Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
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=2.860195450484753
cohesive_energy=4.280338510564498
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=[0.0, 0.0, 8.79692704840674e-21, 1.2913127104115159e-19, 2.7123889107639595e-19, 3.75024689073648e-19, 4.34827534114332e-19, 4.61165715800658e-19, 4.81660759302786e-19, 5.041969758366299e-19, 5.28620556445326e-19, 5.538532362541919e-19, 5.78640510958806e-19, 6.018240068527859e-19, 6.22528935493968e-19, 6.40202545943622e-19, 6.545900921169419e-19, 6.6565632612797995e-19, 6.73527819930822e-19, 6.784577174336401e-19, 6.81713340353928e-19, 6.8397721593777e-19, 6.853006138374539e-19, 6.85731599352e-19, 6.852685703047741e-19, 6.837673307987159e-19, 6.810420283442819e-19, 6.768699603893459e-19, 6.709883699659319e-19, 6.630752195706059e-19, 6.52747588987842e-19, 6.39537642640512e-19, 6.228782100001799e-19, 6.02069139877788e-19, 5.762452568909759e-19, 5.443331026949639e-19, 5.04983644563924e-19, 4.5648415567611e-19, 3.9664446057284396e-19, 3.2263671749511596e-19, 2.30758296241752e-19, 1.1132788428414358e-19, -7.192395214754759e-20, -3.2424850718892e-19, -6.389896982316839e-19, -1.0174077974161438e-18, -1.473178984490124e-18, -2.04905574075528e-18, -2.9438073037789197e-18, -4.393168330428e-18, -6.4144903936487395e-18, -9.263913471918719e-18, -1.40696743291344e-17, -2.3812991093478598e-17]
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: 0.013186206020745654
Energy: 1.0878484887810573
Energy: 1.927111813595748
Energy: 0.013604345010112859
Energy: 1.0878484887820592
Energy: 0.2378166924462584
Energy: 1.0864268181586438
Energy: 0.2378166924462584
Energy: 1.9271118135839753
Energy: 1.0864268181576697
Energy: 1.3347040537989472
Energy: 1.0864268181576697
Energy: 0.013604345010112859
Energy: 0.2378166924462584
Energy: 1.0864268181576697
Energy: 0.2378166924462584

minimum gb energy = 0.013186206020745654 eV
minimum distance =  2.43599152802637 Angstroms
sigma value = 1


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

Energy: 2.1600145590476503
Energy: 0.9952142592308643
Energy: 2.376988081482645
Energy: 1.1740525374292363
Energy: 1.9446333018688804
Energy: 1.0449029979533624
Energy: 1.0996555472864031
Energy: 1.0449029979545774
Energy: 1.9401169319477671
Energy: 0.9819095738936485
Energy: 0.9806466629223143
Energy: 0.9819095738948637
Energy: 1.9501906290826714
Energy: 1.0367447773657228
Energy: 1.0354688085063446
Energy: 1.0367447773669376
Energy: 1.9875776027300711
Energy: 1.0177958185034734
Energy: 1.2847545043417525
Energy: 1.017795818507119
Energy: 1.9499777210825868
Energy: 1.225593349867878
Energy: 1.3387992780575464
Energy: 1.2255933498703082
Energy: 1.914065764071335
Energy: 1.258197886551318
Energy: 1.3696217722257213
Energy: 1.258197886551318
Energy: 1.653762269308293
Energy: 1.2245850620234493
Energy: 1.30694462826723
Energy: 1.2245850620222896
Energy: 1.6583112337758057
Energy: 1.3538564568963127
Energy: 1.7914007478283613
Energy: 1.3538564569048188
Energy: 1.6555378810386545
Energy: 1.3953875001366638
Energy: 1.6522885451353455
Energy: 1.395387500137879
Energy: 1.8115844633476177
Energy: 1.370503023132543
Energy: 1.8154723215443531
Energy: 1.370503023132543
Energy: 1.3331896318658432
Energy: 1.3278313538447903
Energy: 1.6532890597608345
Energy: 1.3278313538447903
Energy: 1.3735381787801684
Energy: 1.3112076252830815
Energy: 1.6489758906037721
Energy: 1.3112076252830815
Energy: 1.281461653439832
Energy: 1.223742322571264
Energy: 1.9504287412992294
Energy: 1.2237423225700492
Energy: 1.2675218357312434
Energy: 1.2429770225031211
Energy: 2.1651119588619503
Energy: 1.2429770225019057
Energy: 1.0370841470822076
Energy: 1.1581323169742044
Energy: 1.936506609595375
Energy: 1.1581323169754194
Energy: 0.9946932160586158
Energy: 0.9753532539358135
Energy: 1.946541366888003
Energy: 0.9753532539358135
Energy: 0.9768449568410501
Energy: 1.0408773107494236
Energy: 1.9450295244894948
Energy: 1.0408773107518539
Energy: 0.9944741390417531
Energy: 1.090095555684636
Energy: 2.3374118178999947
Energy: 1.090095555684636
Energy: 1.1450199080134886
Energy: 1.139608398584041
Energy: 1.9361196522160247
Energy: 1.139608398584041
Energy: 1.1242751501088366
Energy: 1.0721823520168303
Energy: 1.8398694524577848
Energy: 1.0721823520156153
Energy: 1.0966425115843668
Energy: 1.0763923078172282
Energy: 1.8344949236475538
Energy: 1.0763923078172282
Energy: 1.0868805124473973
Energy: 1.2833941831882658
Energy: 1.992196732199219
Energy: 1.2833941831955564
Energy: 1.449205093099815
Energy: 1.3570720941566636
Energy: 1.8344788847695563
Energy: 1.3570720941566636
Energy: 1.527202334387227
Energy: 1.3638890753753623
Energy: 1.9813273748767837
Energy: 1.3638890753753623
Energy: 1.5155528599643384
Energy: 1.3188411402792213
Energy: 1.480953696614313
Energy: 1.3188411402804363
Energy: 1.4827245554455504
Energy: 1.3252261489379182
Energy: 1.6604955672186568
Energy: 1.325226148946424
Energy: 1.8428193864505475
Energy: 1.345569747541739
Energy: 1.4761680105742128
Energy: 1.3455697475429542
Energy: 1.7346523789211241
Energy: 1.3529470525278051
Energy: 1.6489041260614157
Energy: 1.35294705252659
Energy: 1.733681067688935
Energy: 1.3346163142686953
Energy: 1.087899898913783
Energy: 1.33461631426748
Energy: 1.837843134642378
Energy: 1.105590379228009
Energy: 1.1086112216039246
Energy: 1.1055903792267938
Energy: 1.9445576866540257
Energy: 1.0802201004124787
Energy: 1.2008816886366416
Energy: 1.0802201004112635
Energy: 1.9320394840180068
Energy: 1.0882896349252764
Energy: 1.0940185812359735
Energy: 1.0882896349264917

minimum gb energy = 0.9753532539358135 eV
minimum distance =  2.2580518079498 Angstroms
sigma value = 1


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

Energy: 2.4263204630820407
Energy: 2.26887725153221
Energy: 2.272422934931132
Energy: 2.083814491831465
Energy: 1.869141182275706
Energy: 1.0358881005829539
Energy: 1.0489356096977402
Energy: 1.0358881005829539
Energy: 1.8862406279778026
Energy: 1.0244072979586494
Energy: 1.0377689037494602
Energy: 1.0244072979586494
Energy: 1.8864833771969889
Energy: 1.0485226536135779
Energy: 1.0215471730852015
Energy: 1.0485226536149634
Energy: 2.008184194702284
Energy: 1.216416753305935
Energy: 1.3589953388050628
Energy: 1.2164167533045493
Energy: 1.8863923877835886
Energy: 1.2020000908298614
Energy: 1.2952894599004017
Energy: 1.2020000908312467
Energy: 1.9438987299584487
Energy: 1.2139181324867074
Energy: 1.2771800802984037
Energy: 1.213918132488093
Energy: 1.6825900081509866
Energy: 1.2140960035732276
Energy: 1.2855022189243603
Energy: 1.2140960035732276
Energy: 2.022424648556779
Energy: 1.4488658771776737
Energy: 1.6451609753283543
Energy: 1.4488658771749028
Energy: 1.6877639554816164
Energy: 1.3473945789492958
Energy: 1.6558953788987132
Energy: 1.3473945789492958
Energy: 1.8410841430840619
Energy: 1.3406745266465425
Energy: 1.6219953809379115
Energy: 1.3406745266451572
Energy: 1.2621279505138043
Energy: 1.2333732265399853
Energy: 1.444659662247968
Energy: 1.2333732265413708
Energy: 1.3378227163843965
Energy: 1.329592303725959
Energy: 1.698796976810376
Energy: 1.329592303725959
Energy: 1.2374469649675588
Energy: 1.2010341110387939
Energy: 1.886746103283759
Energy: 1.2010341110387939
Energy: 1.236975482427203
Energy: 1.0358530565434216
Energy: 2.42724763584652
Energy: 1.0358530565572446
Energy: 1.0492017672617533
Energy: 1.0354555472398845
Energy: 1.8525549416050275
Energy: 1.0354555472398845
Energy: 1.026000154397885
Energy: 1.0196200436580631
Energy: 1.886590180180046
Energy: 1.0196200436566776
Energy: 1.0256704528888918
Energy: 1.0483444374110285
Energy: 1.8865016213441428
Energy: 1.0483444374110285
Energy: 1.0507822142105525
Energy: 1.2020428309357905
Energy: 2.022345210600318
Energy: 1.202042830934405
Energy: 1.270064369788749
Energy: 1.2018920543963445
Energy: 1.8867381534880714
Energy: 1.2018920543991156
Energy: 1.2335196098578327
Energy: 1.2135406005659295
Energy: 1.8857552608168984
Energy: 1.2135406005645442
Energy: 1.2846499994488396
Energy: 1.2128946121979474
Energy: 1.6764122962112884
Energy: 1.212894612199333
Energy: 1.285543759395264
Energy: 1.347042303596385
Energy: 2.0224388982269614
Energy: 1.347042303596385
Energy: 1.6559473318119444
Energy: 1.4018061219974853
Energy: 1.6883961222331043
Energy: 1.4018061219960996
Energy: 1.6312855917129678
Energy: 1.3465986152951654
Energy: 1.8423210378462174
Energy: 1.3465986152951654
Energy: 1.443949967653414
Energy: 1.3485954687502193
Energy: 1.2764369640684001
Energy: 1.3485954687474484
Energy: 1.6989764231092523
Energy: 1.2145553181629924
Energy: 1.3375685488030062
Energy: 1.2145553181602216
Energy: 1.8864383456058167
Energy: 1.2012373000354564
Energy: 1.2385203570357295
Energy: 1.2012373000354564
Energy: 1.8532237105372802
Energy: 1.204491585226955
Energy: 1.236390045250953
Energy: 1.2044915852283407

minimum gb energy = 1.0196200436566776 eV
minimum distance =  2.28158560112639 Angstroms
sigma value = 25


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

Energy: 2.2816431727246096
Energy: 1.0952662288480026
Energy: 1.0962526986826056
Energy: 2.234373156968258
Energy: 1.8052859329363338
Energy: 1.0950488863329995
Energy: 1.169666105413483
Energy: 1.0950488863329995
Energy: 1.8131631480267145
Energy: 1.0802881349004076
Energy: 1.0896790874890498
Energy: 1.0802881349004076
Energy: 1.7896058688786247
Energy: 1.0779013347308148
Energy: 1.0934663515817444
Energy: 1.0779013347308148
Energy: 2.061507114842948
Energy: 1.0692943009429596
Energy: 1.4965362629347432
Energy: 1.0692943009445703
Energy: 1.8132094555057865
Energy: 1.3735302565569167
Energy: 1.5467907917219426
Energy: 1.3735302565569167
Energy: 1.9337976514660271
Energy: 1.4104396831817492
Energy: 1.5954534823524569
Energy: 1.4104396831817492
Energy: 1.4988643423517796
Energy: 1.3478394803257188
Energy: 1.4849710249703791
Energy: 1.3478394803273295
Energy: 1.6422507624214873
Energy: 1.6226828859367703
Energy: 1.5504120998397204
Energy: 1.6226828859367703
Energy: 1.461471304354898
Energy: 1.3728602045354081
Energy: 1.8491152997314515
Energy: 1.3728602045354081
Energy: 1.585087907949068
Energy: 1.260701788828824
Energy: 1.8285940029006917
Energy: 1.260701788828824
Energy: 1.068884354677283
Energy: 1.074613724047799
Energy: 1.8242207941913533
Energy: 1.074613724047799
Energy: 1.0914457402529472
Energy: 1.0798255261957872
Energy: 1.8048409043987772
Energy: 1.0798255261973977
Energy: 1.1513446728726047
Energy: 1.1515615774806245
Energy: 1.8217826306241858
Energy: 1.1515615774790138
Energy: 1.0928343705885863
Energy: 1.09533394205439
Energy: 2.0594153707761333
Energy: 1.0953339420527792
Energy: 1.3015477089729355
Energy: 1.2824081757479293
Energy: 1.815796803433943
Energy: 1.2824081757495398
Energy: 1.2753090311482305
Energy: 1.2078826768361184
Energy: 1.8245536313834774
Energy: 1.2078826768345077
Energy: 1.2445869884396097
Energy: 1.2144817878311587
Energy: 1.717038827411188
Energy: 1.2144817878327692
Energy: 1.2520489278710916
Energy: 1.7318492190942314
Energy: 1.6395473345964975
Energy: 1.7318492190910102
Energy: 1.724243479099591
Energy: 1.4756934255695098
Energy: 1.7170855288881899
Energy: 1.4756934255695098
Energy: 1.5745093596405346
Energy: 1.5039672247340925
Energy: 1.9064982551264613
Energy: 1.5039672247324822
Energy: 1.5949379852557173
Energy: 1.446855939204125
Energy: 1.2393030368844862
Energy: 1.446855939204125
Energy: 1.719181310088454
Energy: 1.2618014433403664
Energy: 1.273984147759912
Energy: 1.2618014433387923
Energy: 1.7833891918639317
Energy: 1.2245419755418998
Energy: 1.2675840852639204
Energy: 1.2245419755418998
Energy: 1.852293824080499
Energy: 1.0931997371079232
Energy: 1.2293281276318122
Energy: 1.0931997371095337

minimum gb energy = 1.068884354677283 eV
minimum distance =  2.34117904611405 Angstroms
sigma value = 9


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

Energy: 2.062359402448522
Energy: 2.1483816669779
Energy: 1.1483433386480326
Energy: 1.869199593804496
Energy: 1.6903498689370378
Energy: 1.1470447005424638
Energy: 1.147165716663927
Energy: 1.1470447005443851
Energy: 1.8031673724320318
Energy: 1.1286256233013372
Energy: 1.161510048973345
Energy: 1.1286256233026908
Energy: 1.803240304815463
Energy: 1.1474932422829855
Energy: 1.2073138379771904
Energy: 1.1474932422818287
Energy: 1.5762390334985976
Energy: 1.3509362120576411
Energy: 1.4959827253253533
Energy: 1.3509362120636015
Energy: 1.8029270541504605
Energy: 1.3416345443652877
Energy: 1.521923139225146
Energy: 1.3416345443675803
Energy: 1.8029205686766994
Energy: 1.451718823098004
Energy: 1.116864511684311
Energy: 1.4517188230968465
Energy: 1.4234074094480538
Energy: 1.369389780269739
Energy: 1.5171964716246635
Energy: 1.3693897802699135
Energy: 1.5975174415883089
Energy: 1.6170211860561343
Energy: 1.9041671207169797
Energy: 1.617021186058252
Energy: 1.4345118953865512
Energy: 1.3385748749694544
Energy: 1.729398237665965
Energy: 1.3385748749662014
Energy: 1.4385960951454184
Energy: 1.3507617897529065
Energy: 2.066433867885833
Energy: 1.3507617897571205
Energy: 1.1473652476017873
Energy: 1.1453674354977046
Energy: 1.6670142477769316
Energy: 1.1453674354973116
Energy: 1.159306064180526
Energy: 1.1419559396862042
Energy: 1.7284397467107397
Energy: 1.1419559396860077
Energy: 1.1621479027172998
Energy: 1.1472903278595339
Energy: 1.8029264828389677
Energy: 1.1472903278612585
Energy: 1.1697023918437404
Energy: 1.3528401482679386
Energy: 1.5797535129560223
Energy: 1.3528401482700567
Energy: 1.5182982279311257
Energy: 1.3426230253294786
Energy: 1.7970842547502017
Energy: 1.3426230253333211
Energy: 1.149080045899093
Energy: 1.3512683419699025
Energy: 1.8028765273165361
Energy: 1.3512683419710596
Energy: 1.1489513600236079
Energy: 1.3509289232636714
Energy: 1.4338120716820166
Energy: 1.3509289232632782
Energy: 1.5061655874694637
Energy: 1.6086910707741133
Energy: 1.6015009813340895
Energy: 1.6086910707747026
Energy: 1.7292896517297438
Energy: 1.339954299726319
Energy: 1.4359146106077003
Energy: 1.3399542997314935
Energy: 1.8947132334478438
Energy: 1.341120621635087
Energy: 1.433443679684619
Energy: 1.3411206216331655

minimum gb energy = 1.116864511684311 eV
minimum distance =  2.29333204843749 Angstroms
sigma value = 25


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

Energy: 1.7954253662761945
Energy: 2.209981825960326
Energy: 1.2521264913049575
Energy: 2.078091936106342
Energy: 1.6350541654774988
Energy: 1.2543134626472816
Energy: 1.2544601091368384
Energy: 1.2543134626482266
Energy: 1.5221025710056688
Energy: 1.2268064847889029
Energy: 1.2389754390395693
Energy: 1.2268064847869857
Energy: 1.5859362973962443
Energy: 1.2951033979049085
Energy: 1.222019025549544
Energy: 1.2951033979037205
Energy: 1.502405321911635
Energy: 1.6516672191300128
Energy: 1.4908869359662942
Energy: 1.6516672191300128
Energy: 1.5833590493443046
Energy: 1.5696818039002398
Energy: 1.5349636429292162
Energy: 1.569681803899538
Energy: 1.58500935237711
Energy: 1.6418162105518184
Energy: 1.6327541030716641
Energy: 1.6418162105541945
Energy: 1.1989394982573411
Energy: 1.355511780931786
Energy: 1.6311745521290246
Energy: 1.355511780931786
Energy: 1.217565299315766
Energy: 1.396163884231392
Energy: 1.6222881652084136
Energy: 1.3961638842330657
Energy: 1.2226299019237463
Energy: 1.230993415579355
Energy: 1.6283447239747662
Energy: 1.2309934156050057
Energy: 1.2974317408673124
Energy: 1.4203054984799715
Energy: 2.1858805659443448
Energy: 1.4203054984794854
Energy: 1.5737394130738531
Energy: 1.5494392742045848
Energy: 1.7986731743210933
Energy: 1.5494392742062586
Energy: 1.4470738167231636
Energy: 1.4262877402838623
Energy: 1.6281466533490017
Energy: 1.4262877402838623
Energy: 1.463993934326558
Energy: 1.4961508302090456
Energy: 1.4715478426982733
Energy: 1.4961508302088027
Energy: 1.5905977473643487
Energy: 1.5840154630547172
Energy: 1.517614874635563
Energy: 1.5840154630542311
Energy: 1.5297267307155058
Energy: 1.4534280641248642
Energy: 1.4601785854050366
Energy: 1.453428064125566
Energy: 1.9414330667142172
Energy: 1.458597948887411
Energy: 1.4479227047180132
Energy: 1.4585979488852783

minimum gb energy = 1.1989394982573411 eV
minimum distance =  2.25097364718483 Angstroms
sigma value = 17


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

Energy: 2.5094793093555356
Energy: 2.2549666816461906
Energy: 1.332026026311098
Energy: 2.1483192016732007
Energy: 1.528879338034635
Energy: 1.35126285502936
Energy: 1.3895062471988449
Energy: 1.35126285502936
Energy: 1.5206942187061487
Energy: 1.3937319665875056
Energy: 1.310920775747032
Energy: 1.3937319665875056
Energy: 1.5515495544883873
Energy: 1.3925829415339976
Energy: 1.2704412216633016
Energy: 1.3925829415339976
Energy: 1.6272906685704858
Energy: 1.5705313574976298
Energy: 1.4598181576503317
Energy: 1.5705313574976298
Energy: 1.497381625580111
Energy: 1.5314066162526732
Energy: 1.4615131011623597
Energy: 1.5314066162513278
Energy: 1.4533402478518824
Energy: 1.389212922017418
Energy: 1.581402114782773
Energy: 1.389212922018764
Energy: 1.2678119679242363
Energy: 1.2434005787092772
Energy: 1.5848574446523271
Energy: 1.2434005787106228
Energy: 1.279600227667685
Energy: 1.2708190217249797
Energy: 1.5159753888987055
Energy: 1.2708190217263253
Energy: 1.234162480832596
Energy: 1.3137275396964914
Energy: 1.513457042912624
Energy: 1.3137275396938002
Energy: 1.2418106410798262
Energy: 1.5042753780122324
Energy: 1.8129130875059059
Energy: 1.5042753780176152
Energy: 1.4841131400941587
Energy: 1.597873005499776
Energy: 1.4545843165519043
Energy: 1.5978730054984305
Energy: 1.5518931458376952
Energy: 1.5204435913682623
Energy: 1.4899619116886502
Energy: 1.5204435913682623
Energy: 1.5809607883904768
Energy: 1.490477958733963
Energy: 1.2828756297287884
Energy: 1.4904779587326173
Energy: 1.5130160954638148
Energy: 1.2111309293636578
Energy: 1.2499247845083885
Energy: 1.2111309293636578
Energy: 1.4978284032449782
Energy: 1.2619808687065068
Energy: 1.2735702348094375
Energy: 1.2619808687078524
Energy: 1.7113301531021434
Energy: 1.3340539506201932
Energy: 1.3005102357638354
Energy: 1.3340539506215392
Energy: 1.5378078619016342
Energy: 1.4930379412255614
Energy: 1.5291363785594594
Energy: 1.4930379412242156
Energy: 1.49181215502387
Energy: 1.5717032910706525
Energy: 1.4999103817663015
Energy: 1.5717032910693067
Energy: 1.3937488050597613
Energy: 1.7048689648267992
Energy: 1.595467889764961
Energy: 1.7048689648267992
Energy: 1.2433212105188194
Energy: 1.4005023663742866
Energy: 1.4838050297501535
Energy: 1.400502366375632
Energy: 1.2942424380246431
Energy: 1.3217180836862823
Energy: 1.4970031424229449
Energy: 1.3217180836862823
Energy: 1.3941576766417445
Energy: 1.3761892360152843
Energy: 1.539045585544981
Energy: 1.3761892360152843
Energy: 1.477903249235886
Energy: 1.366517847578293
Energy: 2.2353930836475757
Energy: 1.366517847578293
Energy: 1.5106628708821135
Energy: 1.4299100711607635
Energy: 1.5036471851065896
Energy: 1.4299100711621096
Energy: 1.4005991446055477
Energy: 1.4766941817273456
Energy: 1.5399092676400883
Energy: 1.4766941817273456
Energy: 1.414680113783476
Energy: 1.4516455347540742
Energy: 1.4216857777824539
Energy: 1.4516455347540742
Energy: 1.5414740678359637
Energy: 1.458518451235375
Energy: 1.423899801890597
Energy: 1.4585184512340295
Energy: 1.528261437702121
Energy: 1.4535321937619352
Energy: 1.5024809616342516
Energy: 1.453532193759244
Energy: 2.5073395067773516
Energy: 1.4646026328675052
Energy: 1.4420966666316715
Energy: 1.4646026328701964

minimum gb energy = 1.2111309293636578 eV
minimum distance =  2.26166731758258 Angstroms
sigma value = 53


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

Energy: 1.1572613654058397
Energy: 1.7676370891807909
Energy: 1.2280493832759058
Energy: 1.2493664465283758
Energy: 1.3367532743782287
Energy: 1.2613846006647251
Energy: 1.2179474611941674
Energy: 1.2613846006641267
Energy: 1.307047762807423
Energy: 1.2816439396928687
Energy: 1.2233910271670334
Energy: 1.2816439396888553
Energy: 1.309271378265801
Energy: 1.2763567139406298
Energy: 1.285855789005069
Energy: 1.2763567139397145
Energy: 1.3668138673793528
Energy: 1.316311237368679
Energy: 1.2890753714694445
Energy: 1.3163112373695944
Energy: 1.3096511769731698
Energy: 1.3742761617952766
Energy: 1.2885901897619763
Energy: 1.3742761617937276
Energy: 1.3062433820699038
Energy: 1.2849343708850978
Energy: 1.160284882424607
Energy: 1.2849343708878789
Energy: 1.2229412584388706
Energy: 1.2641587722835321
Energy: 1.1604131999553198
Energy: 1.2641587722844825
Energy: 1.2226147424298104
Energy: 1.26359315073952
Energy: 1.305791241986136
Energy: 1.2635931507392029
Energy: 1.2165775430924544
Energy: 1.277357126419667
Energy: 1.3103801083278241
Energy: 1.2773571264224481
Energy: 1.288173118436586
Energy: 1.3163904873895713
Energy: 1.3588411641323392
Energy: 1.3163904873880221
Energy: 1.2868936750466988
Energy: 1.276387091833198
Energy: 1.3089713050699558
Energy: 1.276387091834747
Energy: 1.1603826188572672
Energy: 1.281420809981682
Energy: 1.3070556052409863
Energy: 1.2814208099825972

minimum gb energy = 1.1572613654058397 eV
minimum distance =  2.30293538153831 Angstroms
sigma value = 9


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

Energy: 2.194828835640217
Energy: 1.8929181892304343
Energy: 1.5090116834247462
Energy: 1.5593372349125425
Energy: 1.5467704669187559
Energy: 1.5671344563258656
Energy: 1.4809584782275718
Energy: 1.5671344563258656
Energy: 1.4352055598834026
Energy: 1.4490682119587628
Energy: 1.4356814606354296
Energy: 1.4490682119564697
Energy: 1.4277375614192553
Energy: 1.4481333380928383
Energy: 1.406780211304954
Energy: 1.4481333380951316
Energy: 1.3784511021960884
Energy: 1.4360442023139353
Energy: 1.4464330299749484
Energy: 1.4360442023127886
Energy: 1.4799124315192262
Energy: 1.6062011436059112
Energy: 1.4582583091661556
Energy: 1.6062011436047645
Energy: 1.4632200349822049
Energy: 1.4911581477691316
Energy: 1.9115420030553076
Energy: 1.4911581477691316
Energy: 1.611833814556748
Energy: 1.4472664760762992
Energy: 1.8699289183378092
Energy: 1.4472664760751526
Energy: 1.5661617873192424
Energy: 1.5957548721716208
Energy: 1.5451843312354996
Energy: 1.5957548721727675
Energy: 1.460307256511725
Energy: 1.5036076616873049
Energy: 1.4015783598432132
Energy: 1.5036076616873049
Energy: 1.5574214230885577
Energy: 1.396072834352603
Energy: 1.2997630916576386
Energy: 1.396072834352603
Energy: 1.7225220382741662
Energy: 1.5693029337389302
Energy: 1.3988768341745452
Energy: 1.5693029337400768
Energy: 1.8755706475176221
Energy: 1.375613044438163
Energy: 1.4085841404918094
Energy: 1.3756130444358696
Energy: 1.8767066643246881
Energy: 1.3793865031388346
Energy: 1.7512085440753742
Energy: 1.3793865031365413
Energy: 1.683613235129245
Energy: 1.7145136360143218
Energy: 1.7824056446919532
Energy: 1.7145136360131752
Energy: 1.5999988933979776
Energy: 1.6826162708676777
Energy: 1.7071999791581312
Energy: 1.6826162708653847
Energy: 1.29342550002102
Energy: 1.3446240168956511
Energy: 1.7553470696115654
Energy: 1.3446240168979444
Energy: 1.3792137859045628
Energy: 1.46955170760859
Energy: 1.8622112278957375
Energy: 1.4695517076074436
Energy: 1.3467730036177565
Energy: 1.3015520495283834
Energy: 1.9251331745434144
Energy: 1.30155204952953
Energy: 1.3701273516600516
Energy: 1.657878988603326
Energy: 1.8644412774609074
Energy: 1.6578789886044727
Energy: 1.6885360570327324
Energy: 1.5197135391206218
Energy: 1.9230888890000106
Energy: 1.519713539118329
Energy: 1.7962523106695785
Energy: 1.3914130446907966
Energy: 1.8036387967388594
Energy: 1.39141304468965
Energy: 1.7963925531823062
Energy: 1.3975437188668132
Energy: 1.3621981276289248
Energy: 1.397543718864572
Energy: 1.891491582061511
Energy: 1.3997493772035041
Energy: 1.3768869634596583
Energy: 1.3997493772000644
Energy: 1.7283591617620688
Energy: 1.3771225822415323
Energy: 1.3162852423995157
Energy: 1.3771225822438258
Energy: 1.5877515742768054
Energy: 1.6124150690960999
Energy: 1.4158465692861528
Energy: 1.612415069107566
Energy: 1.7241961976801037
Energy: 1.5630392915484048
Energy: 1.6896516550610112
Energy: 1.5630392915506983
Energy: 1.7353069105252608
Energy: 1.542232008440222
Energy: 1.9940139830960573
Energy: 1.5422320084425152
Energy: 1.400502549740215
Energy: 1.568942040733558
Energy: 1.8640001348155337
Energy: 1.5689420407312646
Energy: 1.4163725114010433
Energy: 1.4731902347396169
Energy: 1.8509349848590597
Energy: 1.4731902347373236
Energy: 1.3469369727309501
Energy: 1.4524660125367856
Energy: 1.5958287715966257
Energy: 1.4524660125379323
Energy: 1.3249404765539494
Energy: 1.435386751965862
Energy: 1.5557653040214705
Energy: 1.435386751965862
Energy: 1.3873492742799227
Energy: 1.5047779063030202
Energy: 1.5447622008665491
Energy: 1.504777906300727
Energy: 1.568789813136617
Energy: 1.7157285742457171
Energy: 1.6055602313472994
Energy: 1.7157285742468638
Energy: 1.823158101322177
Energy: 1.5078811023257332
Energy: 1.656899937199285
Energy: 1.5078811023222936

minimum gb energy = 1.29342550002102 eV
minimum distance =  2.28745216348234 Angstroms
sigma value = 73


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

Energy: 2.1655051950902497
Energy: 2.1444542795163457
Energy: 1.5073054632147271
Energy: 2.0107577084777857
Energy: 1.6418997728959392
Energy: 1.5682756594446374
Energy: 1.4963784277996208
Energy: 1.5682756594449887
Energy: 1.5549593378001052
Energy: 1.4951834469671492
Energy: 1.4744996182052643
Energy: 1.4951834469675216
Energy: 1.424958827395161
Energy: 1.486171351326496
Energy: 1.40436637365497
Energy: 1.486171351325235
Energy: 1.4117656536663767
Energy: 1.467345875493235
Energy: 1.4515584521963187
Energy: 1.4673458754936068
Energy: 1.482767782845101
Energy: 1.649441166575979
Energy: 1.4874717368102612
Energy: 1.6494411665756068
Energy: 1.5240739666418024
Energy: 1.5229326725677872
Energy: 1.944050832897679
Energy: 1.5229326725690484
Energy: 1.650819792177105
Energy: 1.4683170291486853
Energy: 1.9292919164587652
Energy: 1.4683170291488712
Energy: 1.704623000974017
Energy: 1.4917918104251278
Energy: 1.6594348205350422
Energy: 1.4917918104254795
Energy: 1.5395066359511531
Energy: 1.5526186667191149
Energy: 1.3843713944619607
Energy: 1.552618666719487
Energy: 1.6817748191234405
Energy: 1.3580599833385527
Energy: 1.307280141853691
Energy: 1.3580599833369196
Energy: 1.6165581210761464
Energy: 1.456712194179667
Energy: 1.4449897077172924
Energy: 1.4567121941820236
Energy: 1.6424024552677154
Energy: 1.3326183713773099
Energy: 1.3704825281152453
Energy: 1.3326183713778474
Energy: 1.715413518648793
Energy: 1.3258107043438208
Energy: 1.8232554084276253
Energy: 1.325810704345454
Energy: 1.968738042533818
Energy: 1.5690565467242163
Energy: 1.7966962395956798
Energy: 1.569056546724754
Energy: 1.6608229217254504
Energy: 1.615485455343595
Energy: 1.8418046664021155
Energy: 1.615485455343781
Energy: 1.3269905412155665
Energy: 1.3299294042193275
Energy: 1.8268970727125209
Energy: 1.3299294042202372
Energy: 1.4061693090227092
Energy: 1.4501995877547509
Energy: 1.7485702841573576
Energy: 1.450199587752022
Energy: 1.303676428034288
Energy: 1.3584291904487882
Energy: 1.6661507811663305
Energy: 1.3584291904480648
Energy: 1.445042895723312
Energy: 1.6020896213816813
Energy: 1.67204368242731
Energy: 1.60208962138441
Energy: 1.786827368684984
Energy: 1.4801166864672215
Energy: 1.6590249493512186
Energy: 1.4801166864674076
Energy: 1.8190270181318646
Energy: 1.4690241161547872
Energy: 1.7445742629973398
Energy: 1.469024116155139

minimum gb energy = 1.303676428034288 eV
minimum distance =  2.27462877665033 Angstroms
sigma value = 7


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

Energy: 2.592496573070022
Energy: 2.093744166286078
Energy: 1.8047970547093475
Energy: 1.8916749911309054
Energy: 1.7416319660977535
Energy: 1.574216439599194
Energy: 1.4825479832461022
Energy: 1.574216439599194
Energy: 1.575240531483358
Energy: 1.4869240503101455
Energy: 1.4866120638604075
Energy: 1.4869240503101455
Energy: 1.469350755904568
Energy: 1.4624817103549543
Energy: 1.422295542163373
Energy: 1.4624817103665317
Energy: 1.4095298408883938
Energy: 1.47777956170165
Energy: 1.4864432399732739
Energy: 1.4777795617029366
Energy: 1.4441859810616313
Energy: 1.684530785956564
Energy: 1.5747448470047116
Energy: 1.6845307859552778
Energy: 1.4716655679865531
Energy: 1.4715126140990085
Energy: 1.7696139304501168
Energy: 1.4715126140990085
Energy: 1.7274390677422293
Energy: 1.4620737069142096
Energy: 1.7855228767265658
Energy: 1.4620737069142096
Energy: 1.8080887126232421
Energy: 1.459990396301921
Energy: 1.6846615808375254
Energy: 1.4599903963276486
Energy: 1.6209137534119045
Energy: 1.4534977147324466
Energy: 1.435362547614379
Energy: 1.4534977147350194
Energy: 1.806845413977583
Energy: 1.3993044286576513
Energy: 1.324369455841206
Energy: 1.3993044286589378
Energy: 1.756227704658918
Energy: 1.457275412652103
Energy: 1.4101565349726868
Energy: 1.4572754126546759
Energy: 1.744581831947982
Energy: 1.319294872871724
Energy: 1.3782193803715115
Energy: 1.3192948728202978
Energy: 1.7818562935053626
Energy: 1.445653810265231
Energy: 1.5382991438856375
Energy: 1.4456538102665173
Energy: 1.7336058710692186
Energy: 1.6494292519519067
Energy: 1.725974452150396
Energy: 1.6494292519519067
Energy: 1.7526718293754147
Energy: 1.8414365320606259
Energy: 1.9266205245455779
Energy: 1.8414365320606259
Energy: 1.435890242284064
Energy: 1.439411313251687
Energy: 1.948914145922355
Energy: 1.4394113132529733
Energy: 1.5007824347960037
Energy: 1.5207373377363693
Energy: 1.692650970629363
Energy: 1.5207373377376556
Energy: 1.4201951449026118
Energy: 1.4751645542351284
Energy: 1.4767718701109707
Energy: 1.4751645542364147
Energy: 1.454410527701017
Energy: 1.4766389690763437
Energy: 1.4604290813192602
Energy: 1.4766389690776303
Energy: 1.5746410230713044
Energy: 1.6093147772192942
Energy: 1.4449954197127775
Energy: 1.6093147772167213
Energy: 1.7872750828091342
Energy: 1.4644315808759099
Energy: 1.4710364802754967
Energy: 1.464431580879769
Energy: 1.769696836557734
Energy: 1.470594070116225
Energy: 1.82817354013691
Energy: 1.4705940701149387
Energy: 1.6844253065539578
Energy: 1.5402970666896292
Energy: 1.7159573713049034
Energy: 1.5402970666896292
Energy: 1.4344832911190935
Energy: 1.4532289592383916
Energy: 1.6230914116978732
Energy: 1.4532289592396777
Energy: 1.3296779729737889
Energy: 1.3295464019036602
Energy: 1.5066727106734872
Energy: 1.3295464019010874
Energy: 1.4331893692045305
Energy: 1.4850236033908661
Energy: 1.7522074037699478
Energy: 1.4850236033921527
Energy: 1.3216149754194748
Energy: 1.3209872412597468
Energy: 1.7369519342369368
Energy: 1.3209872412623196
Energy: 1.545001874145334
Energy: 1.7642230228299483
Energy: 1.7555469555618584
Energy: 1.7642230228299483
Energy: 1.7514572180834829
Energy: 1.7914843579290638
Energy: 1.735770863755872
Energy: 1.79148435793035
Energy: 1.9493951758468309
Energy: 1.5925877809148572
Energy: 1.8304589206206063
Energy: 1.5925877809148572

minimum gb energy = 1.3192948728202978 eV
minimum distance =  2.26216976120947 Angstroms
sigma value = 29


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

Energy: 1.770684618143261
Energy: 1.8557998260126376
Energy: 1.6733629007092226
Energy: 1.542715586854274
Energy: 1.432947127558666
Energy: 1.3752340905596132
Energy: 1.4439524082768371
Energy: 1.3752340905600364
Energy: 1.5308822539988227
Energy: 1.376971098044254
Energy: 1.387592635901992
Energy: 1.376971098044702
Energy: 1.4372142055734183
Energy: 1.3612633245094146
Energy: 1.1771921141967954
Energy: 1.3612633245028425
Energy: 1.4369592741024093
Energy: 1.4583796518119132
Energy: 1.491454485973221
Energy: 1.458379651811042
Energy: 1.3482696640518463
Energy: 1.3213281792860772
Energy: 1.4920971151392601
Energy: 1.3213281792865252
Energy: 1.68990940043683
Energy: 1.6764609292041845
Energy: 1.448195201937092
Energy: 1.6764609292050556
Energy: 1.4303429162751036
Energy: 1.3629945236326608
Energy: 1.4006137471389402
Energy: 1.3629945236352996
Energy: 1.5798272226484764
Energy: 1.3749018360672582
Energy: 1.469869707445666
Energy: 1.3749018360659637

minimum gb energy = 1.1771921141967954 eV
minimum distance =  2.32154604851538 Angstroms
sigma value = 5


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

Energy: 2.010127225340266
Energy: 1.8699096331839193
Energy: 1.865868387399711
Energy: 1.8394539233523237
Energy: 1.6490897308901165
Energy: 1.676643586193045
Energy: 1.6650030644165592
Energy: 1.676643586193045
Energy: 1.3858632313679506
Energy: 1.3472453602591397
Energy: 1.6091189781233308
Energy: 1.3472453602591397
Energy: 1.3008541750082738
Energy: 1.4344200972861392
Energy: 1.666651820274073
Energy: 1.4344200972849241
Energy: 1.3200170559836155
Energy: 1.3443548128050478
Energy: 1.5911403788494698
Energy: 1.344354812806263
Energy: 1.2874295197160799
Energy: 1.394531571896548
Energy: 1.5362413165753042
Energy: 1.3945315718977631
Energy: 1.2701356425906205
Energy: 1.44918360632874
Energy: 1.5595607267759772
Energy: 1.44918360632874
Energy: 1.4338089536096108
Energy: 1.4713607422032122
Energy: 1.4749874371722187
Energy: 1.4713607422056425
Energy: 1.6252293665861575
Energy: 1.5563582720592877
Energy: 1.5235167189019867
Energy: 1.5563582720605027
Energy: 1.886963361227386
Energy: 1.6081718630518
Energy: 1.6098106489486743
Energy: 1.6081718630518
Energy: 1.9446436283928161
Energy: 1.5839866759288965
Energy: 1.759726003811389
Energy: 1.5839866759276813
Energy: 1.857170917431137
Energy: 1.5329765386702572
Energy: 1.71451178978573
Energy: 1.532976538671472
Energy: 1.6091136388834255
Energy: 1.5166877614619332
Energy: 1.7085769518136638
Energy: 1.5166877614643635
Energy: 1.5433994175994572
Energy: 1.5551701299441996
Energy: 1.697935152960755
Energy: 1.5551701299466296
Energy: 1.492173127236165
Energy: 1.4881521668550683
Energy: 1.3008396303030658
Energy: 1.4881521668562836
Energy: 1.4736624567375347
Energy: 1.4639145065279993
Energy: 1.3600577099958873
Energy: 1.4639145065279993
Energy: 1.5426549590189327
Energy: 1.5338065837361956
Energy: 1.3430421350591075
Energy: 1.5338065837361956
Energy: 1.614079831151273
Energy: 1.3192823819701478
Energy: 1.3156722698145407
Energy: 1.3192823819689328
Energy: 1.8023151559062527
Energy: 1.390975996528362
Energy: 1.3594331551321037
Energy: 1.3909759965477488
Energy: 1.6721174248228785
Energy: 1.3509417027923143
Energy: 1.5082804044760965
Energy: 1.3509417027923143
Energy: 1.7180813655075373
Energy: 1.716986414017184
Energy: 1.8685195940819215
Energy: 1.7169864140196145
Energy: 1.8791902389104802
Energy: 1.715501624454959
Energy: 1.823689638102798
Energy: 1.715501624454959
Energy: 1.880130656674971
Energy: 1.372315154511184
Energy: 1.7115753040125312
Energy: 1.3723151545148293
Energy: 1.658727223263138
Energy: 1.525867995939536
Energy: 1.5015406509653095
Energy: 1.5258679959383208
Energy: 1.7199760559311712
Energy: 1.3504304313791677
Energy: 1.3596391528062022
Energy: 1.3504304313791677
Energy: 1.4112662040487947
Energy: 1.5587092341256046
Energy: 1.3927308398554135
Energy: 1.5587092341158835
Energy: 1.337605387437119
Energy: 1.466054930708472
Energy: 1.4061927678975246
Energy: 1.4660549307096868
Energy: 1.370840022359531
Energy: 1.4559872990882594
Energy: 1.375881235691642
Energy: 1.4559872990870442
Energy: 1.4394271759071984
Energy: 1.5472403280233085
Energy: 1.5834336781878855
Energy: 1.5472403280208784
Energy: 1.3589961880223118
Energy: 1.3511982443188462
Energy: 1.6909872719180887
Energy: 1.3511982443188462
Energy: 1.5009895111501976
Energy: 1.352823792992006
Energy: 1.6274922103217562
Energy: 1.3528237929883602
Energy: 1.7708541249139054
Energy: 1.387616501534458
Energy: 1.782996240931376
Energy: 1.3876165015332427
Energy: 1.7986965739935319
Energy: 1.773200702724315
Energy: 1.8728932548773662
Energy: 1.7732007027230998

minimum gb energy = 1.2701356425906205 eV
minimum distance =  2.23640394748756 Angstroms
sigma value = 1


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

Energy: 2.242548558166648
Energy: 1.6361091900494733
Energy: 1.6271724612111282
Energy: 1.4014456481973818
Energy: 1.6408814058028907
Energy: 1.5635521619552135
Energy: 1.532223797194862
Energy: 1.563552161951853
Energy: 1.4913019440803723
Energy: 1.559546931487078
Energy: 1.5548356072432166
Energy: 1.559546931485398
Energy: 1.4008804448109893
Energy: 1.4916789988133592
Energy: 1.404972882496908
Energy: 1.4916789988133592
Energy: 1.3595377164087037
Energy: 1.425555686903097
Energy: 1.525983404271918
Energy: 1.425555686903097
Energy: 1.3968159342457507
Energy: 1.3585234523329017
Energy: 1.5557208231516897
Energy: 1.3585234523329017
Energy: 1.3412824853637315
Energy: 1.4186570974762533
Energy: 1.7453864554867615
Energy: 1.4186570974762533
Energy: 1.7596507131053083
Energy: 1.3651299628271178
Energy: 1.5554393451375774
Energy: 1.3651299628271178
Energy: 1.7279469033215324
Energy: 1.676977133909978
Energy: 1.6619158478369898
Energy: 1.676977133909978
Energy: 1.8633804276383503
Energy: 1.8248690468512283
Energy: 1.7460594554759128
Energy: 1.8248690468512283
Energy: 1.7255753353799248
Energy: 1.270680707389554
Energy: 1.7571622068629886
Energy: 1.270680707389554
Energy: 1.2412166112929968
Energy: 1.2093128431450817
Energy: 1.6302890492917559
Energy: 1.2093128431450817
Energy: 1.2432773003173214
Energy: 1.209948449070923
Energy: 1.6302718607312752
Energy: 1.2099484490726033
Energy: 1.4205498525254294
Energy: 1.2896184821152135
Energy: 1.632062149247722
Energy: 1.2896184821185734
Energy: 1.4052097972999955
Energy: 1.5863791224829662
Energy: 1.4219485239497789
Energy: 1.5863791224829662
Energy: 1.4251141550035271
Energy: 1.544250505572119
Energy: 1.4511744367949044
Energy: 1.544250505572119
Energy: 1.6694348490978173
Energy: 1.4806467976720539
Energy: 1.385655661355419
Energy: 1.4806467976737339
Energy: 1.5020153467046915
Energy: 1.3842458247927245
Energy: 1.3767971956687164
Energy: 1.3842458247927245
Energy: 1.6369968593488897
Energy: 1.4216846697744343
Energy: 1.3354986715137986
Energy: 1.4216846697744343
Energy: 1.6276002930364544
Energy: 1.4622168594563147
Energy: 1.6518915625376516
Energy: 1.4622168594563147
Energy: 1.534747519102254
Energy: 1.5103695254829541
Energy: 1.742941786820931
Energy: 1.5103695254829541
Energy: 1.735163448277647
Energy: 1.5152199053261213
Energy: 1.7122984702762158
Energy: 1.5152199053278015
Energy: 1.835174531437079
Energy: 1.5330209809319868
Energy: 1.8020401965947876
Energy: 1.5330209809319868
Energy: 1.7311635671003223
Energy: 1.5341970092996993
Energy: 1.5196546144100305
Energy: 1.5341970092996993

minimum gb energy = 1.2093128431450817 eV
minimum distance =  2.2283413727134 Angstroms
sigma value = 17


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

Energy: 2.1098823359323293
Energy: 1.8045280089355362
Energy: 1.7899184141637359
Energy: 1.6756009671361427
Energy: 1.4966091759027411
Energy: 1.7029631901807527
Energy: 1.6581277523996125
Energy: 1.7029631901797142
Energy: 1.4689339277208298
Energy: 1.3131419606269124
Energy: 1.6243287192313642
Energy: 1.3131419606258738
Energy: 1.2794257662835489
Energy: 1.2832782298117638
Energy: 1.6525674298998498
Energy: 1.2832782298117638
Energy: 1.342293210041781
Energy: 1.2985334538161522
Energy: 1.5558078322183426
Energy: 1.2985334538182292
Energy: 1.304722200343355
Energy: 1.4269105475615356
Energy: 1.377427381014207
Energy: 1.426910547560497
Energy: 1.2990964587600973
Energy: 1.4320591054522023
Energy: 1.433849002314898
Energy: 1.4320591054511638
Energy: 1.5237159638911284
Energy: 1.4326052421242852
Energy: 1.3128183101071873
Energy: 1.4326052421232467
Energy: 1.5711129926874055
Energy: 1.2833909504361931
Energy: 1.267839500095038
Energy: 1.2833909504351548
Energy: 1.7035023242770035
Energy: 1.4605767364261006
Energy: 1.3154795151832142
Energy: 1.4605767364261006
Energy: 1.7172554009911136
Energy: 1.367483901016733
Energy: 1.5647429821715622
Energy: 1.367483901016733
Energy: 1.6476971887360485
Energy: 1.726224589243345
Energy: 1.80470300640455
Energy: 1.7262245892454215
Energy: 1.8488159006167817
Energy: 1.653318906280882
Energy: 1.772264672436979
Energy: 1.6533189062819207
Energy: 1.8129633804240088
Energy: 1.4443614229912565
Energy: 1.6902476586600943
Energy: 1.444361422990218
Energy: 1.6881843934532703
Energy: 1.3582076065732467
Energy: 1.5119285110479659
Energy: 1.3582076066064772
Energy: 1.7922168447612206
Energy: 1.3342300572663286
Energy: 1.3791049117460827
Energy: 1.3342300572663286
Energy: 1.4149694147461365
Energy: 1.5499739785211775
Energy: 1.4418378883596201
Energy: 1.549973978524293
Energy: 1.2552062738283132
Energy: 1.4661662816386958
Energy: 1.4244465063847467
Energy: 1.4661662816386958
Energy: 1.2650197892067003
Energy: 1.4118430857147368
Energy: 1.3891279549574802
Energy: 1.411843085713698
Energy: 1.3106060838032616
Energy: 1.5790885705558253
Energy: 1.59891257483228
Energy: 1.5790885705558253
Energy: 1.3052192151654394
Energy: 1.4262379112037367
Energy: 1.5716324044441399
Energy: 1.4262379112016597
Energy: 1.33109333728602
Energy: 1.4909031097835526
Energy: 1.601196893504002
Energy: 1.490903109784591
Energy: 1.4601843382110093
Energy: 1.5523987911274908
Energy: 1.5887656655046671
Energy: 1.5523987911264523
Energy: 1.684561768612629
Energy: 1.562030806152526
Energy: 1.5666505317624129
Energy: 1.5620308061566797
Energy: 1.7716485151678887
Energy: 1.5325243122237862
Energy: 1.764567877714297
Energy: 1.5325243122237862
Energy: 1.7022227993425767
Energy: 1.537367390715248
Energy: 1.8762799902904235
Energy: 1.5373673907162866
Energy: 1.6355369159145257
Energy: 1.56564875311964
Energy: 1.893476758569889
Energy: 1.5656487531206784
Energy: 1.506583378309375
Energy: 1.5399795731184631
Energy: 1.659376662775999
Energy: 1.5399795731184631
Energy: 1.499950670085059
Energy: 1.4387122619505592
Energy: 1.5367489112365698
Energy: 1.438712261949521
Energy: 1.6275541343852828
Energy: 1.3671907266649457
Energy: 1.2710296180395986
Energy: 1.3671907266670227
Energy: 1.5774214883680346
Energy: 1.3103005285256497
Energy: 1.2730088942152595
Energy: 1.3103005285370728
Energy: 1.4535595747146448
Energy: 1.4146439413271574
Energy: 1.2721775290424304
Energy: 1.414643941326119
Energy: 1.4267231791099046
Energy: 1.4411507009936209
Energy: 1.2606620597634592
Energy: 1.4411507009946594
Energy: 1.3963899330056992
Energy: 1.4572098512504552
Energy: 1.4782747483812915
Energy: 1.4572098512494167
Energy: 1.380913406304346
Energy: 1.378789673860249
Energy: 1.4754049137025829
Energy: 1.378789673860249
Energy: 1.4581647373306712
Energy: 1.366456700422538
Energy: 2.0137440803074833
Energy: 1.3664567004214994
Energy: 1.5349860530354573
Energy: 1.4075897043483852
Energy: 1.750185422351802
Energy: 1.407589704352539
Energy: 1.7763246773354207
Energy: 1.6776728744110612
Energy: 1.7367346220983482
Energy: 1.677672874413138

minimum gb energy = 1.2552062738283132 eV
minimum distance =  2.25645112913866 Angstroms
sigma value = 89


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

Energy: 2.193127085791534
Energy: 1.5548022269739155
Energy: 1.5122175953786372
Energy: 1.2293546164046814
Energy: 1.3012083033054318
Energy: 1.2745575064729568
Energy: 1.258074228195652
Energy: 1.2745575064729568
Energy: 1.308302893360264
Energy: 1.3005725694164605
Energy: 1.339897550815198
Energy: 1.3005725694169854
Energy: 1.2095519416332214
Energy: 1.2993990426449882
Energy: 1.3428958817183163
Energy: 1.2993990426444633
Energy: 1.3176288555769597
Energy: 1.2809611702950683
Energy: 1.3443920418316209
Energy: 1.2809611702945123
Energy: 1.2684696949242087
Energy: 1.3568318434215747
Energy: 1.3490693773680866
Energy: 1.3568318434218218
Energy: 1.2591811210803072
Energy: 1.3592773969466674
Energy: 1.3406651642146488
Energy: 1.3592773969436724
Energy: 1.485501855995464
Energy: 1.396127361070434
Energy: 1.344268511703439
Energy: 1.3961273610723484
Energy: 1.3377632868913396
Energy: 1.2635787432017414
Energy: 1.2598697043723397
Energy: 1.2635787432030998
Energy: 1.5073715431047212
Energy: 1.3031379366710303
Energy: 1.20615644090795
Energy: 1.3031379366710303
Energy: 1.6243136201856536
Energy: 1.2650805295694494
Energy: 1.20439398364832
Energy: 1.2650805295697274
Energy: 1.5165086194722572
Energy: 1.4428040616219557
Energy: 1.5976130372884858
Energy: 1.4428040616216777
Energy: 1.4946713089984696
Energy: 1.5179135853715
Energy: 1.586500105044458
Energy: 1.517913585371222
Energy: 1.5864330957243393
Energy: 1.4811757617024128
Energy: 1.201597733722071
Energy: 1.4811757617032153
Energy: 1.65861717338599
Energy: 1.303433620856364
Energy: 1.5584690591522798
Energy: 1.303433620856364

minimum gb energy = 1.201597733722071 eV
minimum distance =  2.2844881145646 Angstroms
sigma value = 13


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

Energy: 1.7404068683277827
Energy: 1.4125444053088427
Energy: 1.499020139852163
Energy: 1.1870127924562073
Energy: 1.3023898440869466
Energy: 1.3781968137860252
Energy: 1.2541487227778612
Energy: 1.3781968137905805
Energy: 1.3485889185325128
Energy: 1.2657233089117939
Energy: 1.3688090006198468
Energy: 1.2657233089117939
Energy: 1.1767689530380596
Energy: 1.2717219196901361
Energy: 1.3682971142987512
Energy: 1.2717219196935527
Energy: 1.3016038339248215
Energy: 1.2866235948787215
Energy: 1.2882759066338516
Energy: 1.2866235948787215
Energy: 1.3085365182780537
Energy: 1.345304546430292
Energy: 1.2745762324776615
Energy: 1.3453045464280142
Energy: 1.3450780720977553
Energy: 1.3038955039922984
Energy: 1.3075702361898118
Energy: 1.3038955039922984
Energy: 1.398644950880224
Energy: 1.3357022309582702
Energy: 1.277013642745357
Energy: 1.335702230960548
Energy: 1.405204477520137
Energy: 1.274153193814398
Energy: 1.215199748328497
Energy: 1.2741531938155368
Energy: 1.2990217446599592
Energy: 1.3060525337964897
Energy: 1.1857449506594937
Energy: 1.3060525337964897
Energy: 1.2949513849974565
Energy: 1.4232272868030509
Energy: 1.2955893298400696
Energy: 1.4232272868019118
Energy: 1.2615931681271295
Energy: 1.2694830941351534
Energy: 1.2939424440887044
Energy: 1.2694830941351534
Energy: 1.3291136633556362
Energy: 1.2106046721196833
Energy: 1.5013643218428807
Energy: 1.210604672121961
Energy: 1.3583006275512222
Energy: 1.3456331092640716
Energy: 1.6078822915894413
Energy: 1.3456331092640716
Energy: 1.564313370552981
Energy: 1.4594236175826671
Energy: 1.472664572862881
Energy: 1.459423617583806
Energy: 1.5795373778672686
Energy: 1.4668592284012871
Energy: 1.4898023453968174
Energy: 1.4668592284012871
Energy: 1.3551864261483444
Energy: 1.4633874013707058
Energy: 1.8261241168592652
Energy: 1.4633874013707058
Energy: 1.3271154320831327
Energy: 1.263518347538758
Energy: 1.479143818225133
Energy: 1.2635183475410356
Energy: 1.2521104790702131
Energy: 1.2967426182882358
Energy: 1.5039982516691899
Energy: 1.296742618287097
Energy: 1.278915512692362
Energy: 1.2669230983373272
Energy: 1.523704248820319
Energy: 1.2669230983361883
Energy: 1.7438783273891525
Energy: 1.2652072602481246
Energy: 1.186293419064428
Energy: 1.2652072602469857
Energy: 1.359757880766259
Energy: 1.267746213717837
Energy: 1.2990351270601093
Energy: 1.267746213718976
Energy: 1.284483210603015
Energy: 1.3478648809120362
Energy: 1.3068452120337517
Energy: 1.3478648809120362
Energy: 1.2602533074952458
Energy: 1.3378457004240984
Energy: 1.322728643734463
Energy: 1.3378457004240984
Energy: 1.1880791044574308
Energy: 1.3541666099688061
Energy: 1.3938222900981425
Energy: 1.354166609969945
Energy: 1.2095836519076884
Energy: 1.284336746696307
Energy: 1.4014415090415986
Energy: 1.2843367466974458
Energy: 1.1884636682588217
Energy: 1.2710031349595907
Energy: 1.5746667473531366
Energy: 1.2710031349607296
Energy: 1.2912593197347715
Energy: 1.3432789150652262
Energy: 1.2895810180157348
Energy: 1.3432789150640874
Energy: 1.3099171580024551
Energy: 1.3442404553896758
Energy: 1.2535447664017585
Energy: 1.344240455388537
Energy: 1.2810378193057397
Energy: 1.267267039726932
Energy: 1.273727604524497
Energy: 1.267267039726932
Energy: 1.6063748894932617
Energy: 1.3466484639735012
Energy: 1.3474379871558113
Energy: 1.3466484639735012
Energy: 1.4578616895195875
Energy: 1.4661330552961946
Energy: 1.5656280008740866
Energy: 1.466133055299611
Energy: 1.46051667656459
Energy: 1.4586334853434935
Energy: 1.5794763202763982
Energy: 1.458633485344632
Energy: 1.8395069287153112
Energy: 1.431341640661595
Energy: 1.3472004945944969
Energy: 1.431341640662734
Energy: 1.6198013695042657
Energy: 1.213007120414775
Energy: 1.280269558249879
Energy: 1.2130071204113584

minimum gb energy = 1.1767689530380596 eV
minimum distance =  2.27444218477036 Angstroms
sigma value = 37


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

Energy: 1.827465076604956
Energy: 1.4332924522300408
Energy: 1.4321420630685056
Energy: 1.4056702399422139
Energy: 1.4370758236285284
Energy: 1.352124136307503
Energy: 1.2142029917866857
Energy: 1.352124136307102
Energy: 1.288279369080488
Energy: 1.2239684043049865
Energy: 1.3164760807485958
Energy: 1.2239684043061443
Energy: 1.1496327791096925
Energy: 1.2205822197237592
Energy: 1.304037455779527
Energy: 1.2205822197237592
Energy: 1.27007823358112
Energy: 1.2820798281652144
Energy: 1.2824969053154502
Energy: 1.2820798281638561
Energy: 1.2740049215463272
Energy: 1.3133285256339826
Energy: 1.2073143896530605
Energy: 1.3133285256349623
Energy: 1.1886399776829173
Energy: 1.2473282952626719
Energy: 1.221731235364104
Energy: 1.2473282952628726
Energy: 1.3187114044841177
Energy: 1.3673597453359474
Energy: 1.1672123687764209
Energy: 1.3673597453367266
Energy: 1.2142789784709098
Energy: 1.1414609812624221
Energy: 1.166369331813114
Energy: 1.141460981261821
Energy: 1.2277563882537215
Energy: 1.2479224168566265
Energy: 1.152385450234186
Energy: 1.247922416856248
Energy: 1.214958482132699
Energy: 1.379013496183934
Energy: 1.3097056593212508
Energy: 1.3790134961813958
Energy: 1.1790764660645332
Energy: 1.2486819786603647
Energy: 1.2452401644799211
Energy: 1.248681978660565
Energy: 1.1330977578428794
Energy: 1.2109065424224257
Energy: 1.273565523203195
Energy: 1.210906542421446
Energy: 1.2304124576810564
Energy: 1.3678340975827443
Energy: 1.2833992164403842
Energy: 1.3678340975819652
Energy: 1.2454147830727385
Energy: 1.2298229562656458
Energy: 1.2282945656094806
Energy: 1.229822956265824
Energy: 1.542157834320763
Energy: 1.229891550569069
Energy: 1.2277780536860858
Energy: 1.2298915505696701
Energy: 1.2675515821687444
Energy: 1.3471938789455822
Energy: 1.497898683110878
Energy: 1.347193878945382
Energy: 1.4022719524925564
Energy: 1.3689424431471828
Energy: 1.4998760128737447
Energy: 1.3689424431469823
Energy: 1.5856711646896906
Energy: 1.2241691786095588
Energy: 1.369914699526205
Energy: 1.2241691786103384
Energy: 1.7204062498086488
Energy: 1.3031319689443743
Energy: 1.2892001100797459
Energy: 1.3031319689431942

minimum gb energy = 1.1330977578428794 eV
minimum distance =  2.28303555848724 Angstroms
sigma value = 25


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

Energy: 1.9685854786957724
Energy: 1.2819111690554585
Energy: 1.314416133860921
Energy: 1.2769397189137646
Energy: 1.4176466400471897
Energy: 1.2645715281550656
Energy: 1.245860507440589
Energy: 1.2645715281550656
Energy: 1.2785391384745544
Energy: 1.2009775278238612
Energy: 1.2653610558101975
Energy: 1.2009775278238612
Energy: 1.1954434279787836
Energy: 1.2034135508173036
Energy: 1.1425049146642943
Energy: 1.2034135508173036
Energy: 1.1425137504343326
Energy: 1.1741553034362577
Energy: 1.3122700818596598
Energy: 1.1741553034347276
Energy: 1.1469190484527043
Energy: 1.1508664705908898
Energy: 1.2169389393293963
Energy: 1.1508664705908898
Energy: 1.1413426950406482
Energy: 1.1479247544161342
Energy: 1.0987305829834626
Energy: 1.1479247544176643
Energy: 1.1137188714243844
Energy: 1.2720451331776408
Energy: 1.1065399624193817
Energy: 1.2720451331776408
Energy: 1.0950439680207107
Energy: 1.1284328838122268
Energy: 1.1250492855253764
Energy: 1.128432883810697
Energy: 1.1007883400850826
Energy: 1.131346927717039
Energy: 1.1655382350473613
Energy: 1.131346927717039
Energy: 1.0773911988118214
Energy: 1.3181165260034293
Energy: 1.1740397994834983
Energy: 1.3181165260034293
Energy: 1.1178012575550047
Energy: 1.13882075117678
Energy: 1.0884702117400125
Energy: 1.13882075117678
Energy: 1.163687501503966
Energy: 1.1090611741517784
Energy: 1.0841950475020974
Energy: 1.1090611741517784
Energy: 1.1692887263919487
Energy: 1.0498290604195004
Energy: 1.0576230466141585
Energy: 1.0498290604195004
Energy: 1.1274010308882234
Energy: 1.0960313780726003
Energy: 1.1394313648621486
Energy: 1.0960313780726003
Energy: 1.1167001325425794
Energy: 1.098680367464445
Energy: 1.1493432677594189
Energy: 1.098680367464445
Energy: 1.083428259262522
Energy: 1.061007034724325
Energy: 1.1766137020807244
Energy: 1.061007034724325
Energy: 1.0759355092330851
Energy: 1.1215126481650854
Energy: 1.122763918275685
Energy: 1.1215126481650854
Energy: 1.162545782616042
Energy: 1.1505896248804628
Energy: 1.1956522854698581
Energy: 1.1505896248804628
Energy: 1.231416246551044
Energy: 1.206244075979142
Energy: 1.1636572427816452
Energy: 1.206244075979142
Energy: 1.8248868680956414
Energy: 1.2039886055689974
Energy: 1.1132797307044882
Energy: 1.2039886055689974
Energy: 1.2312972560608706
Energy: 1.2031405132293558
Energy: 1.278360413131757
Energy: 1.2031405132293558
Energy: 1.3292093146967892
Energy: 1.2286852225372893
Energy: 1.3579891626938903
Energy: 1.2286852225372893
Energy: 1.3191564720216367
Energy: 1.4334247290126212
Energy: 1.2417041317389745
Energy: 1.433424729014151
Energy: 1.4171270644904235
Energy: 1.206971631517759
Energy: 1.5259757670550398
Energy: 1.206971631519289
Energy: 1.3177272101268862
Energy: 1.1492793095483262
Energy: 1.157655600388365
Energy: 1.1492793095498217

minimum gb energy = 1.0498290604195004 eV
minimum distance =  2.26674817885569 Angstroms
sigma value = 41


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

Energy: 2.0459802752834872
Energy: 1.2201697713052737
Energy: 1.245786063872586
Energy: 1.1618143631112576
Energy: 1.343263750863267
Energy: 1.1298138902484924
Energy: 1.2440116559237682
Energy: 1.1298138902447294
Energy: 1.1350166093335958
Energy: 1.044874705050864
Energy: 1.2262313598696706
Energy: 1.0448747050421408
Energy: 1.0991470968982244
Energy: 1.1030937867981114
Energy: 1.0929577128827068
Energy: 1.1030937868119093
Energy: 0.9971053477347134
Energy: 1.1522159512505872
Energy: 1.2518681702097156
Energy: 1.1522159512480783
Energy: 1.1318915758809784
Energy: 1.007022833327605
Energy: 1.1676815097257067
Energy: 1.0070228333326225
Energy: 1.0977725092540749
Energy: 1.0522726535498672
Energy: 1.0567311534194348
Energy: 1.0522726535511215
Energy: 1.112179018169992
Energy: 1.1078814250057025
Energy: 1.0600611225009864
Energy: 1.107881425006957
Energy: 1.002664372011679
Energy: 1.0218938922867615
Energy: 1.0419737921868861
Energy: 1.0218938922855072
Energy: 1.0334644248836913
Energy: 1.045755737736233
Energy: 1.054167474231134
Energy: 1.045755737736233
Energy: 1.007020074429361
Energy: 1.0671338429736816
Energy: 1.0587957009418134
Energy: 1.0671338429736816
Energy: 1.0235051335979906
Energy: 1.0105540007850353
Energy: 1.013347276699478
Energy: 1.0105540007850353
Energy: 1.107027346369634
Energy: 1.0188179647339133
Energy: 1.0328976149017928
Energy: 1.0188179647339133
Energy: 1.0770777160254497
Energy: 1.0071531131172047
Energy: 0.9854968132659611
Energy: 1.0071531131159501
Energy: 1.0660409209387436
Energy: 1.036728940458539
Energy: 1.0512654665922587
Energy: 1.0367289404597935
Energy: 1.0123855426949235
Energy: 1.0369378117413965
Energy: 1.0712288170995907
Energy: 1.0369378117413965
Energy: 0.9964266715026999
Energy: 1.0379245400341428
Energy: 1.0833507168576244
Energy: 1.0379245400353971
Energy: 1.115473593577364
Energy: 1.0391730239696508
Energy: 1.034924982355599
Energy: 1.0391730239683965
Energy: 1.0567830409632135
Energy: 1.0193303209676035
Energy: 1.0325568998197872
Energy: 1.0193303209663491
Energy: 1.072119450704375
Energy: 0.9852388137639331
Energy: 1.0021116798561225
Energy: 0.9852388137639331
Energy: 1.0711452586438974
Energy: 1.0006781904418902
Energy: 1.1000228755131292
Energy: 1.0006781904418902
Energy: 1.0751865336304278
Energy: 1.0101741434661418
Energy: 1.1045908961895874
Energy: 1.0101741434648874
Energy: 1.0109912265953471
Energy: 1.0440712540684567
Energy: 1.1259411671490942
Energy: 1.0440712540709653
Energy: 1.0311044795384294
Energy: 1.0380589936408884
Energy: 1.0678752047995026
Energy: 1.0380589936396338
Energy: 1.1671865961011714
Energy: 1.0713709893941439
Energy: 1.1918059435178194
Energy: 1.0713709893941439
Energy: 1.2234423970214683
Energy: 1.0549887015446686
Energy: 1.0697045557104248
Energy: 1.0549887015446686
Energy: 1.185863363918403
Energy: 1.1034555832199548
Energy: 1.1767609207852365
Energy: 1.1034555832199548
Energy: 1.1620851024830363
Energy: 1.1121564371011765
Energy: 1.2229378862751112
Energy: 1.1121564371011765
Energy: 1.1433341375954729
Energy: 1.1193865073182327
Energy: 1.2352891005129945
Energy: 1.1193865073182327
Energy: 1.131531240040387
Energy: 1.0698106654260517
Energy: 1.1316317010012684
Energy: 1.0698106654260517
Energy: 1.325046150080851
Energy: 1.0009159911823993
Energy: 1.183500215203515
Energy: 1.0009159911911798
Energy: 1.2725248678370067
Energy: 1.080396131714749
Energy: 1.1739054454821023
Energy: 1.0803961317134947

minimum gb energy = 0.9852388137639331 eV
minimum distance =  2.27898557307841 Angstroms
sigma value = 15


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

Energy: 1.8652923254910816
Energy: 1.1172973911235045
Energy: 1.1319234090783075
Energy: 1.0666824982484042
Energy: 1.187539305527927
Energy: 1.0509622653470752
Energy: 1.152719939907938
Energy: 1.05096226534495
Energy: 1.1158534403550882
Energy: 1.036781285700912
Energy: 1.1363584382917178
Energy: 1.0367812856966616
Energy: 1.0166141720703483
Energy: 1.0503607378763473
Energy: 1.1417743922594994
Energy: 1.05036073787741
Energy: 1.077023024803643
Energy: 1.0873636893023213
Energy: 1.1490893941748532
Energy: 1.0873636893023213
Energy: 1.0644651296140633
Energy: 0.9969411009911742
Energy: 1.076109049095768
Energy: 0.9969411009762977
Energy: 1.004757201597856
Energy: 0.9758651392038044
Energy: 0.9744083374785562
Energy: 0.9758651392069921
Energy: 1.0246064828230539
Energy: 1.0408284374249064
Energy: 1.0210508930237636
Energy: 1.040828437420656
Energy: 0.937964739229597
Energy: 0.9506299640366416
Energy: 1.0048930744831914
Energy: 0.9506299640366416
Energy: 0.9596606175135698
Energy: 0.9597024660254772
Energy: 1.0141436444031426
Energy: 0.9597024660254772
Energy: 0.9724688190758949
Energy: 0.9631442639896327
Energy: 1.0811704056425633
Energy: 0.9631442639896327
Energy: 0.9898355227189138
Energy: 0.9203132895613744
Energy: 0.9355086522037974
Energy: 0.9203132895613744
Energy: 1.0217269138157372
Energy: 0.9576552309675953
Energy: 0.9652376617696627
Energy: 0.9576552309665328
Energy: 0.9839312563301995
Energy: 0.9214110915129864
Energy: 0.9434972106834348
Energy: 0.9214110915129864
Energy: 0.9989991281101599
Energy: 0.923915886849031
Energy: 0.975613269550133
Energy: 0.9239158868469058
Energy: 0.9401813263054891
Energy: 0.9673583396955712
Energy: 1.0131107467540221
Energy: 0.9673583396955712
Energy: 0.9368777766657876
Energy: 0.9735360174410268
Energy: 0.9959858224845136
Energy: 0.973536017443152
Energy: 0.9875038542416265
Energy: 0.9085851007250667
Energy: 0.9488733388777065
Energy: 0.9085851007261294
Energy: 0.9928831415502304
Energy: 0.9214816849209874
Energy: 0.915224106401514
Energy: 0.9214816849379408
Energy: 1.0211666087135092
Energy: 1.0000700678709682
Energy: 0.9379642297704072
Energy: 1.000070067872031
Energy: 0.9827829906993891
Energy: 0.9454297652758717
Energy: 0.9961837342161447
Energy: 0.945429765277997
Energy: 0.9632020065990334
Energy: 0.9222020562280485
Energy: 1.026255123313529
Energy: 0.9222020562291112
Energy: 0.9372659085693248
Energy: 0.9673219812058977
Energy: 1.1004663265513945
Energy: 0.9673219812058977
Energy: 0.9606508443163269
Energy: 0.9496881063698827
Energy: 0.98744434278901
Energy: 0.9496881063709451
Energy: 1.0277340088230213
Energy: 0.9338280014042278
Energy: 0.989100850745014
Energy: 0.9338280014042278
Energy: 1.0296675114585276
Energy: 0.961127380460444
Energy: 0.9332844825200378
Energy: 0.9611273804593815
Energy: 1.0112075236185338
Energy: 0.9256859648118558
Energy: 1.0133666557795125
Energy: 0.9256859648118558
Energy: 1.0367528719057522
Energy: 0.9763937252837185
Energy: 1.0263588900288632
Energy: 0.9763937253039082
Energy: 0.9686345825422401
Energy: 0.9946892297216856
Energy: 1.0734429548528195
Energy: 0.994689229720623
Energy: 0.9884739116489856
Energy: 0.9947415882856958
Energy: 1.0730626271687882
Energy: 0.9947415882856958
Energy: 1.0715738720830157
Energy: 1.0503586237484515
Energy: 1.1359561139191336
Energy: 1.0503586237484515
Energy: 1.07267723243311
Energy: 1.0515928856284364
Energy: 1.017210158911195
Energy: 1.0515928856284364
Energy: 1.068268421915375
Energy: 1.0352710909234026
Energy: 1.0303669057947387
Energy: 1.0352710909212772
Energy: 1.0766478550509475
Energy: 1.0975356092190298
Energy: 1.286657754723785
Energy: 1.0975356092169046
Energy: 1.1270992591518951
Energy: 1.1166557612841113
Energy: 1.1269977782569702
Energy: 1.1166557612862364
Energy: 1.086713022387369
Energy: 1.0321204462654068
Energy: 1.144646900112235
Energy: 1.032120446264344
Energy: 1.1437275864955947
Energy: 1.049220147679985
Energy: 1.1196524798338732
Energy: 1.0492201476789225

minimum gb energy = 0.9085851007250667 eV
minimum distance =  2.3129000668881 Angstroms
sigma value = 85


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

Energy: 1.8492607762742521
Energy: 1.006074347462066
Energy: 0.9826248838010152
Energy: 0.9364074047454786
Energy: 1.0442992954979307
Energy: 0.891764438976706
Energy: 0.9694729857221519
Energy: 0.8917644389702548
Energy: 0.9501135551623344
Energy: 0.8695052849825293
Energy: 0.9963269007252497
Energy: 0.8695052849825293
Energy: 0.900007267328359
Energy: 0.8763705748507796
Energy: 1.0034175910719065
Energy: 0.8763705748507796
Energy: 0.906536394351112
Energy: 0.9191810112225539
Energy: 0.9718987823118493
Energy: 0.9191810112225539
Energy: 0.9046830090988347
Energy: 0.8314578080024734
Energy: 0.8366980164010326
Energy: 0.8314578080024734
Energy: 0.9183398635277311
Energy: 0.848356706881456
Energy: 0.867317280438005
Energy: 0.848356706881456
Energy: 0.8696750778866786
Energy: 0.9049848233704537
Energy: 0.9123633774615756
Energy: 0.9049848233704537
Energy: 0.8397088009270736
Energy: 0.8451722827368823
Energy: 0.9239605581111235
Energy: 0.8451722827368823
Energy: 0.8668030634979201
Energy: 0.8586750729443885
Energy: 0.9110335068726118
Energy: 0.8586750729443885
Energy: 0.9044967958859909
Energy: 0.8338535830313835
Energy: 0.8779057585508943
Energy: 0.8338535830304619
Energy: 0.9304375912922412
Energy: 0.8258484609268137
Energy: 0.8484647944797936
Energy: 0.8258484609268137
Energy: 0.8972749525220055
Energy: 0.8617579229695824
Energy: 0.8797176821469918
Energy: 0.8617579229695824
Energy: 0.8911501104549515
Energy: 0.8354125621546231
Energy: 0.883255412259257
Energy: 0.8354125621555447
Energy: 0.8937555217591361
Energy: 0.8266442430376082
Energy: 0.9148260564163457
Energy: 0.8266442430376082
Energy: 0.870012300051728
Energy: 0.8581774099627505
Energy: 0.9071760563227071
Energy: 0.8581774099618289
Energy: 0.8735681255796944
Energy: 0.838925977461308
Energy: 0.9089371256189314
Energy: 0.8389259774631512
Energy: 0.908679301730985
Energy: 0.827816921475242
Energy: 0.9299852559443287
Energy: 0.827816921475242
Energy: 0.9328935463250613
Energy: 0.846662712402058
Energy: 0.85020189072935
Energy: 0.846662712402058
Energy: 0.9250609749611743
Energy: 0.841353967040476
Energy: 0.8828734244411947
Energy: 0.841353967040476
Energy: 0.9117499935247739
Energy: 0.8599087561794544
Energy: 0.9378593287817595
Energy: 0.8599087561794544
Energy: 0.8507237205186631
Energy: 0.871818466472032
Energy: 0.9190800999697784
Energy: 0.871818466472032
Energy: 0.9398848222240231
Energy: 0.847898543005419
Energy: 0.942945334615058
Energy: 0.847898543005419
Energy: 0.9165164509629622
Energy: 0.838505529515341
Energy: 0.908536778432022
Energy: 0.8385055295162626
Energy: 0.9075037715734483
Energy: 0.8504177562927844
Energy: 0.8565049374397248
Energy: 0.8504177562946276
Energy: 0.9088650153304538
Energy: 0.8681849515998714
Energy: 0.9225776391816237
Energy: 0.8681849515998714
Energy: 0.9153081039514872
Energy: 0.8356640578588226
Energy: 0.891965248308984
Energy: 0.8356640578597444
Energy: 0.8660217117799386
Energy: 0.8906566699690434
Energy: 0.8955313225686995
Energy: 0.8906566699690434
Energy: 0.9040218854190015
Energy: 0.8179161156620802
Energy: 0.9332385381807297
Energy: 0.8179161156630017
Energy: 0.8783239234119323
Energy: 0.8346160989385485
Energy: 0.9191526234704568
Energy: 0.8346160989385485
Energy: 0.8804045961085941
Energy: 0.7836375381549325
Energy: 0.8927877280405322
Energy: 0.7836375382802077
Energy: 0.912943976437176
Energy: 0.8098426829472885
Energy: 0.8595656869504505
Energy: 0.8098426829463669
Energy: 0.9505601645909915
Energy: 0.8456399170673233
Energy: 0.8446329766114112
Energy: 0.8456399170664016
Energy: 0.847241359950693
Energy: 0.7990203453237759
Energy: 0.9190376933659953
Energy: 0.7990203453246975
Energy: 0.8730759622441461
Energy: 0.8602957028360563
Energy: 0.9259123732152628
Energy: 0.8602957028369778
Energy: 0.8784272084899237
Energy: 0.8369787971095031
Energy: 0.8451198428564553
Energy: 0.8369787971085815
Energy: 0.9779142486708683
Energy: 0.8964240584840671
Energy: 0.9707721440439424
Energy: 0.8964240584849887
Energy: 0.9746485378919084
Energy: 0.8772456751989882
Energy: 0.9659044795578469
Energy: 0.8772456751906936
Energy: 0.902846319726451
Energy: 0.8979825776335105
Energy: 0.8567390891187029
Energy: 0.8979825776335105
Energy: 0.8380995815150681
Energy: 0.9039500884890905
Energy: 1.0126483027238824
Energy: 0.9039500884890905
Energy: 1.0272041383563262
Energy: 0.8846922570415425
Energy: 1.0146663722325597
Energy: 0.884692257040621
Energy: 0.929504835726635
Energy: 0.9024427655348097
Energy: 0.9509583104193603
Energy: 0.902442765536653
Energy: 1.031980108127069
Energy: 0.8627629675161834
Energy: 0.8486464323277447
Energy: 0.8627629675161834

minimum gb energy = 0.7836375381549325 eV
minimum distance =  2.26846714809917 Angstroms
sigma value = 113


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

Energy: 0.014918489113446102
Energy: 0.11424385015341733
Energy: 0.8829769186879018
Energy: 0.01508370433041958
Energy: 0.08182383941475846
Energy: 0.11435378477420284
Energy: 0.08213169381804868
Energy: 0.11435378477420284
Energy: 0.0794685227949402
Energy: 0.11486137697167254
Energy: 0.015577341171636384
Energy: 0.11486137697167254
Energy: 0.08035927384210949
Energy: 0.1150915646023335
Energy: 0.016768621690396595
Energy: 0.11509156460091653
Energy: 0.08128837554805227
Energy: 0.11417078494506405
Energy: 0.08058644051344635
Energy: 0.11417078494506405
Energy: 0.01580542072195264
Energy: 0.11502808426800044
Energy: 0.07983638369803375
Energy: 0.11502808427008653

minimum gb energy = 0.014918489113446102 eV
minimum distance =  2.45089870275968 Angstroms
sigma value = 1