Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.140962809324265
cohesive_energy=6.754333578238715
mass=95.95
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=[2.3874835111551e-19, 3.54427106266944e-19, 4.486591249956539e-19, 5.29122037731768e-19, 5.9935825701305995e-19, 6.6148586034967785e-19, 7.168715044104239e-19, 7.6644124728975e-19, 8.1092247717949195e-19, 8.508679450183799e-19, 8.86681399318182e-19, 9.1871211458511e-19, 9.472484826132838e-19, 9.72535636427706e-19, 9.94781858990796e-19, 1.014173002792098e-18, 1.030862876788476e-18, 1.04498766599382e-18, 1.056669135832314e-18, 1.0660162343150699e-18, 1.073150726866272e-18, 1.07815272231762e-18, 1.081107136030716e-18, 1.08207805507092e-18, 1.0810222206691138e-18, 1.0775823474359158e-18, 1.071288997617564e-18, 1.061573398508988e-18, 1.047754625040738e-18, 1.02901396495284e-18, 1.004322820846266e-18, 9.72426688416594e-19, 9.3177786503538e-19, 8.804745670380659e-19, 8.161055185904819e-19, 7.355977449086159e-19, 6.35056354595214e-19, 5.09471341315758e-19, 3.5232344834650196e-19, 1.550224454465916e-19, -9.382698847563479e-20, -4.0978391114827794e-19, -8.142069392791919e-19, -1.3370292184860717e-18, -2.0210977584919797e-18, -2.92962804056802e-18, -4.157920735257779e-18, -5.855026334822279e-18, -8.26367459931252e-18, -1.179924584285934e-17, -1.7216990108963997e-17, -2.6003807422810197e-17, -4.1407454017412994e-17, -7.165206277275779e-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: 0.017252204110470404
Energy: -1.674229069767064
Energy: -0.7265778637489391
Energy: 0.017686206058826034
Energy: -1.6899011496489762
Energy: -2.73011027260953
Energy: -1.695135451948708
Energy: -2.73011027260953
Energy: -0.7802935061162346
Energy: -1.6844770405573155
Energy: -0.917049897387318
Energy: -1.6973437511215754
Energy: 0.017686206057995212
Energy: -2.730110272608699
Energy: -1.685145506934714
Energy: -2.73011027260953

minimum gb energy = -2.73011027260953 eV
minimum distance =  2.7611665501054 Angstroms
sigma value = 1


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

Energy: 2.384842010038354
Energy: 0.9471227479368625
Energy: 0.9439047169292375
Energy: 1.3694698642421679
Energy: 2.824755921249846
Energy: 0.9487521315286913
Energy: 0.9553355943293574
Energy: 0.9487521316928399
Energy: 2.6456433780468833
Energy: 0.9460965447657737
Energy: 0.9557401252884256
Energy: 0.9460965447808877
Energy: 2.7736125376544463
Energy: 0.952564926223588
Energy: 0.9474368812080501
Energy: 0.952564926210489
Energy: 2.0091303672915637
Energy: 0.9565558115634721
Energy: 1.192407531568063
Energy: 0.9565558113912628
Energy: 2.802591147200453
Energy: 0.9409008558431748
Energy: 1.349015126306168
Energy: 0.9409008558441825
Energy: 2.147465287862295
Energy: 0.9480399178253062
Energy: 1.3365002528980554
Energy: 0.9480399178212757
Energy: 2.1205171836421584
Energy: 0.9403329683476801
Energy: 1.376536516533387
Energy: 0.9403329695723827
Energy: 1.6525093988813975
Energy: 1.0134630635842523
Energy: 1.3386239330715528
Energy: 1.0134630635913053
Energy: 2.102104703937245
Energy: 1.0687557506025163
Energy: 2.1220890533022057
Energy: 1.0687557506015086
Energy: 1.9345309576496423
Energy: 0.9415178693830789
Energy: 1.8657781436081253
Energy: 0.9415178693901322
Energy: 1.3590930994687362
Energy: 0.9378563037723746
Energy: 2.1232460731337497
Energy: 0.9378563037804356
Energy: 1.355637108675847
Energy: 0.9423131365831173
Energy: 2.1111443832842527
Energy: 0.9423131362255536
Energy: 1.3621084833164203
Energy: 0.9458731206178684
Energy: 2.761480466760219
Energy: 0.9458731205473818
Energy: 1.2943597955378945
Energy: 0.9569790529262503
Energy: 2.345374652270295
Energy: 0.9569790529161741
Energy: 0.9458079713315368
Energy: 0.9481722731714588
Energy: 2.772576290312324
Energy: 0.94817227318955
Energy: 0.9611750140838393
Energy: 0.9441435770291213
Energy: 2.7962378740250537
Energy: 0.9441435769203456
Energy: 0.9487820937877102
Energy: 0.947089702075121
Energy: 2.831469478494709
Energy: 0.9470897020610601
Energy: 0.9571100217164263
Energy: 0.9572820522313835
Energy: 2.5073285181639413
Energy: 0.9572820522061932
Energy: 1.0856577359078556
Energy: 0.945360607059929
Energy: 2.7870533048064834
Energy: 0.9453606070619441
Energy: 1.0938990018289017
Energy: 0.9495044330388968
Energy: 2.5842276628420953
Energy: 0.9495044330388968
Energy: 1.097333175640094
Energy: 0.9478409772164784
Energy: 2.549802656401317
Energy: 0.9478409772104328
Energy: 1.0884105156005928
Energy: 0.9492909901710301
Energy: 2.1040019152550014
Energy: 0.949290990165992
Energy: 1.6432040199826152
Energy: 0.9505444007495619
Energy: 2.6013438322437614
Energy: 0.9505444007475466
Energy: 1.6157036436206667
Energy: 1.0748095336424683
Energy: 1.9371657986727855
Energy: 1.0748095335488066
Energy: 1.7150546290161923
Energy: 1.0691982227782801
Energy: 1.6968971264529813
Energy: 1.0691982227752572
Energy: 1.6800347133674178
Energy: 1.0374147984425177
Energy: 1.6978718866492575
Energy: 1.0374147984364719
Energy: 2.5245698267725283
Energy: 0.9490185356378324
Energy: 1.6755089073487568
Energy: 0.9490185357365323
Energy: 2.3654425185759362
Energy: 0.9278661482141994
Energy: 1.666598117902067
Energy: 0.9278661308779257
Energy: 2.3247207545690673
Energy: 0.8873589640747155
Energy: 1.0810577757838524
Energy: 0.8873589640868069
Energy: 2.5560576582117944
Energy: 0.9481020287234315
Energy: 1.2666365422510204
Energy: 0.948102028724439
Energy: 2.7746717921279513
Energy: 0.9416085645994839
Energy: 1.088332458811641
Energy: 0.9416085645813927
Energy: 2.7588777127211572
Energy: 0.9590598100945087
Energy: 1.080053375461054
Energy: 0.9590598100713338

minimum gb energy = 0.8873589640747155 eV
minimum distance =  2.59863302579349 Angstroms
sigma value = 1


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

Energy: 4.005334310569353
Energy: 1.069720699348187
Energy: 1.0688718787245455
Energy: 1.0159524469247196
Energy: 2.656073651910146
Energy: 1.05505440171363
Energy: 1.0760541406590811
Energy: 1.05505440292055
Energy: 2.720141801368545
Energy: 1.0633214569885978
Energy: 1.0628311039883465
Energy: 1.0633214569920444
Energy: 2.7153955050636256
Energy: 1.0625895456935333
Energy: 1.0743840187201696
Energy: 1.0625895456889378
Energy: 2.1018905850066845
Energy: 0.9932106645621934
Energy: 1.4185101047037874
Energy: 0.9931763616820063
Energy: 2.685710102223649
Energy: 1.05950069840716
Energy: 1.4126793706042684
Energy: 1.059500698386533
Energy: 2.227436976189398
Energy: 1.15002435261345
Energy: 1.4261312258654042
Energy: 1.1500229258564925
Energy: 2.222077331746588
Energy: 1.0611452786340838
Energy: 1.4275156936863789
Energy: 1.0611452788166464
Energy: 2.1696769529365207
Energy: 1.0619845719374168
Energy: 1.7855947876659939
Energy: 1.0619845719374168
Energy: 2.2307386054379665
Energy: 1.2195053055332858
Energy: 2.2198530399729637
Energy: 1.219505305545871
Energy: 1.7585171619609954
Energy: 1.063241150994856
Energy: 1.6585693141365614
Energy: 1.0632411510006001
Energy: 1.384019165130517
Energy: 1.0691636188674247
Energy: 1.6504071761921302
Energy: 1.069163618865127
Energy: 1.4128701786350095
Energy: 1.2277294362672053
Energy: 2.15553221179737
Energy: 1.227729436270652
Energy: 1.3702740143714833
Energy: 1.0134042431826105
Energy: 2.696451903610112
Energy: 1.013404555732237
Energy: 1.4219816678277901
Energy: 1.0110963494251004
Energy: 2.603036184776447
Energy: 1.0111308193808113
Energy: 1.0642009267069479
Energy: 1.0747646330543725
Energy: 2.555172198578819
Energy: 1.0747646330520748
Energy: 0.9182954969489483
Energy: 1.069752791996572
Energy: 2.664475915029524
Energy: 1.0697527919954233
Energy: 1.0666750854892744
Energy: 1.0702734419620679
Energy: 2.7099971261794398
Energy: 1.0702734419620679
Energy: 1.0698005535514454
Energy: 1.0693036414891852
Energy: 2.0934696180107455
Energy: 1.0693036414834407
Energy: 1.360911991909621
Energy: 1.0681402698414928
Energy: 2.7024745764941813
Energy: 1.0681402698587255
Energy: 1.3218511835318036
Energy: 1.04384968096565
Energy: 2.6276766088901407
Energy: 1.043849674462581
Energy: 1.420128799321662
Energy: 1.0534986435824045
Energy: 2.1400230386683896
Energy: 1.053498643585851
Energy: 1.4179718754465769
Energy: 1.060279685353357
Energy: 2.1716758008321118
Energy: 1.0602796853545058
Energy: 2.229950065742592
Energy: 1.2206469718325843
Energy: 2.1866224678545914
Energy: 1.220646971847519
Energy: 1.580260954342737
Energy: 1.0615706773341655
Energy: 1.722033695801692
Energy: 1.0615706773353146
Energy: 1.6007824505879338
Energy: 1.0470902596128762
Energy: 1.4114558866620401
Energy: 1.047090259271824
Energy: 2.111866758633468
Energy: 1.2327422931367762
Energy: 1.4323684870905562
Energy: 1.2327422931321808
Energy: 2.719389711240611
Energy: 1.0757316612159848
Energy: 1.4028275325035267
Energy: 1.0757316611562444
Energy: 2.6123276361320067
Energy: 1.0681671428201642
Energy: 1.3877286851993307
Energy: 1.0681671428247597

minimum gb energy = 0.9182954969489483 eV
minimum distance =  2.60408026744718 Angstroms
sigma value = 25


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

Energy: 2.4079852902005343
Energy: 1.1094856146899583
Energy: 1.0060054905501137
Energy: 1.0722719044373337
Energy: 2.3437539743282523
Energy: 1.0576047204345407
Energy: 1.0625221571808008
Energy: 1.0576047060521414
Energy: 2.259086764160798
Energy: 1.0323116047391174
Energy: 0.9969959839908852
Energy: 1.032311655016188
Energy: 2.234182565576431
Energy: 1.0472617527068673
Energy: 1.056200825888844
Energy: 1.047261536058904
Energy: 1.949791902162624
Energy: 1.1390475485419178
Energy: 1.3189619928004235
Energy: 1.1390475485766105
Energy: 2.231012264360828
Energy: 1.0183568106041998
Energy: 1.6592253986818575
Energy: 0.7962563438116126
Energy: 1.8380850186924715
Energy: 0.9764522043010194
Energy: 1.7352866863745908
Energy: 0.9892838951094652
Energy: 1.7180880158138958
Energy: 1.2490467991855791
Energy: 1.6559343523464451
Energy: 1.2490191677193303
Energy: 1.636006373326726
Energy: 1.2159383026021997
Energy: 1.687973206159098
Energy: 1.2159383024593606
Energy: 1.629575505697094
Energy: 1.1297482050664251
Energy: 2.326190448130613
Energy: 1.1297482040812727
Energy: 1.340883342664879
Energy: 1.078341998866613
Energy: 2.1253465530693822
Energy: 1.0783419945948878
Energy: 1.1083445947556951
Energy: 1.0661537191936097
Energy: 2.297226278644371
Energy: 1.0663344894366598
Energy: 0.9958439213810705
Energy: 1.1190475020440729
Energy: 2.201889128403914
Energy: 1.1190475020227046
Energy: 1.119042875531764
Energy: 1.1254955457045577
Energy: 2.2137560654396027
Energy: 1.1254955456404836
Energy: 1.100677389824842
Energy: 1.088520776097848
Energy: 1.9746764337486087
Energy: 1.0885207760217845
Energy: 1.2092685243567578
Energy: 0.9341220803492115
Energy: 2.1900925527256674
Energy: 0.8671226059050079
Energy: 1.2728886422250323
Energy: 1.0872263968328124
Energy: 2.322336474116327
Energy: 1.087226396469705
Energy: 1.253021352613533
Energy: 0.9816934762490318
Energy: 2.1065398708329806
Energy: 1.0357241119605047
Energy: 1.1741175454463253
Energy: 1.1505139152645876
Energy: 1.704071350215152
Energy: 1.1505139152592454
Energy: 2.0777337489242744
Energy: 1.2179460132624982
Energy: 2.1098087688892804
Energy: 1.217945487271098
Energy: 1.8735734865455762
Energy: 1.0443990058427408
Energy: 1.9919636979403788
Energy: 1.0443990058187016
Energy: 1.8954764475974226
Energy: 1.089009849417665
Energy: 1.4101404489091767
Energy: 1.0890098488983937
Energy: 2.1162185650066645
Energy: 1.1445778943905935
Energy: 1.2594169002291504
Energy: 1.1445778943959357
Energy: 2.198604355356692
Energy: 0.8859217461889158
Energy: 1.1997499080455423
Energy: 0.8469294189211475
Energy: 2.000947684799411
Energy: 1.1007138611422715
Energy: 1.2472630615421445
Energy: 1.1007145962527178

minimum gb energy = 0.7962563438116126 eV
minimum distance =  2.61090169091112 Angstroms
sigma value = 9


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

Energy: 3.4540489576188564
Energy: -0.8231816624093286
Energy: -0.7942836635539076
Energy: -0.10408144411904358
Energy: 0.4307060771760607
Energy: 1.1968413013261512
Energy: -0.6564436823812759
Energy: 1.1909255136873529
Energy: 0.31839949012776725
Energy: -0.7522092141773049
Energy: -0.805226451100859
Energy: -0.6913985704853859
Energy: 0.6060782750384142
Energy: -0.5686529678557164
Energy: -0.7008428069628816
Energy: -0.7135522376502473
Energy: 0.17303209724581317
Energy: -0.6084668484933518
Energy: -0.8704488818524011
Energy: -0.9413441118907596
Energy: 0.48959641084969374
Energy: -0.6566162148653566
Energy: -0.1538283168434977
Energy: -0.7731591487923953
Energy: 0.420196259277183
Energy: -0.6018152144155623
Energy: -1.3925284606747372
Energy: -0.5117356899732121
Energy: 1.356949442709917
Energy: -0.7776096424648741
Energy: 0.801319401850913
Energy: -0.6315194836728878
Energy: 1.2798529357455888
Energy: -0.7527856251869014
Energy: 0.005886773970515624
Energy: -0.752289668471685
Energy: -0.0737787715015274
Energy: -0.7406244105398064
Energy: 0.5052892770534044
Energy: -0.9190372661573611
Energy: -0.2201307329330082
Energy: 0.877994214356344
Energy: 1.948136961691181
Energy: 0.9650276846025663
Energy: -0.6799235689075493
Energy: -0.537714142883361
Energy: 1.9296341905991843
Energy: -0.742483247369584
Energy: -0.8050450370300192
Energy: -0.6449715021490532
Energy: 0.3865662762740878
Energy: -0.6958958493075725
Energy: 1.125866226145103
Energy: 1.008596485549902
Energy: 0.5326681132945477
Energy: 0.8455010903450104
Energy: -0.5889216040128857
Energy: 1.1214286602805266
Energy: 0.20258598300302522
Energy: 0.9351021810705148
Energy: -0.28330082504431037
Energy: -0.631495803143524
Energy: 0.38887800026517877
Energy: -0.8169703056725462
Energy: -1.4410494132605731
Energy: -0.869756003302985
Energy: 0.4909350410373711
Energy: -0.6341746020679558
Energy: -1.3902884118630061
Energy: -0.5853046450323288
Energy: 0.18309588376035627
Energy: -0.5698888729273944
Energy: -0.060163052890711596
Energy: -0.7940335859915121
Energy: 1.5825233612606846
Energy: -0.6425114583976571
Energy: 0.6295558310094438
Energy: -0.6283397929030411
Energy: 1.3057265256596642
Energy: -0.7315104388313998
Energy: 2.006981742177053
Energy: -0.6906075454122949
Energy: -0.1939016584372776
Energy: -0.7624421599395521

minimum gb energy = -1.4410494132605731 eV
minimum distance =  2.62994680835662 Angstroms
sigma value = 25


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

Energy: 1.301089598842978
Energy: 1.569989847126001
Energy: 1.5959295276297532
Energy: -1.9941550243435258
Energy: 1.349916025995028
Energy: 1.3741853520514813
Energy: 1.4241560083936982
Energy: 1.3023506960815385
Energy: -0.6828673068539939
Energy: 1.3849454136507986
Energy: 1.4670905745597784
Energy: 1.385144793249188
Energy: 1.465799064346952
Energy: 1.5864580368963903
Energy: 1.3647933530407599
Energy: 1.586458036939736
Energy: 1.5016606008991036
Energy: 1.6762973088689237
Energy: 1.5757315052995842
Energy: 1.6763035533232968
Energy: 1.4638475813628231
Energy: 1.5766072329149243
Energy: 1.4211452294796025
Energy: 1.5766072428445557
Energy: 1.440434493000534
Energy: 1.677640349454873
Energy: 1.55179276157562
Energy: 1.6776401604979998
Energy: 1.3467710101800423
Energy: 1.424509944820513
Energy: 1.526940884009588
Energy: 1.4245099337289195
Energy: 1.5113066213581887
Energy: 1.4816428552185794
Energy: 1.3562118042987883
Energy: 1.4816428530286323
Energy: 1.3633801776544356
Energy: 1.3033397523451111
Energy: 1.4575573494165635
Energy: 1.310512628148816
Energy: 1.5757585375804914
Energy: 1.5285572466361386
Energy: 1.3225208149095924
Energy: 1.5283493095727845
Energy: -0.7295746310730151
Energy: 1.4399332986591051
Energy: 1.3327899851383513
Energy: 1.402057298473006
Energy: 1.5844347186813363
Energy: 1.4732503902609273
Energy: 1.4440551320790938
Energy: 1.4732503897311955
Energy: 1.6340555999073891
Energy: 1.6680461105914566
Energy: 1.2846965210116938
Energy: 1.6680461105934268
Energy: 1.4865800869511352
Energy: 1.5778656041492036
Energy: 1.6198483315596088
Energy: 1.3569057101728423
Energy: 1.5040204099720023
Energy: 1.5212752319052787
Energy: 1.3453111171791956
Energy: 1.5212752319033083
Energy: 1.0813424965832807
Energy: 1.4538822403343805
Energy: 1.6897780771854238
Energy: 1.4770480901584846

minimum gb energy = -1.9941550243435258 eV
minimum distance =  2.6232415270261 Angstroms
sigma value = 17


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

Energy: 1.9410019585064566
Energy: 1.7729543628920579
Energy: 1.6562319063225122
Energy: 1.7839889375174305
Energy: 1.8129580647364811
Energy: 1.4577258266600424
Energy: 1.450641747841951
Energy: 1.4577258216922229
Energy: 1.575440821893775
Energy: 1.7909890010301872
Energy: 1.7689279989222022
Energy: 1.7909890010313028
Energy: 1.8163512508713102
Energy: 1.784105402234504
Energy: 1.7831597130360601
Energy: 1.784105402169784
Energy: 1.7650335082236353
Energy: 1.8655183904590946
Energy: 1.3632770418403326
Energy: 1.8655183908974258
Energy: 1.2845925634240458
Energy: 1.670607459103732
Energy: 1.54311931476423
Energy: 1.6706074592509752
Energy: 1.7500199646838641
Energy: 1.7955879747948607
Energy: 1.4411933245161923
Energy: 1.7955879747881656
Energy: 1.62026497551909
Energy: 1.6172804032291854
Energy: 1.5339883747741514
Energy: 1.6172804031767403
Energy: 1.6675333833776915
Energy: 1.805555275138933
Energy: 1.560303575616639
Energy: 1.8055552750942987
Energy: 1.7597241221945117
Energy: 1.7603526451101517
Energy: 1.545488048167759
Energy: 1.7603526451201943
Energy: 1.588816334142822
Energy: 1.8160905882782894
Energy: 1.680584932849906
Energy: 1.8160905882782894
Energy: 1.5463637693754486
Energy: 1.7273081139726612
Energy: 1.754316473666366
Energy: 1.7273081139960944
Energy: 1.635637733274252
Energy: 1.6367833117575468
Energy: 1.6625375394247563
Energy: 1.6367833293212208
Energy: 1.626039245831971
Energy: 1.7769212026434755
Energy: 1.607518432065939
Energy: 1.7769212026780163
Energy: 1.724003648266319
Energy: 1.7671828608366011
Energy: 1.7434762366405925
Energy: 1.7671828608756566
Energy: 1.574197756494007
Energy: 1.8059248260857637
Energy: 1.6286471109122174
Energy: 1.8059248261091965
Energy: 1.4922543373067723
Energy: 1.6040418202389999
Energy: 1.3936691198404103
Energy: 1.604041820114074
Energy: 1.5224855258949168
Energy: 1.5069922040449795
Energy: 1.767266003232194
Energy: 1.507163456882622
Energy: 1.4008891563881078
Energy: 1.8853210096474917
Energy: 1.6026661155428066
Energy: 1.8853210099832138
Energy: 1.4237860912304618
Energy: 1.7523412964023948
Energy: 1.849097766301863
Energy: 1.752341295865868
Energy: 1.7930411890199498
Energy: 1.814002334438451
Energy: 1.8360289463489958
Energy: 1.8140023344351035
Energy: 1.7028334222907622
Energy: 1.7499585808418752
Energy: 1.7340982987183557
Energy: 1.7499586059945298
Energy: 1.4562595959893436
Energy: 1.3628959662067792
Energy: 1.5894897033197983
Energy: 1.3628959535830787
Energy: 1.8949391562159732
Energy: 1.7693376874611073
Energy: 1.4615185635852541
Energy: 1.7693376874633393
Energy: 1.5715102041672666
Energy: 1.2298011174284085
Energy: 1.660534887698227
Energy: 1.2303705501773192
Energy: 1.8414673133209678
Energy: 1.808808573054461
Energy: 1.5899936425819687
Energy: 1.808808573055577
Energy: 1.7874084252738909
Energy: 1.9126018818061203
Energy: 1.7979721454943298
Energy: 1.912601881808352
Energy: 1.7132755550104233
Energy: 1.749418115592456
Energy: 1.8366522086662942
Energy: 1.7494181166654592
Energy: 1.6925970651663775
Energy: 1.4487783482776821
Energy: 1.4774996535084055
Energy: 1.4487783465120834
Energy: 1.3486069585129004
Energy: 1.7417331349820206
Energy: 1.8475499899044219
Energy: 1.7417331353779488

minimum gb energy = 1.2298011174284085 eV
minimum distance =  2.60763303775393 Angstroms
sigma value = 53


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

Energy: 2.1350224522132324
Energy: -1.6499837128442854
Energy: -1.4565391938067163
Energy: 2.170968404501376
Energy: -1.5035779808081278
Energy: -1.5559464105844376
Energy: -1.6357038555651484
Energy: -1.7177912296828242
Energy: -1.485249692436691
Energy: -1.7037152790095076
Energy: -1.6347447346210502
Energy: -1.7515058325588004
Energy: -1.505167104147212
Energy: -1.5703068811776457
Energy: -1.6541783005802184
Energy: -1.6952730022979605
Energy: -1.5093681545639677
Energy: -1.6327662560725744
Energy: -1.5376107605874854
Energy: -1.6046394615849706
Energy: -1.5272553494830932
Energy: -1.3489361241148994
Energy: -1.4997110074102034
Energy: -1.4782651497448076
Energy: -1.4773259573763704
Energy: -1.6076449436691367
Energy: -2.5693308345496892
Energy: -1.6128352271178876
Energy: -1.6017734797357688
Energy: -1.5690820612905452
Energy: -2.6160812163831912
Energy: -1.549486377084601
Energy: -1.7297251039080213
Energy: -1.7133572211066226
Energy: -1.5719225916425363
Energy: -1.6696987114911217
Energy: -1.7130970683337303
Energy: -1.6639082985656692
Energy: -1.4881536176106083
Energy: -1.6010045351202569
Energy: -1.6614872676825132
Energy: -1.5873768682058575
Energy: -1.684911099676693
Energy: -1.658981409501388
Energy: -1.551483140688488
Energy: -1.6057440636520244
Energy: -1.5000503204076272
Energy: -1.5534566519854325
Energy: -2.56479071302945
Energy: -1.7321542399471705
Energy: -1.5384477188457468
Energy: -1.622336637063578

minimum gb energy = -2.6160812163831912 eV
minimum distance =  2.64901393770203 Angstroms
sigma value = 9


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

Energy: 1.6606032437111826
Energy: 1.7026123011627228
Energy: 1.6722226454777829
Energy: 1.4120297383980747
Energy: 1.6227223099503894
Energy: 1.4836444357492569
Energy: 1.4535731700088206
Energy: 1.483644433821908
Energy: 1.5598989496514284
Energy: 1.826663478024033
Energy: 1.5845902326994739
Energy: 1.826663478024984
Energy: 1.5658599038627525
Energy: 2.0186530133257574
Energy: 1.7256485662875078
Energy: 2.0186530131024067
Energy: 1.8962755008239311
Energy: 1.9339032299233971
Energy: 1.5787621855389167
Energy: 1.9339032299310035
Energy: 1.4893892229087182
Energy: 1.6032705017394235
Energy: 1.5186643622716836
Energy: 1.6032705017536424
Energy: 1.2507438616688031
Energy: 1.5025388960459483
Energy: 1.6719080633455545
Energy: 1.502538897254842
Energy: 1.6268134996470835
Energy: 1.4572939927121518
Energy: 1.632817390011802
Energy: 1.4572939863132977
Energy: 1.5955908583267395
Energy: 1.806872180424321
Energy: 1.5459699156765199
Energy: 1.8068721800945247
Energy: 1.7390582535559869
Energy: 1.7300576713664095
Energy: 1.5205620624709917
Energy: 1.7300576711963036
Energy: 1.4867308887191135
Energy: 1.9198071569378516
Energy: 1.8420235959690265
Energy: 1.9198071569378516
Energy: 1.668073689288158
Energy: 1.7193504435460216
Energy: 1.541036944502296
Energy: 1.71935044357165
Energy: 1.5273060370595466
Energy: 1.6147307611603716
Energy: 1.4215934741875738
Energy: 1.6147307611584703
Energy: 1.444938707444945
Energy: 1.5132816420770747
Energy: 1.7426878120532447
Energy: 1.513958677749484
Energy: 1.5871863777497113
Energy: 1.8149011056474973
Energy: 1.687519594471155
Energy: 1.8149011056408417
Energy: 1.6629651711397282
Energy: 1.641230529456925
Energy: 1.8844976000886793
Energy: 1.6412305294341059
Energy: 1.6124467073710274
Energy: 1.738574283964696
Energy: 1.4342935019531509
Energy: 1.7385742839247627
Energy: 1.5753997411673626
Energy: 1.56311737788029
Energy: 1.579056515697273
Energy: 1.5631173778764869
Energy: 1.6682552723796291
Energy: 1.711954199811946
Energy: 1.5331945900995998
Energy: 1.7119541998128969
Energy: 1.6066218123140559
Energy: 1.5828950552239118
Energy: 1.7492164468719782
Energy: 1.5828950552486327
Energy: 1.538001367314202
Energy: 1.6171930234542033
Energy: 1.510306296992769
Energy: 1.6171930201668712
Energy: 1.6159288719570744
Energy: 1.6634152933441773
Energy: 1.5992613614125046
Energy: 1.6634152935561182
Energy: 1.6686460242439265
Energy: 1.6286653228863976
Energy: 1.3400600149376156
Energy: 1.6286653294753244
Energy: 1.5753649965672922
Energy: 1.7102973858444495
Energy: 1.686054918073908
Energy: 1.710297385874875
Energy: 1.6375309135111507
Energy: 1.767363373921146
Energy: 1.7884760216477438
Energy: 1.7673633739734398
Energy: 1.7495352182754929
Energy: 1.662088038524264
Energy: 1.5338254443674886
Energy: 1.6620880385309198
Energy: 1.6304048007531873
Energy: 1.6455313018994242
Energy: 1.7102886400746333
Energy: 1.6455313022653506
Energy: 1.6552248318913851
Energy: 1.5567172786361059
Energy: 1.5246144368369838
Energy: 1.5567172747234095
Energy: 1.5699089988196393
Energy: 1.5428689424545383
Energy: 1.5960890390253275
Energy: 1.5428689589435376
Energy: 1.559678694549241
Energy: 1.565713052371167
Energy: 1.6362860478860686
Energy: 1.5657130522552134
Energy: 1.578792225023503
Energy: 1.7868205050350576
Energy: 1.5161723788360464
Energy: 1.78682050503791
Energy: 1.623276723847997
Energy: 1.657778263891718
Energy: 1.5149127094006558
Energy: 1.6577782636094616
Energy: 1.637404116516741
Energy: 1.6021782276676209
Energy: 1.821056950036492
Energy: 1.6021781581725034
Energy: 1.4912788380264759
Energy: 1.6427813250766066
Energy: 1.4711846575470442
Energy: 1.642781324665128
Energy: 1.6788738682184576
Energy: 1.367234620525546
Energy: 1.6646709063405167
Energy: 1.3656912366003666

minimum gb energy = 1.2507438616688031 eV
minimum distance =  2.62901208958556 Angstroms
sigma value = 73


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

Energy: 1.446708855033025
Energy: 0.9930806612775844
Energy: 1.3905071128841018
Energy: 0.706934702896236
Energy: 1.361649881450161
Energy: 0.3209994482404501
Energy: 0.15644321878544618
Energy: 0.315655437081618
Energy: 0.507606100825461
Energy: 2.0826385310192204
Energy: 0.46402331372486094
Energy: 2.0826385309377944
Energy: 1.0293320217178132
Energy: 2.0728553805705467
Energy: 1.3963800804937985
Energy: 2.0728553716697604
Energy: 1.437422629453435
Energy: 2.0130978098088734
Energy: 0.7643903240986102
Energy: 2.0130978091408753
Energy: -0.024878437225819373
Energy: 0.4412763121043958
Energy: 1.5410724501434774
Energy: 0.5583860734294047
Energy: 0.06260135182965579
Energy: 0.242835734586878
Energy: 0.6545967638842629
Energy: 0.11066969225650429
Energy: 0.0944754038427535
Energy: 0.5383219112725571
Energy: 0.5835119699754586
Energy: 0.16590652159986316
Energy: 0.410609708733928
Energy: 1.3381420675037832
Energy: 1.5392545211016966
Energy: 1.547000047764504
Energy: 1.3776658573477125
Energy: 1.5480953633168901
Energy: 1.5040335049018787
Energy: -0.09912364918676933
Energy: 0.4098981187561276
Energy: -0.032023209390333714
Energy: -0.09839244779284244
Energy: 1.3849893320023756
Energy: 1.4832495198531948
Energy: 1.3477521791378049
Energy: 1.26338352133349
Energy: 1.5140054065607482
Energy: 0.1431423659244889
Energy: 0.11323309279176293
Energy: 0.22611496168799503
Energy: 1.2332256847995593
Energy: 0.4237392513973447
Energy: 1.209572109934644
Energy: 0.8428973214063291
Energy: 1.284655722638283
Energy: 0.6557670468971015
Energy: 1.6830666791850322
Energy: 0.5192262622386081
Energy: 1.6830666378866617
Energy: 1.3162770269766406
Energy: 0.028357750168338518
Energy: 0.7418068987795187
Energy: 0.3876897115800207
Energy: 0.05408921809278044
Energy: 0.2551113242235963
Energy: 0.907615515903297
Energy: 1.4021427148133376
Energy: 1.1420095346728596
Energy: 1.5249944630526455
Energy: -0.10261230956088545
Energy: 1.52499473319364
Energy: 1.6183040326493485
Energy: -0.2516390014789566
Energy: 0.2164323466245684
Energy: 1.5933951037802374
Energy: 1.51413319615685
Energy: 0.2306028238688278
Energy: 0.3336935694302273
Energy: 0.31579337275165675
Energy: 0.4512441350302948
Energy: 1.6069679234017435
Energy: 0.052861801143690434
Energy: 1.5854830463310474
Energy: 0.594011281327394
Energy: 1.1651169041247518
Energy: 0.3728610849720366
Energy: 0.9976202513037692

minimum gb energy = -0.2516390014789566 eV
minimum distance =  2.60323372945548 Angstroms
sigma value = 7


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

Energy: 3.009315423902716
Energy: 1.485529145900702
Energy: 1.4482055385417425
Energy: 1.4868771571263
Energy: 1.5775333569056276
Energy: 1.732571982448329
Energy: 1.419596253793627
Energy: 1.732571868301189
Energy: 1.5345591892873716
Energy: 1.793614435607312
Energy: 1.666489098011809
Energy: 1.7936144354814922
Energy: 1.8930752687749217
Energy: 1.8531389182363156
Energy: 1.908781928541977
Energy: 1.8531389181680966
Energy: 1.7220135016231295
Energy: 1.8341498177490818
Energy: 1.4662915303288637
Energy: 1.8341498178109006
Energy: 1.4861038724439664
Energy: 1.6823858313861826
Energy: 1.631879002080259
Energy: 1.6869277587281999
Energy: 1.5839171225938475
Energy: 1.479669330878385
Energy: 1.444443787231244
Energy: 1.4796706866656981
Energy: 1.5871380583144807
Energy: 1.4486355284216816
Energy: 1.9866649209379457
Energy: 1.4922062702512984
Energy: 1.5976224795257288
Energy: 1.5776602201987522
Energy: 1.6036450852994046
Energy: 1.5010638669297802
Energy: 1.8135291628676808
Energy: 1.6809074395878525
Energy: 1.612787018656993
Energy: 1.680907439600653
Energy: 1.4811966620330037
Energy: 1.6869348537984374
Energy: 1.6520097506495015
Energy: 1.686934853786704
Energy: 0.5623587783130474
Energy: 1.655845912800315
Energy: 1.6776225093883594
Energy: 1.655845912832267
Energy: 1.575489604674322
Energy: 1.64698694214819
Energy: 1.6621428287392301
Energy: 1.6469869531642898
Energy: 1.6173352193857724
Energy: 1.682077218851644
Energy: 1.6498877487869774
Energy: 1.6820772188484436
Energy: 1.5507680869509262
Energy: 1.8062206370570997
Energy: 1.6502697776189077
Energy: 1.8062206372084713
Energy: 1.6910080136750467
Energy: 1.4837280422416264
Energy: 1.5148188318550941
Energy: 1.483727494643837
Energy: 1.6169220945838827
Energy: 1.7366331703822497
Energy: 1.4399947817090737
Energy: 1.7366331650842877
Energy: 1.567793823404095
Energy: 1.8261826767133305
Energy: 1.3357858794911361
Energy: 1.826182679518556
Energy: 1.7883949564028248
Energy: 1.849080538183242
Energy: 1.83111886862252
Energy: 1.8490805382642612
Energy: 1.600649147059436
Energy: 1.8240735738342224
Energy: 1.6432766521440838
Energy: 1.8240735738566227
Energy: 1.9166263373566388
Energy: 1.8057187585589045
Energy: 1.5067597914045163
Energy: 1.8057187585557044
Energy: 1.9843066683089416
Energy: 1.556926624967448
Energy: 1.5313929248139007
Energy: 1.5569266445686334
Energy: 1.650871253228238
Energy: 1.4896855519052856
Energy: 1.2032107013829503
Energy: 1.4896857277623496
Energy: 1.5812710542688522
Energy: 1.6876102708480034
Energy: 1.38425980460421
Energy: 1.68761027084907
Energy: 1.643562530090049
Energy: 1.6216769423155484
Energy: 1.6043268615081867
Energy: 1.621676951863459
Energy: 1.6875926071902083
Energy: 1.6954239404553384
Energy: 1.9354475925539572
Energy: 1.695423940454272
Energy: 1.6558335369697041
Energy: 1.640311442661556
Energy: 1.4268131137304243
Energy: 1.6403114406667167
Energy: 1.6601941170123613
Energy: 1.663812231329452
Energy: 0.961872492254163
Energy: 1.6638122314670054
Energy: 1.644736497675909
Energy: 1.6677306877898692
Energy: 1.7331424188306719
Energy: 1.6677306877888027
Energy: 1.5333838722539206
Energy: 1.6455669675038112
Energy: 1.6368387198532328
Energy: 1.645566967754336
Energy: 1.4156572430891614
Energy: 1.6382791252208662
Energy: 1.5184557525045022
Energy: 1.6382791232121117

minimum gb energy = 0.5623587783130474 eV
minimum distance =  2.59517471224457 Angstroms
sigma value = 29


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

Energy: 1.808244877038921
Energy: -0.5466308212360373
Energy: -0.48606191916248576
Energy: -0.3431855693011425
Energy: 0.22207377906411804
Energy: -0.12952491415025477
Energy: -0.5628065325040635
Energy: -0.24011110757951132
Energy: 0.72689878173742
Energy: 0.82798203450299
Energy: 0.11374347464579525
Energy: 0.7861458813649297
Energy: 0.3683238387835615
Energy: 0.6061324933824802
Energy: -0.3232658813491862
Energy: 1.0330310317914289
Energy: 0.26553216977254507
Energy: 1.1574573890393833
Energy: 0.26993015715094054
Energy: 0.8910603534789551
Energy: -0.5733071532177724
Energy: -0.21260321555172107
Energy: -0.6705538754946747
Energy: -0.13748097266799256
Energy: -0.5945447076390262
Energy: -0.6565902396234694
Energy: -0.5315218091977028
Energy: -0.5383616178132922
Energy: -0.6021309985465977
Energy: -0.1511884228107119
Energy: -0.5922208828407735
Energy: -0.17219803746363366
Energy: 1.930652586225865
Energy: -0.14810152186354064
Energy: -0.6327901974342738
Energy: -0.19145971024730088

minimum gb energy = -0.6705538754946747 eV
minimum distance =  2.67523094419525 Angstroms
sigma value = 5


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

Energy: 1.686840702967128
Energy: 1.5327022734240054
Energy: 1.6001578545140096
Energy: 1.5863413341278234
Energy: 0.868430199774206
Energy: 0.8255530781480958
Energy: 1.5010357068310092
Energy: 0.7876265713244731
Energy: 0.8681712688041435
Energy: 0.9226943281509993
Energy: 1.4272027414536292
Energy: 0.9226943281369385
Energy: 0.6665948882029692
Energy: 0.8367114309538792
Energy: 1.7223968709467914
Energy: 0.8511640974546346
Energy: 0.8825964213845774
Energy: 0.8981617530639812
Energy: 1.7526181514812544
Energy: 0.8981617530589432
Energy: 1.2443911890133206
Energy: 1.2283486957571677
Energy: 1.7017833590604843
Energy: 1.2283486957793348
Energy: 1.1922478552767433
Energy: 1.0401604114511978
Energy: 1.6227087090670989
Energy: 1.040160356116764
Energy: 1.069480015098992
Energy: 1.1191333184256738
Energy: 1.699529569235639
Energy: 1.119135000018496
Energy: 1.1850804470672114
Energy: 1.2117281012887984
Energy: 1.2616331774754568
Energy: 1.2117281010732617
Energy: 1.6853253182783987
Energy: 1.3597481862481342
Energy: 1.232326677422612
Energy: 1.3597481858704183
Energy: 1.1668376797282414
Energy: 1.128068028058753
Energy: 1.306442701813383
Energy: 1.1280680272016443
Energy: 1.3577879975323397
Energy: 1.0200668342965518
Energy: 1.6258418543032775
Energy: 1.0200668483847075
Energy: 1.1759153449736643
Energy: 1.287906988704067
Energy: 1.6923418704843651
Energy: 1.2879057378127525
Energy: 1.0311108232310038
Energy: 1.1246626390615113
Energy: 1.127595105510247
Energy: 1.1246626145834444
Energy: 1.7112982158139955
Energy: 1.2026393941539761
Energy: 1.2285249575996273
Energy: 1.2026393940401623
Energy: 1.7109428833837745
Energy: 1.1277859890238175
Energy: 1.173397023598346
Energy: 0.9719700153985328
Energy: 1.5100734120995216
Energy: 1.166092272141643
Energy: 1.1723702758601506
Energy: 1.1660922715484363
Energy: 1.6580345620092973
Energy: 0.8401212525849615
Energy: 0.8800773517830482
Energy: 0.8401212551532186
Energy: 1.7002607446294398
Energy: 0.9627288735721079
Energy: 0.8745070215632019
Energy: 0.9627288811520274
Energy: 1.2379735852055709
Energy: 0.8511843936207567
Energy: 0.9409823664280361
Energy: 0.8511843937285252
Energy: 1.5809075970000543
Energy: 1.207106139486823
Energy: 1.2687667652150016
Energy: 1.2071061398876681
Energy: 1.5975352212399863
Energy: 1.5405280518736497
Energy: 1.3394500854836784
Energy: 1.5405280478077656
Energy: 1.4587312806397983
Energy: 0.8734777781668529
Energy: 0.8374814250204765
Energy: 0.8734777780500161
Energy: 1.539874736824175
Energy: 1.0000334586272972
Energy: 0.9787893419649363
Energy: 1.0000334586293123
Energy: 1.50875947962854
Energy: 0.889588664364059
Energy: 0.9451577306529819
Energy: 0.8895886642713591
Energy: 1.3393792737404648
Energy: 1.3515132203951281
Energy: 0.8779914790520412
Energy: 1.3515132205200255
Energy: 1.396243060815552
Energy: 1.3402723968614947
Energy: 1.5331951836994928
Energy: 1.3402723968413426
Energy: 1.517715043706158
Energy: 1.2344921837352505
Energy: 1.5180900407196827
Energy: 1.046412715635413
Energy: 0.8871172959778167
Energy: 1.0663776254068378
Energy: 1.460386678415227
Energy: 1.066377640542494
Energy: 0.9795920141897061
Energy: 0.9922553542137488
Energy: 1.76525052937502
Energy: 0.992255355035591
Energy: 0.8003112186008559
Energy: 0.9465072865997267
Energy: 1.7192528400295062
Energy: 0.9465072865745365
Energy: 0.9783693434843643
Energy: 0.8610543238340802
Energy: 1.3191186386580143
Energy: 0.8610543238360955
Energy: 1.2927073154095645
Energy: 1.539539021964801
Energy: 1.7049672796398532
Energy: 1.5395372395501037

minimum gb energy = 0.6665948882029692 eV
minimum distance =  2.57610055219064 Angstroms
sigma value = 1


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

Energy: -0.9701170142928814
Energy: -0.6043807626210693
Energy: -0.07069165093144
Energy: -1.9425741847800482
Energy: 0.7544349840758243
Energy: 0.7208448834678549
Energy: 0.6203996894212976
Energy: 0.7208458648060189
Energy: 0.9567910010489886
Energy: -0.7326546262561376
Energy: -0.36937174815855184
Energy: -0.6742350602697602
Energy: -0.6432215619378966
Energy: -0.5024388571165673
Energy: -1.6437576527631719
Energy: 0.8266812744108932
Energy: -0.5787788868648363
Energy: -0.869401582270204
Energy: -0.2635161328152294
Energy: -0.6817080844042216
Energy: -0.385565215052027
Energy: -0.6460318220748698
Energy: 0.2842056599887063
Energy: -0.9095889335622046
Energy: -0.7456397876506077
Energy: -0.8974677388861974
Energy: 1.4632143861344296
Energy: -0.8849861138377579
Energy: 0.5320904118930926
Energy: -0.6455582105650602
Energy: 1.2971323711515579
Energy: -0.8302439944635763
Energy: -0.6073296759246295
Energy: 0.15502119860221075
Energy: 0.39602967663887734
Energy: -0.6463257078267862
Energy: -0.14081610214681164
Energy: -0.09802933568023456
Energy: 0.49868214200910993
Energy: 0.3627695515099439
Energy: -0.6285745000113256
Energy: -0.8169671569472733
Energy: -0.6402057283130492
Energy: 0.4436086724996124
Energy: -0.6914392074686295
Energy: -0.8996805957202182
Energy: -1.7754476390383265
Energy: -0.8230598045534478
Energy: 0.6755338024335972
Energy: -0.8098857211260513
Energy: -1.7288264702772962
Energy: -0.7676439226682918
Energy: 0.6756761869764729
Energy: -0.3011389887812001
Energy: 0.8035835964877746
Energy: -0.09062873781026966
Energy: -1.728076853240016
Energy: 0.7030936874251649
Energy: 0.4296872180165683
Energy: -0.8398965003566441
Energy: -1.7638431428388712
Energy: -0.7852070057834338
Energy: -0.5919979824055936
Energy: -0.6717931250066971
Energy: 0.7024911453377709
Energy: -0.7360314618508098
Energy: 0.9716304938525258
Energy: -0.8167790606567417
Energy: -0.25159452081828004
Energy: -0.5846320427938606
Energy: 0.9438455428005037
Energy: -0.8698637561174102
Energy: 1.4082728923090275
Energy: -0.8049877664476881
Energy: 0.9031116101649219
Energy: -0.91099113960025
Energy: 0.9376827703008072
Energy: -0.998692812123675
Energy: -0.6308679410976987
Energy: -0.8501978940343553
Energy: -0.30974875901153676
Energy: -0.5908814865435215
Energy: -0.17770223656135567
Energy: 0.17784745266761512
Energy: -0.016247552446553862
Energy: 0.6076932033485155
Energy: -0.11409324561992319
Energy: -0.3709638844108368
Energy: 0.64142906616632
Energy: -0.6727651915340389
Energy: -0.5104470378397488
Energy: 0.31557244162840803
Energy: -1.7883657134393094
Energy: -0.8887560059324194
Energy: 0.8621142705004448
Energy: -0.7941289074778684

minimum gb energy = -1.9425741847800482 eV
minimum distance =  2.60858080967044 Angstroms
sigma value = 17


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

Energy: 1.3015592724651512
Energy: 1.5118885467689003
Energy: 1.5603109154118346
Energy: 1.4010760707401466
Energy: 0.8206275720559467
Energy: 0.7924489520456266
Energy: 1.1550409509343982
Energy: 0.7924489520421821
Energy: 0.8128428020676125
Energy: 0.785780528324659
Energy: 1.47194516012507
Energy: 0.7857805283220756
Energy: 0.7829524747463273
Energy: 0.8078922736951231
Energy: 1.329125204067599
Energy: 0.8078922736641235
Energy: 0.7915766929005217
Energy: 0.7413921807572326
Energy: 1.3118098610520026
Energy: 0.7413921747855825
Energy: 1.4357000693862547
Energy: 1.2463933411110544
Energy: 1.426513904791745
Energy: 1.2463933410671384
Energy: 1.3062705865749358
Energy: 1.2930587006789636
Energy: 1.282525201459593
Energy: 1.2930587006712135
Energy: 1.4119405427863267
Energy: 1.2190785886273394
Energy: 1.4220071593367314
Energy: 1.2190785889423454
Energy: 1.406160700616816
Energy: 0.8536131944072408
Energy: 0.7619333013275454
Energy: 0.8536131944106853
Energy: 1.4895405013587306
Energy: 0.7964873282853507
Energy: 0.7641194387529546
Energy: 0.7964873282475405
Energy: 1.2138754261269538
Energy: 0.7961726454570035
Energy: 0.8112833891909778
Energy: 0.7961726454372766
Energy: 1.339478988307817
Energy: 1.0063772248416376
Energy: 1.1936179912171838
Energy: 1.0063772249801963
Energy: 1.5175215239740443
Energy: 1.431028604982271
Energy: 1.1928126892534445
Energy: 1.4310286046732927
Energy: 1.245853716724169
Energy: 0.7760722091172696
Energy: 0.7650784552224645
Energy: 0.7760722091276027
Energy: 1.4484150164007923
Energy: 0.8049598455543835
Energy: 0.8835430160006729
Energy: 0.8049598455655776
Energy: 1.3763457765730425
Energy: 0.763995598189368
Energy: 0.8232692633653619
Energy: 0.7639955981962567
Energy: 1.2518495052424805
Energy: 1.2487437101531038
Energy: 0.7665752369182939
Energy: 1.2487437101419097
Energy: 1.2734944451220214
Energy: 1.2253863296277825
Energy: 1.367420775608406
Energy: 1.2253863296217549
Energy: 1.2773749920412014
Energy: 1.1773258350066602
Energy: 1.3528529495969674
Energy: 1.1773258352476117
Energy: 0.9990679180123241
Energy: 1.2968785578865372
Energy: 1.2755763254472003
Energy: 1.2968785578503708
Energy: 0.9779816013180601
Energy: 1.0685038746791464
Energy: 1.4064577712912507
Energy: 1.0685038746843132
Energy: 0.9990904408153223
Energy: 0.9972175490374675
Energy: 1.348148597474701
Energy: 0.9972175492629191
Energy: 1.0516845229623892
Energy: 1.0267451876357703
Energy: 0.9966437876298221
Energy: 1.026745188044636
Energy: 1.3725656155718233
Energy: 1.232068774792476
Energy: 1.2128449355468736
Energy: 1.2320687746039733
Energy: 1.1466685552343225
Energy: 1.0456410067998092
Energy: 1.1783911441874677
Energy: 1.0456410067403934
Energy: 0.9948037140234319
Energy: 1.0134596861549205
Energy: 1.0188834929225141
Energy: 1.0134596861326102
Energy: 1.2918645020524777
Energy: 1.29415892892605
Energy: 1.3419708747265016
Energy: 1.2941589293004718
Energy: 0.8891852181884196
Energy: 0.913733957428981
Energy: 1.0596714230656297
Energy: 0.9137339574307031
Energy: 1.378080476177266
Energy: 0.9878092217183133
Energy: 1.009612979613664
Energy: 0.9878092221392346
Energy: 1.427082126513875
Energy: 1.0113502271041415
Energy: 1.01176765741236
Energy: 1.0113502270843362
Energy: 1.5465013899021514
Energy: 1.0786973386733127
Energy: 1.020039744285155
Energy: 1.0786973386733127
Energy: 1.457877473055741
Energy: 1.2508840404639188
Energy: 1.2736837763203233
Energy: 1.2508840404630575
Energy: 1.5069309896451497
Energy: 1.2661492100341651
Energy: 1.2604038084312972
Energy: 1.2661492100324432
Energy: 1.4164950619667478
Energy: 1.2234272261121268
Energy: 1.2730619031007884
Energy: 1.223427226112988
Energy: 0.7683607705185684
Energy: 0.7890141306345864
Energy: 1.2611915560228897
Energy: 0.7890141308101725
Energy: 0.8748390301728198
Energy: 0.8755976510061928
Energy: 1.2102614311449174
Energy: 0.8755976509579713
Energy: 0.7932683995565424
Energy: 0.8433778220188834
Energy: 1.2571691987244995
Energy: 0.8433778220163001
Energy: 1.0972451498769056
Energy: 0.9320013984608874
Energy: 1.4248195067077054
Energy: 0.9320013715066576

minimum gb energy = 0.7413921747855825 eV
minimum distance =  2.60201621817642 Angstroms
sigma value = 89


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

Energy: 2.0755679624613834
Energy: -0.3593323358365657
Energy: -0.5058404747697509
Energy: 0.45927334008918774
Energy: -0.372564042804913
Energy: -0.34312309644065936
Energy: -0.34180005268845387
Energy: -0.5495257719589752
Energy: -0.15766611597813987
Energy: -0.5849972540027816
Energy: 0.1507977064039668
Energy: -0.3486662916904414
Energy: -0.4888287287439518
Energy: -0.37008646082215685
Energy: 0.3430454685161866
Energy: -0.38858211283972016
Energy: -0.21444024469891507
Energy: -0.20601972936969312
Energy: -0.28604857056685007
Energy: -0.12624512860142384
Energy: 0.7033077980289203
Energy: 0.07452798589787181
Energy: 0.48419416610108124
Energy: 0.34631617258904673
Energy: 0.4053689481811911
Energy: 0.06426953800834505
Energy: -0.5446900401162184
Energy: 0.0010158923010088509
Energy: 0.5466034904355132
Energy: -0.011820731203616106
Energy: -0.6472586339565913
Energy: 0.18348186685013027
Energy: -0.09604904406815781
Energy: -0.45391788449304865
Energy: -0.5590073187693557
Energy: -0.2606711064169979
Energy: -0.23130377453822676
Energy: -0.3343479335269602
Energy: -0.4868370956817286
Energy: -0.24012717981712114
Energy: -0.30830858477405815
Energy: -0.3749869678150107
Energy: -0.3797261335190868
Energy: -0.2969960042690769
Energy: -0.5941324539293457
Energy: -0.42593851505292707
Energy: -0.5091976512363715
Energy: -0.35034657127643143
Energy: 0.7752882966569824
Energy: -0.4672961477806608
Energy: -0.5132225116341191
Energy: -0.26051358824327003
Energy: -0.4797723529882493
Energy: 0.25997411273198195
Energy: -0.3761004301269982
Energy: 0.17765465068775368
Energy: -0.3713844768105477
Energy: -0.19873620207013962
Energy: -0.32976962742976823
Energy: -0.3304473027253817

minimum gb energy = -0.6472586339565913 eV
minimum distance =  2.64179130144508 Angstroms
sigma value = 13


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

Energy: 0.6694397829515519
Energy: 0.6453279555074781
Energy: 0.6495060299889122
Energy: 0.5573088978029436
Energy: 0.5505081793225443
Energy: 0.6685147764712432
Energy: 0.5958029358074062
Energy: 0.6685147763910165
Energy: 0.609580781869331
Energy: 0.6204358294449194
Energy: 0.5403880859777648
Energy: 0.6204358288757342
Energy: 0.5721370744449144
Energy: 0.6613507801978667
Energy: 0.5250763949938779
Energy: 0.6613507801667032
Energy: 0.5800812801106072
Energy: 1.0217332744602503
Energy: 1.0402391578714099
Energy: 1.0217332746886538
Energy: 0.7170455249187933
Energy: 0.9838715244621064
Energy: 0.9809637819808594
Energy: 0.9838715258600869
Energy: 0.6739431416259787
Energy: 1.0122521855662334
Energy: 1.011520022040664
Energy: 1.012252188024246
Energy: 1.0298864538853956
Energy: 1.0357145230368985
Energy: 1.0409358819762273
Energy: 1.0357145230368985
Energy: 1.1041295836858815
Energy: 1.0492864053164515
Energy: 1.0481549181960919
Energy: 1.0492864052541244
Energy: 0.5018412430329819
Energy: 1.013194823795598
Energy: 1.0483280236044148
Energy: 1.0131948237965425
Energy: 0.523154076649185
Energy: 1.0274924022037992
Energy: 0.9979968566451293
Energy: 1.0274924023472545
Energy: 0.6079502438993352
Energy: 0.6229452428930634
Energy: 0.5915990697738277
Energy: 0.6229453028543157
Energy: 0.6371555042906419
Energy: 0.6615888748871118
Energy: 0.4895066794183938
Energy: 0.6615888749106776
Energy: 0.5818228741540625
Energy: 0.6449915948860904
Energy: 0.6097006263176916
Energy: 0.6449915949134765
Energy: 0.75008502271719
Energy: 0.618184472232936
Energy: 0.6281843950621956
Energy: 0.6181844722159378
Energy: 0.718089512859062
Energy: 0.6583276723801735
Energy: 0.49987113698298113
Energy: 0.6583276723877284
Energy: 0.5905350708488346
Energy: 0.6279409700691907
Energy: 0.5631142819431899
Energy: 0.6279409691469476
Energy: 0.6522553845112605
Energy: 0.6440596541974076
Energy: 0.5638304244345795
Energy: 0.644059654195519
Energy: 0.6048447867678647
Energy: 0.6433498346163185
Energy: 0.8311388100761882
Energy: 0.6433498343595843
Energy: 0.500296450815884
Energy: 0.63299498172893
Energy: 0.47442604134247435
Energy: 0.6329949816675902
Energy: 0.4643118472383739
Energy: 0.6509360784702753
Energy: 0.6032393800094702
Energy: 0.6509360784570543
Energy: 1.0364532795757633
Energy: 0.5906670276267753
Energy: 0.615704758122899
Energy: 0.5906670276258308
Energy: 0.9834003769176003
Energy: 1.0552869219069099
Energy: 0.7530564374177927
Energy: 1.0552869219436967
Energy: 1.0484089098991798
Energy: 0.9879818654726835
Energy: 1.008384746398309
Energy: 0.987981911991465
Energy: 0.9754275138381315
Energy: 1.0374199997430844
Energy: 1.1879687639469267
Energy: 1.037419999706255
Energy: 0.9780943391449172
Energy: 1.0513404063441536
Energy: 1.1569414184135547
Energy: 1.0513404062998122
Energy: 0.9884972175959691
Energy: 0.9680687134174065
Energy: 0.7477055535959058
Energy: 0.9680687131786149
Energy: 1.0278065819228925
Energy: 1.0515601990025902
Energy: 0.7458264115778667
Energy: 1.0515601990384753
Energy: 1.041637256090544
Energy: 0.6570468274937424
Energy: 0.5892484882244067
Energy: 0.6570468275286835
Energy: 0.6608937680334851
Energy: 0.6317181642800668
Energy: 0.6200580058776459
Energy: 0.6317181642781781
Energy: 0.5352294138808469
Energy: 0.6240447063275545
Energy: 0.5050321142363341
Energy: 0.6240447084655187
Energy: 0.6362679314230841
Energy: 0.6561425729354908
Energy: 0.7334210722682973
Energy: 0.6561425729373795
Energy: 0.6421625731151859
Energy: 0.6105183270291191
Energy: 0.7174611801218401
Energy: 0.6105183267610526
Energy: 0.6026640601891325
Energy: 0.5489125111114647
Energy: 0.5867070239373429
Energy: 0.5489124624678969
Energy: 0.8494008433991833
Energy: 0.667697580123366
Energy: 0.6122556438107141
Energy: 0.667697580123366

minimum gb energy = 0.4643118472383739 eV
minimum distance =  2.62286976237972 Angstroms
sigma value = 37


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

Energy: -0.09215211676287173
Energy: 0.7298063725215771
Energy: 0.6914534462157637
Energy: 0.2489968762049776
Energy: 0.4315004230940667
Energy: 0.4203671076038846
Energy: 0.5217786586169284
Energy: 0.6531071759114774
Energy: 0.5621865381282352
Energy: 0.6671362311633658
Energy: -0.08145754847956378
Energy: 0.6201529731348892
Energy: 0.5963593208375991
Energy: 0.40248989720880585
Energy: 0.2605624576358395
Energy: 0.5403594805572696
Energy: 0.4423908922074614
Energy: 0.690464108515563
Energy: -0.16382529519196024
Energy: -0.31118930545278317
Energy: 0.5531649200510316
Energy: -0.22619840543550052
Energy: -0.07590180743927162
Energy: -0.41305701512911197
Energy: 0.6991736541960609
Energy: -0.4573731804929362
Energy: -0.2415567763613785
Energy: -0.5054262726901024
Energy: -0.08948852522277763
Energy: -0.12205524979357055
Energy: -0.17547521695531912
Energy: -0.08458124606957972
Energy: -0.17071396536886527
Energy: 0.32690729889270786
Energy: -0.3363958161961533
Energy: 0.5688711283562875
Energy: -0.16763868023718187
Energy: 0.4465118872875271
Energy: -0.2327992645530859
Energy: 0.5042353570780848
Energy: 0.07872387095814813
Energy: 0.4971393859454437
Energy: -0.21966756418391373
Energy: 0.3225434254967359
Energy: -0.3723737209087162
Energy: -0.17765418431757243
Energy: 0.04423457019699368
Energy: -0.3330010325753077
Energy: 0.23017168035598687
Energy: -0.6289751178851143
Energy: -0.16074864611395762
Energy: -0.45868451057941306
Energy: 0.533895052119976
Energy: -0.36684782196445254
Energy: 0.576144908464685
Energy: -0.49998142237884297
Energy: -0.1429686974903815
Energy: 0.4455910861503648
Energy: 0.7931116403492469
Energy: 0.3975588533642029
Energy: -0.2845217734381981
Energy: 0.7818655506338671
Energy: 0.285954259619317
Energy: 0.7818549709504077
Energy: -0.2609762693233295
Energy: -0.2436889566869956
Energy: 0.4335836164362179
Energy: -0.13104175839948026
Energy: 0.523847757308778
Energy: 0.7395446165901186
Energy: 0.33960935273917386
Energy: 0.7395458915607417
Energy: 0.44773724653203634
Energy: 0.4627622521167753
Energy: 0.29433734402462297
Energy: 0.5110597191025986
Energy: 0.057119708007661446
Energy: 0.6440374563798057
Energy: 0.23467010847489805
Energy: 0.6334996459607735

minimum gb energy = -0.6289751178851143 eV
minimum distance =  2.5955237154922 Angstroms
sigma value = 25


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

Energy: 0.17792632225211694
Energy: 0.5995009848523265
Energy: 0.6592073204178159
Energy: 0.41356188031131846
Energy: 0.43719349241696603
Energy: 0.7369861572715694
Energy: 0.5863564302829163
Energy: 0.7369861571662677
Energy: 0.5284667590389619
Energy: 0.556488308349841
Energy: 0.7230716092001297
Energy: 0.5564883090536774
Energy: 0.5808338863997888
Energy: 0.6004969958494212
Energy: 0.5010480784144399
Energy: 0.60049699590138
Energy: 0.6801814779046113
Energy: 0.6399442298427143
Energy: 0.7502999641115797
Energy: 0.6399442279138967
Energy: 0.6475720892895598
Energy: 0.7277643752356833
Energy: 0.7125864840920538
Energy: 0.7285493461209607
Energy: 0.6362491852351916
Energy: 0.755986656162327
Energy: 0.7605641508415785
Energy: 0.7559866566023328
Energy: 0.7675087422599566
Energy: 0.8822800708314044
Energy: 0.658940530453242
Energy: 0.8822800691143432
Energy: 0.7896618181233062
Energy: 0.8464922145513669
Energy: 0.7106945100617111
Energy: 0.846492319377556
Energy: 0.7984217403724859
Energy: 0.9374872143173526
Energy: 0.7649670984534745
Energy: 0.9374872143046658
Energy: 0.8568854646148923
Energy: 0.9212591644844624
Energy: 0.8722692141108132
Energy: 0.9212591696774549
Energy: 0.7988091139359768
Energy: 1.0007736408285368
Energy: 0.9292821549960961
Energy: 1.0007736407956087
Energy: 0.8589302489414299
Energy: 0.9143260020729403
Energy: 0.8253063452611852
Energy: 0.9143260007122093
Energy: 0.7331322553376851
Energy: 0.8374612025233379
Energy: 0.5790900243566975
Energy: 0.8374612001151852
Energy: 0.7484419150810889
Energy: 0.9095386748637891
Energy: 0.7460053918245548
Energy: 0.9095386726027469
Energy: 0.7179593586760514
Energy: 0.9208641803145227
Energy: 0.7430729991578304
Energy: 0.9208641785759515
Energy: 0.6789560892104395
Energy: 0.7819307687710647
Energy: 0.6615930853970127
Energy: 0.7819307687621838
Energy: 0.554011510674042
Energy: 0.7731794900494156
Energy: 0.6846220406851461
Energy: 0.7731794383781895
Energy: 0.6654855250409539
Energy: 0.767912470242328
Energy: 0.7352486941352923
Energy: 0.7679124702017874
Energy: 0.7407843119180524
Energy: 0.713031335378696
Energy: 0.5528077266651783
Energy: 0.7130315663216511
Energy: 0.4089802429543975
Energy: 0.5511287460092381
Energy: 0.6144144135331798
Energy: 0.5511288299835297
Energy: 0.7324992831390174
Energy: 0.5840281256103644
Energy: 0.6205392732558263
Energy: 0.584028125494971
Energy: 0.7646698241896512
Energy: 0.7017550774883751
Energy: 0.6641078236309533
Energy: 0.701748667709782
Energy: 0.6191571116329609
Energy: 0.5824460301803005
Energy: 0.24764204080258723
Energy: 0.5824460301803005
Energy: 0.6098218766972544
Energy: 0.5695512956391788
Energy: 0.5882611648275345
Energy: 0.5695512955187108
Energy: 0.3296962896508567
Energy: 0.6046316831176918
Energy: 0.6073551703907962
Energy: 0.6046316834119133

minimum gb energy = 0.17792632225211694 eV
minimum distance =  2.58924908822703 Angstroms
sigma value = 41


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

Energy: 0.16434943322037376
Energy: 0.5614300599220374
Energy: 0.5395823922865732
Energy: 0.2969156866546946
Energy: 0.45211923909397256
Energy: 0.714292800517883
Energy: 0.6346616780194804
Energy: 0.7142928004793987
Energy: 0.4626708091439588
Energy: 0.4387992780447656
Energy: 0.655432287846186
Energy: 0.4387992780603674
Energy: 0.4822970285881444
Energy: 0.41861926401428523
Energy: 0.34522621424490796
Energy: 0.418619264023599
Energy: 0.5815593133292839
Energy: 0.7448163058799753
Energy: 0.633111953955384
Energy: 0.7448163059142993
Energy: 0.7150081062970135
Energy: 0.6530078039985887
Energy: 0.607676148032123
Energy: 0.6530078043645693
Energy: 0.650884107212987
Energy: 0.6353904008033427
Energy: 0.5968224885566855
Energy: 0.6353904002866392
Energy: 0.6664701089704682
Energy: 0.8618784039585153
Energy: 0.77235463266819
Energy: 0.8618784039845184
Energy: 0.6653991329436657
Energy: 0.8683189664091373
Energy: 0.6861420180298741
Energy: 0.8683189662188898
Energy: 0.6740867142134477
Energy: 0.8542958731665098
Energy: 0.839217791029965
Energy: 0.8542958726175626
Energy: 0.8418982331290704
Energy: 0.912770550360331
Energy: 0.8212434006988282
Energy: 0.9127705503956949
Energy: 0.6922077117935586
Energy: 0.9216034263693977
Energy: 0.7698038922144098
Energy: 0.9216034263714781
Energy: 0.8094901895965724
Energy: 0.9097492101259685
Energy: 0.8986579839220576
Energy: 0.9097492103141358
Energy: 0.9060370158213025
Energy: 0.9440801641250534
Energy: 0.8964698526812697
Energy: 0.9440801641572498
Energy: 0.8450606376294735
Energy: 0.9337326409865258
Energy: 0.8015063088694356
Energy: 0.9337326409730041
Energy: 0.8644034448437938
Energy: 0.9318277097614688
Energy: 0.894890593021986
Energy: 0.9318277098581527
Energy: 0.9899958181476702
Energy: 0.9500208647205876
Energy: 0.8963736558536178
Energy: 0.9500208647205876
Energy: 0.7263645765175641
Energy: 0.951735681150425
Energy: 0.6988410445970485
Energy: 0.951735681150425
Energy: 0.8452240022820376
Energy: 0.9225942112352937
Energy: 0.7270538725614653
Energy: 0.9225942113194961
Energy: 0.811028954180312
Energy: 0.8889905718802831
Energy: 0.8124847857142646
Energy: 0.888990571879243
Energy: 0.5769571325690397
Energy: 0.8132326464486638
Energy: 0.6953956587533465
Energy: 0.8132326464580247
Energy: 0.8004961329803344
Energy: 0.8568576143345228
Energy: 0.6372945670755948
Energy: 0.8568576143522048
Energy: 0.6158404996738209
Energy: 0.6168028981936406
Energy: 0.6386608163641208
Energy: 0.6168028974742082
Energy: 0.6064502684292122
Energy: 0.6240490337144131
Energy: 0.5048229424899885
Energy: 0.6240490336228826
Energy: 0.627218229419481
Energy: 0.7153198335001688
Energy: 0.693555925809168
Energy: 0.7153198334461299
Energy: 0.669824698635436
Energy: 0.3440888756417326
Energy: 0.43366004507855227
Energy: 0.34408882564351756
Energy: 0.4775249716422
Energy: 0.43517259956524346
Energy: 0.4811680726726478
Energy: 0.4351725995725243
Energy: 0.6314867844034003
Energy: 0.6685483075455292
Energy: 0.4629057372268128
Energy: 0.6685483075465694
Energy: 0.4801931731371795
Energy: 0.4177254671335007
Energy: 0.5508487529079718
Energy: 0.4177254671823391
Energy: 0.4827490953009858
Energy: 0.41485511802528047
Energy: 0.41916313697772184
Energy: 0.4148551180387547
Energy: 0.4433935672577952
Energy: 0.47350531830211035
Energy: 0.4601375839788126
Energy: 0.4735053182958696
Energy: 0.19903385819711547
Energy: 0.47026331049190684
Energy: 0.4687698746971173
Energy: 0.4702633104991877

minimum gb energy = 0.16434943322037376 eV
minimum distance =  2.60360041563421 Angstroms
sigma value = 15


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

Energy: 0.23059232396789886
Energy: 0.42662161554236244
Energy: 0.43179295297796133
Energy: 0.3661802850235807
Energy: 0.37317357068298085
Energy: 0.6134915510736045
Energy: 0.5935337419995131
Energy: 0.6134915510753669
Energy: 0.38794392909387965
Energy: 0.5134403385283162
Energy: 0.5551674618262964
Energy: 0.5134403385265539
Energy: 0.41221052368590144
Energy: 0.5074863403736756
Energy: 0.3020430296174916
Energy: 0.5074863403736756
Energy: 0.6667553654559938
Energy: 0.7397173673980164
Energy: 0.5470071266125616
Energy: 0.7397173673997786
Energy: 0.6726047905837671
Energy: 0.6698438894123938
Energy: 0.5959425281456562
Energy: 0.6698438894300164
Energy: 0.613947003574449
Energy: 0.6763537288484163
Energy: 0.5817114827464677
Energy: 0.676353728861633
Energy: 0.6664950067619392
Energy: 0.7683036880716997
Energy: 0.695187349909224
Energy: 0.7683036880743431
Energy: 0.6798932188043902
Energy: 0.7959271569748843
Energy: 0.6693626378325724
Energy: 0.7959271569784088
Energy: 0.7270246310630192
Energy: 0.7952518950878731
Energy: 0.7316629825380179
Energy: 0.7952518950878731
Energy: 0.7092633814779183
Energy: 0.831982660401433
Energy: 0.7332089338560015
Energy: 0.8319826603996708
Energy: 0.6763978539943218
Energy: 0.8601304058751781
Energy: 0.7803911458097177
Energy: 0.8601304058698914
Energy: 0.7480778864748693
Energy: 0.8204795669045084
Energy: 0.8295669590929772
Energy: 0.8204795670542201
Energy: 0.8124464152456191
Energy: 0.8748306779895111
Energy: 0.8268505705387643
Energy: 0.8748306779921543
Energy: 0.8615102062052094
Energy: 0.8869303683589593
Energy: 0.7482232148912604
Energy: 0.8869303683580783
Energy: 0.8730068494042537
Energy: 0.8940104710592142
Energy: 0.8277659807122701
Energy: 0.894010471058333
Energy: 0.8728394146494706
Energy: 0.9074111410739994
Energy: 0.8327876741710075
Energy: 0.9074111410775239
Energy: 0.8419762661909984
Energy: 0.9254800638907357
Energy: 0.8443633545840797
Energy: 0.9254800638898545
Energy: 0.8386368611465606
Energy: 0.9081636233782533
Energy: 0.8678847004989768
Energy: 0.9081636233791344
Energy: 0.832953289752042
Energy: 0.8918518506840662
Energy: 0.8736496460532096
Energy: 0.8918518506867097
Energy: 0.7598280219402971
Energy: 0.8855747666788863
Energy: 0.853644693153004
Energy: 0.8855747666709562
Energy: 0.8243682926241018
Energy: 0.8785687593656503
Energy: 0.8103908715041719
Energy: 0.8785687593647692
Energy: 0.8350597618105494
Energy: 0.8551512854489531
Energy: 0.7601104917886703
Energy: 0.8551512854586455
Energy: 0.7577161718178841
Energy: 0.8611590459667693
Energy: 0.6285887584135312
Energy: 0.8611590459658881
Energy: 0.7368995899454722
Energy: 0.8341216292627325
Energy: 0.733424202829948
Energy: 0.8341216292662571
Energy: 0.6583620033771405
Energy: 0.7921865709930195
Energy: 0.7279335154912385
Energy: 0.792186570990376
Energy: 0.6858397731265857
Energy: 0.795566278191679
Energy: 0.6754538146583178
Energy: 0.7955662782004904
Energy: 0.7418049542992314
Energy: 0.7662136578244788
Energy: 0.6064330080392787
Energy: 0.7662136578244788
Energy: 0.5805760094901911
Energy: 0.6387177441388626
Energy: 0.6796069523517206
Energy: 0.6387177440966487
Energy: 0.5868438771961828
Energy: 0.6689358073735086
Energy: 0.5747921489783482
Energy: 0.6689358073717462
Energy: 0.5469325234868522
Energy: 0.6793577524433779
Energy: 0.6705606797406977
Energy: 0.6793577524460211
Energy: 0.32365764234224875
Energy: 0.36215090581405424
Energy: 0.41897456531965427
Energy: 0.3621509058158166
Energy: 0.5872931229924142
Energy: 0.5146126316331997
Energy: 0.3855490151611188
Energy: 0.5146126316270319
Energy: 0.5705962536419698
Energy: 0.67322601315442
Energy: 0.37400611547150303
Energy: 0.6732260131561822
Energy: 0.44531893369454995
Energy: 0.5177545385330297
Energy: 0.10273816489747478
Energy: 0.5177545385374354
Energy: 0.3629274871551175
Energy: 0.48313806891081507
Energy: 0.4609448814271881
Energy: 0.4831380687672712
Energy: 0.5014158159781953
Energy: 0.5125305266189099
Energy: 0.35635611457411437
Energy: 0.5125305266109796

minimum gb energy = 0.10273816489747478 eV
minimum distance =  2.60676673509735 Angstroms
sigma value = 85


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

Energy: 0.15295361270018798
Energy: 0.4389804239945068
Energy: 0.43771560701643347
Energy: 0.14540240015857356
Energy: 0.2724443840246814
Energy: 0.40092595845476103
Energy: 0.4059493428078827
Energy: 0.40092595897341243
Energy: 0.3151112770754116
Energy: 0.2815475498131356
Energy: 0.42738265495804
Energy: 0.28154754986965197
Energy: 0.304274756524249
Energy: 0.26380433562165845
Energy: 0.35272538830055694
Energy: 0.2638043356102301
Energy: 0.5005640964882293
Energy: 0.508436045665015
Energy: 0.4278941084683396
Energy: 0.5084359792370606
Energy: 0.3934892638439956
Energy: 0.471393579041714
Energy: 0.4284054025847706
Energy: 0.47139357904782764
Energy: 0.5104629103706521
Energy: 0.4631095356234861
Energy: 0.44462530416779794
Energy: 0.4631095356143157
Energy: 0.5266296676231889
Energy: 0.6494115375559321
Energy: 0.6027283980979103
Energy: 0.6494115375284556
Energy: 0.4640538514670297
Energy: 0.5966210818201889
Energy: 0.5594825639131012
Energy: 0.5966210817667295
Energy: 0.595538276712335
Energy: 0.6207502733639702
Energy: 0.4910534630760712
Energy: 0.6207502733731407
Energy: 0.5973645494580667
Energy: 0.6808121238313745
Energy: 0.5659065626787516
Energy: 0.680812123732827
Energy: 0.5888500454510192
Energy: 0.6451951280930716
Energy: 0.6254232358117942
Energy: 0.6451950654798156
Energy: 0.6134059351746413
Energy: 0.6781140819911754
Energy: 0.5997051486175622
Energy: 0.6781140820026386
Energy: 0.5533715628904664
Energy: 0.705878129051857
Energy: 0.6688534687213735
Energy: 0.7058781290381014
Energy: 0.6659987866636241
Energy: 0.7003946633443296
Energy: 0.5746820993230406
Energy: 0.7003946633771556
Energy: 0.6742381112087116
Energy: 0.6834249498656663
Energy: 0.5147989687792752
Energy: 0.6834249499214532
Energy: 0.6497375536843418
Energy: 0.7141963485652046
Energy: 0.5692728603109025
Energy: 0.7141963483177066
Energy: 0.6628343614613957
Energy: 0.7258941563472092
Energy: 0.6223977024505479
Energy: 0.7258941563395672
Energy: 0.5764654735044569
Energy: 0.7316828431974742
Energy: 0.6821391457532923
Energy: 0.7316828431913606
Energy: 0.5957529350826456
Energy: 0.7377708977296665
Energy: 0.6288546288637447
Energy: 0.7377708977296665
Energy: 0.6614585314284066
Energy: 0.7212156889594787
Energy: 0.6710372864484063
Energy: 0.7212156889854616
Energy: 0.6227302724060715
Energy: 0.7467991431951448
Energy: 0.600126472489224
Energy: 0.7467991431943806
Energy: 0.6876412977182887
Energy: 0.7104309827268621
Energy: 0.5045322828731449
Energy: 0.7104309826970928
Energy: 0.6476412284721976
Energy: 0.7202018598527721
Energy: 0.6412029803577357
Energy: 0.7202018598497153
Energy: 0.5884241903614538
Energy: 0.7309047223331655
Energy: 0.6882065741689086
Energy: 0.730904718007423
Energy: 0.6103540906918443
Energy: 0.7040234822362953
Energy: 0.6827519044679514
Energy: 0.7040234822324744
Energy: 0.624264720035256
Energy: 0.6796743183103177
Energy: 0.6534766731226201
Energy: 0.6796743183660698
Energy: 0.6554167430944043
Energy: 0.727257225812394
Energy: 0.6066537568488427
Energy: 0.7272572258154506
Energy: 0.6243252863103683
Energy: 0.6391006906500601
Energy: 0.5899955425634718
Energy: 0.6391006920540421
Energy: 0.5631876086294263
Energy: 0.6538090494262215
Energy: 0.5874607890082311
Energy: 0.6538090498845356
Energy: 0.5626706584332495
Energy: 0.5340816371508755
Energy: 0.5906589666806423
Energy: 0.5340816371455261
Energy: 0.4869107116290426
Energy: 0.6127831635581876
Energy: 0.4994559780618017
Energy: 0.6127831635589518
Energy: 0.5416242401459467
Energy: 0.5960589989477639
Energy: 0.4738427299057786
Energy: 0.596058998930222
Energy: 0.5863559899700496
Energy: 0.5028120933715498
Energy: 0.4915843579839158
Energy: 0.5028120933814844
Energy: 0.4349058589651764
Energy: 0.44158133525335636
Energy: 0.4241161187310281
Energy: 0.44158133522966597
Energy: 0.4367868220522604
Energy: 0.47533366119201936
Energy: 0.4953656719489696
Energy: 0.47533366116759956
Energy: 0.4710804956251322
Energy: 0.49354928612848875
Energy: 0.5214234370402568
Energy: 0.49354930226740235
Energy: 0.31618683548537035
Energy: 0.21378813745304504
Energy: 0.3121520291642493
Energy: 0.213788136340086
Energy: 0.41785967894536763
Energy: 0.27960771314705984
Energy: 0.30618858751694655
Energy: 0.2796077137879492
Energy: 0.4372250293718324
Energy: 0.46287428833072536
Energy: 0.38218004121451776
Energy: 0.4628742883261402
Energy: 0.31006474177817833
Energy: 0.29383762807467734
Energy: 0.39353673358554336
Energy: 0.2938376280685637
Energy: 0.29768084713997167
Energy: 0.4042360095757509
Energy: 0.2861070536225816
Energy: 0.4042360096948973
Energy: 0.4140602514340653
Energy: 0.278106085096021
Energy: 0.3106194518634097
Energy: 0.2781060851021346

minimum gb energy = 0.14540240015857356 eV
minimum distance =  2.51276553447216 Angstroms
sigma value = 113


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

Energy: 0.019518640825916454
Energy: 0.25576768849477033
Energy: 1.5439460210924658
Energy: 0.020453134771224908
Energy: -0.012882797133076742
Energy: 0.2246203129770093
Energy: -0.014278448993934078
Energy: 0.22462031297815163
Energy: -0.008188674098646893
Energy: 0.2327957014181013
Energy: 0.010076582383684385
Energy: 0.23279570142038594
Energy: -0.014627798582224839
Energy: 0.2522191736535139
Energy: 0.020126992578057418
Energy: 0.2522191736529591
Energy: -0.011900118929834719
Energy: 0.217335395845255
Energy: -0.012596160352489302
Energy: 0.2173353958469848
Energy: 0.011080849097972177
Energy: 0.23867518593273676
Energy: -0.007527569561362351
Energy: 0.23867518593214926

minimum gb energy = -0.014627798582224839 eV
minimum distance =  2.69197680924554 Angstroms
sigma value = 1