy: 0.9064635144641237
Energy: 0.7081166867413101
Energy: 0.8176444388822682
Energy: 0.7093706711916064
Energy: 0.8415735633150708
Energy: 0.7093706711934556
Energy: 0.890712093298027
Energy: 0.7072614232261826
Energy: 0.8421001170947828
Energy: 0.707261423224333
Energy: 0.8911913485171712
Energy: 0.7056675231879348
Energy: 0.8307123860358088
Energy: 0.70566752318701
Energy: 0.8469196236201154
Energy: 0.7060176179136824
Energy: 0.8400599203017363
Energy: 0.7060176179127579
Energy: 0.8467611525112211
Energy: 0.7062533392450671
Energy: 0.8655749351742142
Energy: 0.7062533392450671
Energy: 0.8593848864801713
Energy: 0.7076072065804611
Energy: 0.860048889070463
Energy: 0.7076072065795572
Energy: 0.831548777529572
Energy: 0.7050538410421584
Energy: 0.8470820216634042
Energy: 0.7050538410421584
Energy: 0.835727631986193
Energy: 0.7058869466414781
Energy: 0.8530008199251583
Energy: 0.7058869466414781
Energy: 0.8318717670249098
Energy: 0.7061499400316016
Energy: 0.8910581760298978
Energy: 0.7061499400325265
Energy: 0.8422469450456502
Energy: 0.8721108086116619
Energy: 0.8224878806805729
Energy: 0.8721108086116619
Energy: 0.9114795866674748
Energy: 0.7085125641769677
Energy: 0.8062626338239157
Energy: 0.7085125641769677
Energy: 0.8674933459048322
Energy: 0.7085078145987552
Energy: 0.803646407873085
Energy: 0.7085078145978304
Energy: 0.8059365392384507
Energy: 0.8055114408083973
Energy: 0.8302328576246913
Energy: 0.8055114408083973
Energy: 0.7836803935810334
Energy: 0.7133787772831318
Energy: 0.7715365857920063
Energy: 0.7133787772831318
Energy: 0.7804093465630804
Energy: 0.7144007299283915
Energy: 0.7667942045721924
Energy: 0.7144007299283915
Energy: 0.8188702846453416
Energy: 0.7668412064413122
Energy: 0.7670511494368805
Energy: 0.7668412064403874
Energy: 0.8449713745809782
Energy: 0.7243732046663899
Energy: 0.7692067038924322
Energy: 0.7243732046663899
Energy: 0.7625247362274986
Energy: 0.7259387051653367
Energy: 0.7644093462059056
Energy: 0.7259387051653367
Energy: 0.7585247313512775
Energy: 0.758784115354302
Energy: 0.8181906257569822
Energy: 0.7587841158026164
Energy: 0.7640516588063815
Energy: 0.7447412162405643
Energy: 0.8420068773646623
Energy: 0.7447412162396396
Energy: 0.7589189180588047
Energy: 0.7474236068363115
Energy: 0.7896486651115068
Energy: 0.7474236068363115
Energy: 0.7768668988272638
Energy: 0.7928959185686912
Energy: 0.7893726251446311
Energy: 0.7928959185686912
Energy: 0.7746015911415763
Energy: 0.7624185123007602
Energy: 0.7637423609550931
Energy: 0.7624185123007602
Energy: 0.7911676307717529
Energy: 0.7645523287629169
Energy: 0.7620990054277955
Energy: 0.7645523287629169
Energy: 0.7902412787253966
Energy: 0.7608314625398737
Energy: 0.81524348991067
Energy: 0.7608314625407986
Energy: 0.7620247641642013
Energy: 0.7630746823504683
Energy: 0.7801574433173207
Energy: 0.7630746823495436
Energy: 0.7619354194808738
Energy: 0.7634891766428931
Energy: 0.7620321581680323
Energy: 0.7634891766456673
Energy: 0.7874109693918693
Energy: 0.7627078922877386
Energy: 0.7620759980706403
Energy: 0.7627078922877386

minimum gb energy = 0.7050538410421584 eV
minimum distance =  2.26974912728492 Angstroms
sigma value = 113


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

Energy: 0.014416825927459223
Energy: 0.10389574444956882
Energy: 0.8613563733916957
Energy: 0.0145513266687716
Energy: 0.09402214435955632
Energy: 0.10489374977228974
Energy: 0.09389452064093018
Energy: 0.10489374977228974
Energy: 0.09047271704923814
Energy: 0.10475898239867407
Energy: 0.015065242055717867
Energy: 0.10475898239867407
Energy: 0.09021044918963522
Energy: 0.10596976822421182
Energy: 0.01656993607365625
Energy: 0.10596976822421182
Energy: 0.09191212425473658
Energy: 0.10394231675785864
Energy: 0.0918462657674507
Energy: 0.10394231675856953
Energy: 0.01511171627871716
Energy: 0.10539143922930573
Energy: 0.09013912454965031
Energy: 0.10539143922930573

minimum gb energy = 0.014416825927459223 eV
minimum distance =  2.44469979787339 Angstroms
sigma value = 1