Model name: model_name=MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391771733761
cohesive_energy=4.450350014499072
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083898807843395e-19, 4.2789331364237998e-19, 4.67463872148912e-19, 5.0148609297190195e-19, 5.31123156347634e-19, 5.571569244734999e-19, 5.8014014828823e-19, 6.00481382833494e-19, 6.1849625690619e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-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: 0.020466030761368027
Energy: 0.17529566033466326
Energy: 0.17623637265383899
Energy: 0.17570109397593717
Energy: 0.025542451273948764
Energy: 0.022418096703275537
Energy: 0.17447547803776028
Energy: 0.17628642191753788
Energy: 0.17538725735093563
Energy: 0.024555265867631564
Energy: 0.17466116515895014
Energy: 0.17517544159488177
Energy: 0.17496048458855032
Energy: 0.17467265953872205
Energy: 0.17707363122142258
Energy: 0.17509196489838186
Energy: 0.1753356528657548
Energy: 0.17469763058117976
Energy: 0.17378674328811247
Energy: 0.17683981120295852
Energy: 0.17505644122631597
Energy: 0.024963644572083516
Energy: 0.021093135817812712
Energy: 0.17647670331552187
Energy: 0.17686709195148423
Energy: 0.17479486814301978
Energy: 0.023870818555615316
Energy: 0.02101922698272904
Energy: 0.17485656475613712
Energy: 0.17528888149401034
Energy: 0.17472599950035186
Energy: 0.021579816734248615
Energy: 0.021952035935925474
Energy: 0.17480735150428137
Energy: 0.17418465266876346
Energy: 0.17572816740790484
Energy: 0.021909990728691604
Energy: 0.02133588114574688
Energy: 0.17380475343960813
Energy: 0.17406320363036645
Energy: 0.17516172758175286
Energy: 0.17511198721894297
Energy: 0.17549560464145234
Energy: 0.02256873802815525
Energy: 0.02143901873614307
Energy: 0.17487485952288165
Energy: 0.17611085563950818
Energy: 0.17549512027746805
Energy: 0.023513564241988173
Energy: 0.173951253247877
Energy: 0.1750009272775054
Energy: 0.17697906191443633
Energy: 0.1761095665293945
Energy: 0.02175107342233202
Energy: 0.020989698516026462
Energy: 0.1751077749436994
Energy: 1.117708694705797
Energy: 0.17650366606191206
Energy: 0.022202239946080567
Energy: 0.020898644650931688
Energy: 0.02091742563177506
Energy: 0.1760176339968205
Energy: 0.17442059311470515
Energy: 0.1768379527374296
Energy: 0.17642538220766782
Energy: 0.020979827600882316
Energy: 0.1760771335887842
Energy: 0.17405802083641708
Energy: 0.17632993246386172
Energy: 0.17642533659801812

minimum gb energy = 0.020466030761368027 eV
minimum distance =  2.45837319198207 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.9237729955791791
Energy: 1.7359167337997603
Energy: 1.603917749053581
Energy: 1.5995693937552014
Energy: 1.812616122447733
Energy: 1.7543515995697323
Energy: 1.7976765709822047
Energy: 1.5995930918127885
Energy: 1.596833465224258
Energy: 1.7384675275722368
Energy: 1.6393326431911988
Energy: 1.756151963171436
Energy: 1.6034043770592723
Energy: 1.4569362233866832
Energy: 1.34817109691152
Energy: 1.357063396782934
Energy: 1.624377315451998
Energy: 1.6110466746864458
Energy: 1.468019930485573
Energy: 1.6193894123512
Energy: 1.5657186169028174
Energy: 1.4032681793970219
Energy: 1.7650436505188745
Energy: 1.3332657896846323
Energy: 1.5929750629041914
Energy: 1.3254342021431251
Energy: 1.764955180740055
Energy: 1.681908667100306
Energy: 1.5965068103684072
Energy: 1.5902839020333654
Energy: 1.618736352446456
Energy: 1.6022010473756987
Energy: 1.584738467479941
Energy: 1.3387180755164478
Energy: 1.5933541115794398
Energy: 1.326538653110686
Energy: 1.6121533301029776
Energy: 1.5840705214575974
Energy: 1.3502262794179833
Energy: 1.588106883457771
Energy: 1.826802581804846
Energy: 1.756959282804245
Energy: 1.8123495538835326
Energy: 1.830605830749684
Energy: 1.3441717560493438
Energy: 1.7893804677515623
Energy: 1.638495267291008
Energy: 1.6303749438715143
Energy: 1.8300796989648955
Energy: 1.3458626487803953
Energy: 1.6806737177464732
Energy: 1.9376212989439778
Energy: 1.811985532120583
Energy: 1.4873441821612994
Energy: 1.95803385116424
Energy: 1.5943706958635082
Energy: 1.9428756536966327
Energy: 1.328824291255331
Energy: 1.6151605976383336
Energy: 1.3343386991898818
Energy: 1.6252004711928005
Energy: 1.696570124225997
Energy: 1.7531563993851678
Energy: 1.5310607162127767
Energy: 1.6283007472038014
Energy: 1.6293905175986103
Energy: 1.6330054997731573
Energy: 1.8281529266288739
Energy: 1.5667516665438996
Energy: 1.6249978752096128
Energy: 1.621735941768684
Energy: 1.7119904481940482
Energy: 1.3810734473688935
Energy: 1.531755437296616
Energy: 1.7136751770518432
Energy: 1.623269091896079
Energy: 1.7823206951405584
Energy: 1.7612479135850052
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Energy: 1.6301793455893283
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Energy: 1.6330609088448913
Energy: 1.483432308037795
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Energy: 1.5124464676253249
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Energy: 1.3560955329552213
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Energy: 1.3527297037100725
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Energy: 1.7634065925096443
Energy: 1.5636525892413282
Energy: 1.5373624407782278
Energy: 1.6334367067908016
Energy: 1.7749656288981466
Energy: 1.7596983872472343
Energy: 1.7543440567429187
Energy: 1.8273845198201748
Energy: 1.6267142795807632
Energy: 1.6320485523967072
Energy: 1.7760514480035696
Energy: 1.870696901382894
Energy: 1.7609049608159424
Energy: 1.626218381418055
Energy: 1.6244151556479407
Energy: 1.8298582962900196
Energy: 1.384704454691736
Energy: 1.766471669536035
Energy: 1.6242371268159275
Energy: 1.4956133089817178
Energy: 1.5440527987066925
Energy: 1.4340163408243063
Energy: 1.9808891073169776
Energy: 1.6943473205641402
Energy: 1.4835606946317972
Energy: 1.3555896527819589
Energy: 1.3328716506859393
Energy: 1.7944678820925075
Energy: 1.7000100724339882
Energy: 1.5169354106766755
Energy: 1.603137811639379
Energy: 1.5019818478080131
Energy: 1.5847966661552695
Energy: 1.415536656120731
Energy: 1.4144828179587612
Energy: 1.516456645962735
Energy: 1.329965525810524
Energy: 1.421039539302011
Energy: 1.5841494092751662
Energy: 1.3658726458593242
Energy: 1.403631737061298
Energy: 1.4909211716298842
Energy: 1.418293549739843
Energy: 1.5848723012368287
Energy: 1.3294376727832222
Energy: 1.4026115793035094
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Energy: 1.6338144256233988
Energy: 1.627632862910573
Energy: 1.827139567293398
Energy: 1.359510715877974
Energy: 1.837352978326036
Energy: 1.6718077065373478
Energy: 1.8086690537594252
Energy: 1.8418147829645166
Energy: 1.349058909941513
Energy: 1.6830581988452686
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Energy: 1.6426908209215105
Energy: 1.6075461006001168
Energy: 1.8967044914397084
Energy: 1.582880390236246
Energy: 1.9357036971474078
Energy: 1.4878341199330898
Energy: 1.5891007294620636
Energy: 1.4894196806044513
Energy: 1.6294703563055284
Energy: 1.6368117247285976
Energy: 1.643169465925694
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Energy: 1.623749080591912
Energy: 1.7622844646160856
Energy: 1.8730437961018414
Energy: 1.7374528774344782
Energy: 1.5310906761455434
Energy: 1.6302497494070487
Energy: 1.6223170607599229
Energy: 1.7875588201025534
Energy: 1.7215723018449371
Energy: 1.9191291749001034
Energy: 1.7171710498531916
Energy: 1.6215883104449296
Energy: 1.715878322667626
Energy: 1.638925799268212
Energy: 1.5343446696867449
Energy: 1.6270724356986
Energy: 1.6329864299812369
Energy: 1.4788233618838764
Energy: 1.3678169324026532
Energy: 1.6384792362494338
Energy: 1.7229536502152891
Energy: 1.6312168710419623
Energy: 1.49687096846982
Energy: 1.4433419651783468
Energy: 1.832990358113666
Energy: 1.709676160414849
Energy: 1.4906690027804124
Energy: 1.5981909293649652
Energy: 1.3359582553298115
Energy: 1.3900409812094214
Energy: 1.6673529082907643
Energy: 1.5015949156507862
Energy: 1.6064578124647588
Energy: 1.5136774566370557
Energy: 1.3571467703371987
Energy: 1.665179443666772
Energy: 1.4810528316104306
Energy: 1.3302148163567311
Energy: 1.6057933149473214
Energy: 1.4454461478168426
Energy: 1.7635089291077848
Energy: 1.5472824971485102
Energy: 1.488161647310295
Energy: 1.6204349448409947
Energy: 1.4904173842561732
Energy: 1.6739624577498549
Energy: 1.832402202679375
Energy: 1.5189726842676787
Energy: 1.5163141901005663
Energy: 1.7594704144470075
Energy: 1.708920975570453
Energy: 1.576419402882498
Energy: 1.339083630869189
Energy: 1.5083429062713787
Energy: 1.8809728202070841
Energy: 1.8457653865934585
Energy: 1.8424807184157908
Energy: 1.5866856543326864
Energy: 1.872688349127175
Energy: 1.9331770511077444
Energy: 1.6141730980914724
Energy: 1.323868884560584
Energy: 1.8291857555222504
Energy: 1.6171584474188154
Energy: 1.92802138195409
Energy: 1.6831698923149667
Energy: 1.5847787924715928
Energy: 1.614026565135516
Energy: 1.607268670928337
Energy: 1.7524284050932464
Energy: 1.6227600937129147
Energy: 1.3591508458990293
Energy: 1.3489765366411783
Energy: 1.5977984672719092
Energy: 1.7352343626027844
Energy: 1.8315002614457812
Energy: 1.93014259601184
Energy: 1.7389890883558212
Energy: 1.6066404804945482
Energy: 1.5988305834048218
Energy: 1.8155652311388701
Energy: 1.759946400311096
Energy: 1.8178024971284643
Energy: 1.6024808368449281
Energy: 1.5975941912648974
Energy: 1.8035856244560007

minimum gb energy = 1.323868884560584 eV
minimum distance =  2.18832442508964 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.497951106965939
Energy: 1.8986549569329716
Energy: 1.5419450590265924
Energy: 1.5748390747953858
Energy: 1.9123362134288542
Energy: 2.3141647628336908
Energy: 1.9167645123789885
Energy: 1.5604825160553175
Energy: 1.5872567338125134
Energy: 1.8192348816731436
Energy: 1.6688688859120848
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Energy: 1.5603642167008762
Energy: 1.5826380552222505
Energy: 1.5204858426480439
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Energy: 1.4722379893178985
Energy: 1.6031664999749018
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Energy: 1.5855144724475656
Energy: 1.7799189877853774
Energy: 1.9084199477222035
Energy: 1.9084453254732872
Energy: 1.5494251380034973
Energy: 1.5975743393208217
Energy: 1.5399534671883943
Energy: 1.9082437887309203
Energy: 1.9083509562572316
Energy: 1.5585663986838552
Energy: 1.5818261664411604
Energy: 1.4586787427124397
Energy: 1.5309021197503947
Energy: 1.6444447473415205
Energy: 1.5390327952254987
Energy: 1.568249897632376
Energy: 1.4555068848601642
Energy: 1.5312595449876067
Energy: 1.5214553054286748
Energy: 1.6972314451404034
Energy: 1.5687123856891951
Energy: 1.488090996915035
Energy: 1.527809151668607
Energy: 1.8966114307131354
Energy: 1.6370808753737058
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Energy: 1.516532098573704
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Energy: 1.5941836170239423
Energy: 1.9692604920629866
Energy: 1.594504953853317
Energy: 1.5582925445648188
Energy: 1.975550772591458
Energy: 1.9361080008227696
Energy: 1.602273093800775
Energy: 1.6183375150773822
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Energy: 2.030496241790983
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Energy: 1.5987929576978468
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Energy: 1.5618496289312862
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Energy: 1.673128159472969
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Energy: 1.4801756037463634
Energy: 1.6236254213124646
Energy: 1.4991735773753243
Energy: 1.5682579403614083
Energy: 1.7599943043960249
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Energy: 1.911446492566259
Energy: 1.5790053609677828
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Energy: 1.516996036924088
Energy: 1.494720076287886
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Energy: 1.620345187157574
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Energy: 1.924061744463722
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Energy: 1.507473446522654
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Energy: 1.9082513401131551
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Energy: 1.4794178706925225
Energy: 1.5229506301714415
Energy: 1.5400895528625158
Energy: 1.634651375372828
Energy: 1.5811219598008415
Energy: 1.5834858031863126
Energy: 1.5479909677021741
Energy: 1.5177449672003227
Energy: 1.5949081741651834
Energy: 1.5817261843243577
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Energy: 1.5681721646011648
Energy: 1.5249921403650957
Energy: 1.5694313502206885
Energy: 1.6497775144357054
Energy: 1.521012474826946
Energy: 1.4755162470221388
Energy: 1.4966868852801398
Energy: 1.6046477572791542
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Energy: 1.562876468012186
Energy: 1.5269120587474694
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Energy: 1.9090426587874672
Energy: 1.578547858448812
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Energy: 1.567830210434013
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Energy: 1.5681771744431692
Energy: 1.567287240137866
Energy: 1.693896498399687
Energy: 1.9084863673873114
Energy: 1.6097278640567403
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Energy: 1.6182282019238998
Energy: 1.578031346040044
Energy: 1.5594018493626605
Energy: 1.6680228524830865
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minimum gb energy = 1.4526080222113624 eV
minimum distance =  2.25216163165635 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.660120723328827
Energy: 1.608451212504008
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Energy: 1.6093449944621847
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Energy: 1.6078584422473494
Energy: 1.6238836994518533
Energy: 1.6138312057772262
Energy: 1.7195897976868093
Energy: 1.6067262195668106
Energy: 1.640141366893231
Energy: 1.6604799191392539
Energy: 1.6420087627761781
Energy: 1.7724776378009162
Energy: 1.625228006978904
Energy: 1.6630937691802439
Energy: 1.662601970804291
Energy: 1.6096396919440308
Energy: 1.7267713936364615
Energy: 1.7599789538458361
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Energy: 1.6093317002320546
Energy: 1.6074908099969385
Energy: 1.683483239848559
Energy: 1.6056805815741604
Energy: 1.497576311200559
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Energy: 1.6065217178142253
Energy: 1.7252789592195101
Energy: 1.7474442625834434
Energy: 1.5953040891723353
Energy: 1.6076265989655358
Energy: 1.6177428296787382
Energy: 1.5077354401035121
Energy: 1.6564696419306435
Energy: 1.5951311478331633
Energy: 1.606826133816571
Energy: 1.6062901656191486
Energy: 1.6454373089419687
Energy: 1.6389169398533237
Energy: 1.8410733980713052
Energy: 1.6565168200282943
Energy: 1.7647163908167236
Energy: 1.753753445408165
Energy: 1.532821620902532
Energy: 1.8439573243773073
Energy: 1.6658641952256588
Energy: 1.7647611375225811
Energy: 1.7563335743894593
Energy: 1.6415485033718848
Energy: 1.5122244574650592
Energy: 1.5308431233524638
Energy: 1.577327278634891
Energy: 1.6170239867749427
Energy: 1.5851888405930776
Energy: 1.5872323509360406
Energy: 1.5193946794870339
Energy: 1.5887573740179166
Energy: 1.60580607449108
Energy: 1.7265494105351469
Energy: 1.5122164518764094
Energy: 1.5185310069106241
Energy: 1.5194107691978238
Energy: 1.5384833784282284
Energy: 1.7020508357231126
Energy: 1.506789651407059
Energy: 1.5071855578998476
Energy: 1.5087811198298802
Energy: 1.557440953995496

minimum gb energy = 1.4320263530045922 eV
minimum distance =  2.24937219353004 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.7299089416203752
Energy: 1.501101794869534
Energy: 1.414693706766789
Energy: 1.5403138935983105
Energy: 1.5841751487102997
Energy: 1.7308871135627515
Energy: 1.501055981086018
Energy: 1.4139818474992853
Energy: 1.5395278826172674
Energy: 1.5839636247995308
Energy: 1.6455920423336057
Energy: 1.7047196853949962
Energy: 1.5046212061694202
Energy: 1.5041475476520503
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Energy: 1.5051445123192364
Energy: 1.5018425317894846
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Energy: 1.518029643247528
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Energy: 1.5007900098046643
Energy: 1.5405896947816096
Energy: 1.5131532379519108
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Energy: 1.5409412013768236
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Energy: 1.5413169061417342
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Energy: 1.5027526794914137
Energy: 1.517546974671329
Energy: 1.3922566631458018
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Energy: 1.6482316451155925
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Energy: 1.5392731128702821
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Energy: 1.684250804344527
Energy: 1.5188428663658082
Energy: 1.50853807803458
Energy: 1.5046121032720738
Energy: 1.530799299677183
Energy: 1.6832298625646784
Energy: 1.6100597660960185
Energy: 1.5075801651037528
Energy: 1.503718081484639
Energy: 1.6376375503920462
Energy: 1.5316983634282972
Energy: 1.7401323946006744
Energy: 1.5019717419415282
Energy: 1.518711207117885
Energy: 1.4137807244291245
Energy: 1.6672398874041896
Energy: 1.7407969075543446
Energy: 1.5017157493093436
Energy: 1.5184023675890954
Energy: 1.413849517838477
Energy: 1.5036957937710567
Energy: 1.60101142668482
Energy: 1.5339543343595834
Energy: 1.3862811668011377
Energy: 1.5023466642823433
Energy: 1.5047007394486553
Energy: 1.536280873842396
Energy: 1.535109941744491
Energy: 1.3922031238583115
Energy: 1.50239067942004
Energy: 1.57094468586463
Energy: 1.5339832016926078
Energy: 1.569774485912284
Energy: 1.4133765141399446
Energy: 1.5340187739087823
Energy: 1.6403184035531568
Energy: 1.5112643443493217
Energy: 1.5692587228796924
Energy: 1.4120088008920202
Energy: 1.5345172588888554

minimum gb energy = 1.3862811668011377 eV
minimum distance =  2.26874992133036 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

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Energy: 1.4416552010053258
Energy: 1.3981175742697494
Energy: 1.3108827206738158
Energy: 1.2541389135290022
Energy: 2.447906369743316
Energy: 1.3941514626374643
Energy: 1.4132698712249798
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Energy: 1.475672048591562
Energy: 1.403786153156627
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Energy: 1.3931854808913884
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Energy: 1.383590459946133
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Energy: 1.3077969591092358
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Energy: 1.388979822645327
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Energy: 1.3077409311950405
Energy: 1.3662480153231622
Energy: 1.3889050667553922
Energy: 1.3921977400231351
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Energy: 1.3813305056584768
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Energy: 1.4234902701667795
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Energy: 1.3219965895305095
Energy: 1.8192934409002008
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Energy: 1.3587347225617303
Energy: 1.3328804736649091
Energy: 1.3909857623394246
Energy: 1.3844999139166705
Energy: 1.3341839539592086
Energy: 1.3856375905941096
Energy: 1.3328137000377362
Energy: 1.3846748436820024
Energy: 1.3831809845938288
Energy: 1.331744945938182
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Energy: 1.3331712924150216
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Energy: 1.3443039759621547
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Energy: 1.3820170361602602
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Energy: 1.441327349791805
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Energy: 1.9725434278582044
Energy: 1.4498585757283515
Energy: 1.4769281587868632
Energy: 1.438881731607704
Energy: 1.4252648355144206
Energy: 1.4789715684706564
Energy: 1.4688162668848266
Energy: 1.5101088322379357
Energy: 1.3934814239345108
Energy: 1.3900842995421576
Energy: 1.4486814508336758
Energy: 1.4658592188743438
Energy: 1.768831700443159
Energy: 1.393903333397789
Energy: 1.3904667964265522
Energy: 1.355209070315191
Energy: 1.4161181191738739
Energy: 1.3887569272692228
Energy: 1.3902271799746992
Energy: 1.3982776937777364
Energy: 1.3558233939148034
Energy: 1.410656330543444
Energy: 1.3887394357932739
Energy: 1.4007354886150412
Energy: 1.392826637418384
Energy: 1.4108928814245285
Energy: 1.3938864425633115
Energy: 1.451060087456233
Energy: 1.460824430484398
Energy: 1.4829542699330873
Energy: 1.4133677448733384
Energy: 1.3983519244317966
Energy: 1.4484229370633874
Energy: 1.4563664089410668
Energy: 1.4820090806093145
Energy: 1.4107301103933818
Energy: 1.3798867146006621
Energy: 1.318478891415926
Energy: 1.3156956265142645
Energy: 1.3074430021247656
Energy: 1.4231378962082932
Energy: 1.3800600815180835
Energy: 1.309459657139792
Energy: 1.3110578393035566
Energy: 1.3121809037360597
Energy: 1.3788374870211355
Energy: 2.230296756729126
Energy: 1.3456004232586347
Energy: 1.3389626015480545
Energy: 1.372129439069492
Energy: 1.377955430850427
Energy: 2.2346822093892853
Energy: 1.3249042170440435
Energy: 1.3341361233418192
Energy: 1.373222046977561
Energy: 1.4191460054843927
Energy: 1.452038660343182
Energy: 1.398383968330737
Energy: 1.3209282096859496
Energy: 1.281978647234752
Energy: 1.359802312796787
Energy: 1.413850670560924
Energy: 1.3737612477725927
Energy: 1.3209123781759236
Energy: 1.316517592537103
Energy: 1.519372563479262
Energy: 1.3357705878181036
Energy: 1.3804824800154993
Energy: 1.3806471139229548
Energy: 1.4116010395675334
Energy: 1.3849413799260382
Energy: 1.3106747606181701
Energy: 1.3625075056590708
Energy: 1.3639550042993618
Energy: 1.4494540522985688

minimum gb energy = 1.2541389135290022 eV
minimum distance =  2.2843041100214 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.7855183907609058
Energy: 1.141691317520847
Energy: 1.1206834084304245
Energy: 1.0587606338885907
Energy: 0.6316719887109471
Energy: 0.6319763836313145
Energy: 0.981116728983622
Energy: 1.0965641353076732
Energy: 1.056240447922698
Energy: 0.786433847230472
Energy: 1.0699192260605497
Energy: 1.0322037596183051
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Energy: 1.0230066334913597
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Energy: 0.5793242172627735
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Energy: 1.0546809735602511
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Energy: 0.578003758951906
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Energy: 1.0448958093274485
Energy: 1.0314895640988713
Energy: 1.0871838523524937
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Energy: 1.0094861600354488
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Energy: 1.0982378593715652
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Energy: 1.0650763511358377
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Energy: 1.050984026847867
Energy: 1.0561034829423694
Energy: 1.0653232394481376
Energy: 0.5782625979891641
Energy: 0.5781091958510852
Energy: 1.0332870643270953
Energy: 1.0574472438239484
Energy: 1.041796055888898
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Energy: 1.0839119509722788
Energy: 1.055966344225154
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Energy: 1.0543943599570136
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Energy: 1.1092976004442923
Energy: 1.1166231331759064
Energy: 0.5784391952420075
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Energy: 1.1066121379627332
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Energy: 1.0939653552259352
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Energy: 0.5782097596784095
Energy: 1.106165150853317
Energy: 1.062524656643301
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Energy: 0.5782455485672288
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Energy: 1.060468510591499
Energy: 1.0846825183057103
Energy: 1.0257150412361493
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Energy: 1.022362361782425
Energy: 1.1047677599802823
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Energy: 1.021688345124212
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Energy: 1.0309951551296037
Energy: 1.0647273481666018
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Energy: 1.1257077449583741
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Energy: 1.09319448875575
Energy: 1.1025744756408096
Energy: 1.10358222169973
Energy: 0.6268388941859968
Energy: 1.0853674707672851
Energy: 1.1250707739622068
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Energy: 1.0882363824403811
Energy: 0.6311178546132973
Energy: 0.5783202088122825
Energy: 1.1132790540070565
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Energy: 1.0374904571083552
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Energy: 0.5783225421647398
Energy: 1.110326357568487
Energy: 1.0757213065237023
Energy: 0.5785978251616031
Energy: 0.5775872504289995
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Energy: 1.0502000000432121
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Energy: 0.6314594868145122
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Energy: 0.6258122000587214
Energy: 0.578820136001331
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Energy: 1.0635372205677043
Energy: 1.0822975399015582
Energy: 0.5274755194717401
Energy: 0.5267485468222527
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Energy: 1.0805543033326372
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Energy: 1.2047213433015083
Energy: 1.1247142787088207
Energy: 1.129006048353185
Energy: 1.0915067849600626
Energy: 1.1184434854327492
Energy: 0.9807646609280644
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Energy: 1.0870875445466683
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Energy: 0.526234567353921
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Energy: 1.0757027327895505
Energy: 1.0094546514279628
Energy: 0.5261100714278248
Energy: 0.526253941015633
Energy: 1.084694395984545
Energy: 1.0698997509981496
Energy: 1.0388524845261917
Energy: 1.0811653794923242
Energy: 0.5751782497722103
Energy: 1.0636600522413242
Energy: 1.06532283045184
Energy: 0.9980490723488752
Energy: 1.0383224479454758
Energy: 1.0724770832955497
Energy: 1.0139269914377813
Energy: 1.0673632538847944
Energy: 1.071181059140987
Energy: 0.6277872391941709
Energy: 0.9843169977927776
Energy: 1.1004167687061757
Energy: 1.0500530633323173
Energy: 1.0883541731345263
Energy: 0.6286750421101138
Energy: 0.9931805764095185
Energy: 1.1276878598508986
Energy: 1.0815932151992416
Energy: 0.5791188211633087
Energy: 0.5779772587378945
Energy: 1.0426252469457502
Energy: 1.056160230795581
Energy: 1.077712708542909
Energy: 0.6303667112283211
Energy: 0.6300487743126892
Energy: 1.0127466938030638
Energy: 1.0369362157077031
Energy: 1.0640138538016806
Energy: 1.0166274578785721
Energy: 1.0235917099097283
Energy: 1.0365419381964718
Energy: 1.0563020667312195
Energy: 0.9992775187164956
Energy: 0.9951210426679686
Energy: 1.0840717592195508
Energy: 1.0396620686539257
Energy: 1.0368936837050826
Energy: 1.0308018649581345
Energy: 0.7868598693660608
Energy: 1.1056940672060511
Energy: 1.123644371595067
Energy: 1.106127910521485
Energy: 0.9867324329856041
Energy: 0.6314513992481379
Energy: 1.0425636553250424
Energy: 1.0975732612727365
Energy: 1.093052818035134
Energy: 0.7864553532563413

minimum gb energy = 0.5261100714278248 eV
minimum distance =  2.3692604419915 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 2.190210098220516
Energy: 1.2165246862935777
Energy: 1.1703126776763808
Energy: 1.171129666441517
Energy: 1.2183545223020729
Energy: 2.1907621776249067
Energy: 1.2174829037778805
Energy: 1.17106583789637
Energy: 1.170892935684349
Energy: 1.218503416440113
Energy: 1.2644662956237025
Energy: 1.1703651294410182
Energy: 1.1715546196889324
Energy: 1.1699236337652528
Energy: 1.2169649980508357
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Energy: 1.256125859788759
Energy: 1.1702249124198505
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Energy: 1.2388864560411017
Energy: 1.2190555802457168
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Energy: 1.1704262319567444
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Energy: 1.2193402159900697
Energy: 1.2544902178588588
Energy: 1.2198990687982316
Energy: 1.170145948793133
Energy: 1.2161242462704882
Energy: 1.36009210596904
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Energy: 1.2203794861188622
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Energy: 1.2209350569657262
Energy: 1.2640900052431843
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Energy: 1.2204353044245373
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Energy: 1.2640456465134111
Energy: 1.2165571587706374
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Energy: 1.3429886929226587
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Energy: 1.2947160058178921
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Energy: 1.3107729041341725
Energy: 1.4860351424366929
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Energy: 1.221362684902923
Energy: 1.3389718617758375
Energy: 1.4676504570977233
Energy: 1.21682728435808
Energy: 1.2210306836557083
Energy: 1.5168431333600947
Energy: 1.2200569509104628
Energy: 1.4239373013723384
Energy: 1.2201365849129606
Energy: 1.2204071046448952
Energy: 1.36982217875867
Energy: 1.2201717172876037
Energy: 1.2975468748329173
Energy: 1.2202336721945621
Energy: 1.2203966145521536
Energy: 1.4548696666474843
Energy: 1.3350042384088436
Energy: 1.2203947655492158
Energy: 1.220084983842899
Energy: 1.2204365229478744
Energy: 1.4092260167113961
Energy: 1.2640180383294715
Energy: 1.2203592609723106
Energy: 1.220289652075707
Energy: 1.2203932625645566
Energy: 1.2876736392869117
Energy: 1.2169543931760725
Energy: 1.3462809667668085
Energy: 1.3682291111438964
Energy: 1.218630133772304
Energy: 1.2908308970468094
Energy: 1.2169554068308819
Energy: 1.4877416584817553
Energy: 1.3876111566932159
Energy: 1.2195665225348034
Energy: 1.5033800270514748
Energy: 1.4950792000325754
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Energy: 1.2169184226087908
Energy: 1.357548958307746
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Energy: 1.2609192633015827
Energy: 1.2172261315737887
Energy: 1.216561475026681
Energy: 1.3438158455428282
Energy: 1.218996078544338
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Energy: 1.2181452155246633
Energy: 1.2196691908688941
Energy: 1.3449245752706194
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Energy: 1.216377812149275
Energy: 1.2648446397509419
Energy: 1.221045149471813
Energy: 1.222366018383657
Energy: 1.170090510946661
Energy: 1.2167024383486924
Energy: 1.2651115521959806
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Energy: 1.2204379564038172
Energy: 1.2182899075026532
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Energy: 1.3063422141019705
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Energy: 1.29854487633943
Energy: 1.2175057174184407
Energy: 1.1725556243734192
Energy: 1.2205219285548263
Energy: 1.4013978797346118

minimum gb energy = 1.1573280860808717 eV
minimum distance =  2.26715708599287 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 2.042773901223287
Energy: 1.6091118979834647
Energy: 1.5776076355367976
Energy: 1.6008787469954078
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Energy: 1.6717117322259591
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Energy: 1.666590366359133
Energy: 1.667548739562836
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Energy: 1.8989021085552844
Energy: 1.603004397088512
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Energy: 1.6026574697170624
Energy: 1.7454705541674425
Energy: 1.8997387607096494
Energy: 1.6015932896960103
Energy: 1.5689617475469715
Energy: 1.6026983244953046
Energy: 1.6415226951805522
Energy: 1.5801511878680197
Energy: 1.5713607518702322
Energy: 1.6124728735172604
Energy: 1.6015493925819382
Energy: 1.6405401112873663
Energy: 1.5812149068866563
Energy: 1.5712759745883889
Energy: 1.6127786780491848
Energy: 1.6025901349051925
Energy: 1.604197827678848
Energy: 1.6016781994799023
Energy: 1.497919495985866
Energy: 1.4959438998262216
Energy: 1.6005670344325444
Energy: 1.6050897389374692
Energy: 1.6015098864137705
Energy: 1.4954940969606465
Energy: 1.4952292276454093
Energy: 1.6004342145684831

minimum gb energy = 1.391247510048101 eV
minimum distance =  2.28574146945945 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.7704968596591353
Energy: 1.8443373285402827
Energy: 1.6397888747791047
Energy: 1.83882466939726
Energy: 2.352025078890851
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Energy: 1.7515686083404134
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Energy: 1.6344848170304784
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Energy: 1.7857550367478021
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Energy: 1.7206142172997947
Energy: 1.82220423294543
Energy: 1.8575898453305195
Energy: 1.905885925657925
Energy: 1.8166819195976711
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Energy: 1.6758579441169736
Energy: 1.7400008583417061
Energy: 1.625634200939787
Energy: 1.8155200540357177
Energy: 1.8240838140761766
Energy: 1.880704173954589
Energy: 1.7442049025159374
Energy: 1.6041444045109876
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Energy: 1.645478361608419
Energy: 1.8451110290606059
Energy: 1.6147277797639459
Energy: 1.6367541435031305
Energy: 1.8172108567750802
Energy: 1.6836543699596416
Energy: 1.6434423212633944
Energy: 1.6095179917796898
Energy: 1.6291986460412637
Energy: 1.6127751873455982
Energy: 1.8222084182367457
Energy: 1.6085400568755115
Energy: 1.6054200382928627
Energy: 1.604697350084732
Energy: 1.6882802146855944
Energy: 1.8285672522076974
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minimum gb energy = 1.587015662790915 eV
minimum distance =  2.2325714815041 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.5855645753136811
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Energy: 1.6263770904576553
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Energy: 1.598487306040925
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Energy: 1.5956370319160327
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Energy: 1.5787071803495587
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Energy: 1.859571072712713
Energy: 1.7841529520973378
Energy: 1.624820699362123
Energy: 1.6095811635897774
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Energy: 1.7940956347251935
Energy: 1.7122421523617621
Energy: 2.120548273632671
Energy: 1.5971255784527785
Energy: 1.600813827244906
Energy: 1.8438992282651658
Energy: 1.7117835020737082
Energy: 2.120338366957623
Energy: 1.7299816570660087
Energy: 1.5898274604863838
Energy: 1.6160474608863447
Energy: 1.6770984593949814
Energy: 2.1212795549982086
Energy: 1.5994679582319355
Energy: 1.6190370294442498
Energy: 1.7837151086103742
Energy: 1.7520186542728926
Energy: 1.8968094354789973
Energy: 1.6007237348821162
Energy: 1.5956021077082252
Energy: 1.6195902255211496
Energy: 1.800062958459229
Energy: 1.7873846319513271
Energy: 1.601281787318592
Energy: 1.5985571027073977
Energy: 1.6191544044097337
Energy: 1.8001516940711721
Energy: 1.751958124935586
Energy: 1.603653527386983
Energy: 1.6632638628719236
Energy: 1.6849571386531006
Energy: 1.8725899511510904
Energy: 1.670838026497522
Energy: 1.604165275027683
Energy: 1.6973893497959307
Energy: 1.6846431375676594
Energy: 1.8738306275403445
Energy: 1.6725339195498954
Energy: 1.6026069276416814
Energy: 1.5789225742198032
Energy: 1.603884363703239
Energy: 1.623077418182793
Energy: 1.9464818615569879
Energy: 1.580663805398717
Energy: 1.579470443469102
Energy: 1.6040895017448638
Energy: 1.7415817252717198
Energy: 1.858573607095232
Energy: 1.604001238055508
Energy: 1.6980770608798208
Energy: 1.5992993218924745
Energy: 1.600667383251958
Energy: 1.9459116510627463
Energy: 1.604445152060575
Energy: 1.6999100302842087
Energy: 1.5993461024926283
Energy: 1.5993263003440776
Energy: 1.94524805183413
Energy: 2.119080020546696
Energy: 1.5901081119544815
Energy: 1.6027123211261023
Energy: 1.599180244343966
Energy: 1.6937057978215144
Energy: 2.1149754407493364
Energy: 1.59886135112155
Energy: 1.6048761337512503
Energy: 1.586673387621392
Energy: 1.594720976203369

minimum gb energy = 1.570219562676326 eV
minimum distance =  2.24371725963355 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.4121378155014157
Energy: 1.4484068527431568
Energy: 1.5941804240904744
Energy: 1.7544875226072312
Energy: 1.417713381627105
Energy: 1.4134542206311775
Energy: 1.4486974723004293
Energy: 1.594445231056713
Energy: 1.7549129283262088
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Energy: 1.5440117127814157
Energy: 1.4474114264537605
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Energy: 1.4490345915887324
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Energy: 1.7543156187765414
Energy: 1.4469719951080953
Energy: 1.455134156326967
Energy: 1.542423724695046
Energy: 1.4501720441574402
Energy: 1.7526989796857715
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Energy: 1.595580351774902
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Energy: 1.598541973049526
Energy: 1.4151864318173948
Energy: 1.4168633415387908
Energy: 1.450445211450836
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Energy: 1.5973899527043398
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Energy: 1.4170579959378462
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Energy: 1.5458053116745547
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Energy: 1.4479640844448125
Energy: 1.8539712224510003
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Energy: 1.7556910901452585
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Energy: 1.5938298719273638
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Energy: 1.4177015335099914
Energy: 1.4127650577555126
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Energy: 1.7547705309694481
Energy: 1.4173408636931533
Energy: 1.5439822672599832
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Energy: 1.4442176124421089
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Energy: 1.6003596080517233
Energy: 1.5978240554028842
Energy: 1.4152067962826433
Energy: 1.4169967014580351
Energy: 1.449126072879589
Energy: 1.6004223357146752
Energy: 1.5963568860602788
Energy: 1.4152284452966024
Energy: 1.417095477281879
Energy: 1.4500240163758236
Energy: 1.543015091889227
Energy: 1.7565146592436867
Energy: 1.4172483027066236
Energy: 1.41487579647676
Energy: 1.4475645217000106
Energy: 1.4483468499857637
Energy: 1.7551971333169627
Energy: 1.4172974566336323
Energy: 1.415406189347536
Energy: 1.4470298764233445
Energy: 1.4474781382752357
Energy: 1.4473858374797368
Energy: 1.594918734668022
Energy: 1.4485613810747546
Energy: 1.446775915436839
Energy: 1.4159197169190438
Energy: 1.7540305299343353
Energy: 1.5932187195146919
Energy: 1.7554014515716327
Energy: 1.4489234322282314
Energy: 1.4717052896834948
Energy: 1.5971861274105228
Energy: 1.4240561673118453
Energy: 1.4506342018273117
Energy: 1.4483570822480654
Energy: 1.5421836903372257
Energy: 1.597445469300871
Energy: 1.4233038321784655
Energy: 1.449302695497449
Energy: 1.4479021937985315
Energy: 1.4465458261556794
Energy: 1.4494228137062157
Energy: 1.5419768312803015
Energy: 1.4485249580169903
Energy: 1.4150177398427566
Energy: 1.4166688448488476
Energy: 1.556658336136098
Energy: 1.8545760275938088
Energy: 1.4481320956341888
Energy: 1.4142065633591274
Energy: 1.4171571975887143
Energy: 1.4474212543442522
Energy: 1.416867339786651
Energy: 1.4449271035493703
Energy: 1.4166831365638486
Energy: 1.5446011165310378
Energy: 1.4469580970929161
Energy: 1.441197110230787
Energy: 1.4448530375910968
Energy: 1.415927201223837
Energy: 1.4480173687339775
Energy: 1.4492819946412423
Energy: 1.447739155012665
Energy: 1.8545176020615954
Energy: 1.5962921649539203
Energy: 1.7558913200607098
Energy: 1.449063918505458
Energy: 1.4478244658408497
Energy: 1.8543538584181565
Energy: 1.4493362489810961
Energy: 1.755503344572203
Energy: 1.415657291144885
Energy: 1.4489326773876992
Energy: 1.5606615078505617
Energy: 1.5986760701673044
Energy: 1.5442104675307728
Energy: 1.4158577715260783
Energy: 1.4496151254918037
Energy: 1.4223390248571945
Energy: 1.5981582153859186
Energy: 1.5442242319721702

minimum gb energy = 1.4121378155014157 eV
minimum distance =  2.27956555809219 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.5156955265726357
Energy: 1.7713910236498125
Energy: 1.6513042789451615
Energy: 1.5771496081454204
Energy: 1.5457031507267318
Energy: 1.5443211161559742
Energy: 1.6671252438216086
Energy: 1.6555235592938489
Energy: 1.5472223593215617
Energy: 1.7451888078877282
Energy: 1.5645859373152347
Energy: 1.709969772757587
Energy: 1.5655255305083766
Energy: 1.565785416593774
Energy: 1.7352987878740764
Energy: 1.560169244045496
Energy: 1.715036190133311
Energy: 1.565257981740958
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Energy: 1.6303429110954142
Energy: 1.7101458115540378
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Energy: 1.6682891381954967
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Energy: 1.715770857687903
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Energy: 1.6396427407004501
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Energy: 1.70985977290106
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Energy: 1.7230696518083366
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Energy: 1.543591471082104
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Energy: 1.6523393304282352
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Energy: 1.8066836747749226
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Energy: 1.6870143992634177
Energy: 1.7255117002404645
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Energy: 1.579691729585952
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Energy: 1.6873256807667516
Energy: 1.7292831432402647
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Energy: 1.723898941101017
Energy: 1.6665786623559773
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Energy: 1.7955636582665602
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Energy: 1.5634302595790839
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Energy: 1.6630542745045958
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Energy: 1.5541391751758087
Energy: 1.6603805840074124
Energy: 1.6876745226899403
Energy: 1.5550194704083558
Energy: 1.5823188628559401
Energy: 1.5504461158099907
Energy: 1.680579267085316
Energy: 1.687497991547598
Energy: 1.5554543362129853
Energy: 1.877601062355725
Energy: 1.7398540349537457
Energy: 1.563018146427975
Energy: 1.5623038359929664
Energy: 1.771608647272733
Energy: 1.8247807248168666
Energy: 1.5865672789610332
Energy: 1.562589144844863
Energy: 1.5626908865699347
Energy: 1.7723798814093765
Energy: 1.8248503600010495
Energy: 1.5504972197349212
Energy: 1.563838379623575
Energy: 1.5624155736845862
Energy: 1.5639998887864897
Energy: 1.6786694283255863
Energy: 1.6092390710266251
Energy: 1.5638191255916258
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Energy: 1.5473444749776264
Energy: 1.5732562678719713
Energy: 1.5852355862397598
Energy: 1.5614004382759683
Energy: 1.7795477046316934
Energy: 1.7198913674170455
Energy: 1.7131359892696147
Energy: 1.8257959579547371
Energy: 1.5704447070180487
Energy: 1.8416732489246161
Energy: 1.7155515227721951
Energy: 1.6892669451158677
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Energy: 1.7461631370196093
Energy: 1.7701709517938742
Energy: 1.727119392521596
Energy: 1.5269592993566559
Energy: 1.5453339634080594
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Energy: 1.6224749417323183
Energy: 1.9757964033160065
Energy: 1.5434351547587035
Energy: 1.6702197695715058
Energy: 1.5650743657994934
Energy: 1.6678161470888444
Energy: 1.7408580245016751
Energy: 1.5435956515309215
Energy: 1.672266348938567
Energy: 1.564672339846639
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Energy: 1.740335972597443
Energy: 1.7218357401912647
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Energy: 1.6679231682878477
Energy: 1.697557611799498
Energy: 1.7179780362758923
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Energy: 1.8576385996634
Energy: 1.6522485327921048
Energy: 1.6544815354223728
Energy: 1.7181711644707045
Energy: 1.7233392209110112
Energy: 1.826080722579351
Energy: 1.5396189839432937
Energy: 1.7221747034847794
Energy: 1.717943282195868
Energy: 1.723182851496528
Energy: 1.828762707286126
Energy: 1.6688286655124904
Energy: 1.7221087440509146
Energy: 1.7175342289021402
Energy: 1.7386248260649784
Energy: 1.6760854655636555
Energy: 1.9508066973450187
Energy: 1.55223864395528
Energy: 1.684579876885095
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Energy: 1.6763658521178109
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Energy: 1.552858250400275
Energy: 1.651901608194767
Energy: 1.8140208872665025
Energy: 1.5524808366866862
Energy: 1.6339195806721525
Energy: 1.872552605246888
Energy: 1.881182212534612
Energy: 1.7577090767048196
Energy: 1.5529718729318394
Energy: 1.6345907473772496
Energy: 1.720308064793448
Energy: 1.880644046195408
Energy: 1.554773223781262
Energy: 1.5510462842993233
Energy: 1.634521813994042
Energy: 1.6307774470694836
Energy: 1.7976155042403452
Energy: 1.5536446971845628
Energy: 1.5518590773534044
Energy: 1.632604043107015
Energy: 1.7744120019158585
Energy: 1.7777432500410504
Energy: 1.5548533714495234
Energy: 1.5527983868915625
Energy: 1.5627621288565936
Energy: 1.6619818928060919
Energy: 1.6630655194982604
Energy: 1.5549808157128606
Energy: 1.5522726757996002
Energy: 1.5642245389208733
Energy: 1.66570076773658
Energy: 1.660228713563151
Energy: 1.6940913977444199
Energy: 1.560803297754301
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Energy: 1.679553677356165
Energy: 1.6909577740689672
Energy: 1.5665143786093458
Energy: 1.5861383095841548
Energy: 1.6618186792516036
Energy: 1.6788062304818372
Energy: 1.690769589316368
Energy: 1.5864279075626888
Energy: 1.8788227586733808
Energy: 1.6333104046601314
Energy: 1.5622548050202731
Energy: 1.5635030949310629
Energy: 1.5862918356705036
Energy: 1.87702130953548
Energy: 1.5629662969688656
Energy: 1.5626035033935846
Energy: 1.56453106710238
Energy: 1.6869009694933272
Energy: 1.587101392316781
Energy: 1.5686563542657903
Energy: 1.5593571296095317
Energy: 1.5626939558698032
Energy: 1.68560358369322
Energy: 1.5921735179708403
Energy: 1.5699587676110214
Energy: 1.559197664789734
Energy: 1.5645929937104253
Energy: 1.7111503155985004
Energy: 1.7555519286283379
Energy: 1.5432422868674354
Energy: 1.543655489767489
Energy: 1.8399835518996233
Energy: 1.71204634334892
Energy: 1.871997288154832
Energy: 1.543226128738526
Energy: 1.5440814451527545
Energy: 1.8392525334812997
Energy: 1.6148576725765398
Energy: 1.5456548102942176
Energy: 1.7673632383342708
Energy: 1.5433729236288898
Energy: 1.6682954690328973
Energy: 1.6471756699615299
Energy: 1.5448235731744475
Energy: 1.9836635135227652
Energy: 1.5441784147652406
Energy: 1.6684775993562857
Energy: 1.564325847037476
Energy: 1.6690275061631796
Energy: 1.8929430896670059
Energy: 1.7123905675454874
Energy: 1.6532475887222577
Energy: 1.5649274727716833
Energy: 1.671505963590564
Energy: 1.8289457453255544
Energy: 1.712186716697799
Energy: 1.6670949572760623
Energy: 1.6599386899102526
Energy: 1.6505135520162009
Energy: 1.7217871814811916
Energy: 1.6856044766994045
Energy: 1.737395454536408
Energy: 1.6597472807724802
Energy: 1.6533091405965514
Energy: 1.7226322237373912
Energy: 1.7096378887103574
Energy: 1.7265770834909777
Energy: 1.9408413481917515
Energy: 1.7214798316732485
Energy: 1.7177544581252413
Energy: 1.7209630334758177
Energy: 1.6973400416646574
Energy: 1.7211745591676764
Energy: 1.721222194754261
Energy: 1.7190156370511522
Energy: 1.7804492745741283
Energy: 1.6947589263232379
Energy: 1.8096521055376456
Energy: 1.6704658847326164
Energy: 1.8087788267451284
Energy: 1.7690933491601042
Energy: 2.195593568168649
Energy: 1.807581028887163
Energy: 1.5842471952685122
Energy: 1.9097567625431369
Energy: 1.7333749365811513
Energy: 2.194712876305176
Energy: 1.8775391077733021
Energy: 1.8445614815476037
Energy: 1.828448758850197
Energy: 1.7155972194129265
Energy: 1.6436178179727938
Energy: 1.8116480662490035
Energy: 1.8291107154336326
Energy: 1.8289991430818242
Energy: 1.9082074435840986
Energy: 1.553712826322413
Energy: 1.6370825878092998
Energy: 1.721136243131886
Energy: 1.5544120676288051
Energy: 1.5581446175132003
Energy: 1.553699642917743
Energy: 1.6395322473520244
Energy: 1.7405997523768886
Energy: 1.5544168785005972
Energy: 1.557905670797888
Energy: 1.5742915214302473
Energy: 1.5727994283613058
Energy: 1.6790090801842203
Energy: 1.7421563175786599
Energy: 1.5516970740786982
Energy: 1.552641114958608
Energy: 1.556740424068261
Energy: 1.6792277442503913
Energy: 1.5967855033093283
Energy: 1.551479160876965
Energy: 1.5536337824381081
Energy: 1.6990431023899508
Energy: 1.6659129419576402
Energy: 1.569353771634821
Energy: 1.5828388115377716
Energy: 1.7153830660687894
Energy: 1.6603262318902297
Energy: 1.661880000066494
Energy: 1.5558277987437443
Energy: 1.5836438401880168
Energy: 1.7672655685643825
Energy: 1.5512065347086732
Energy: 1.5500833478729625
Energy: 1.763428761486411
Energy: 1.8322087471525048
Energy: 1.5500977397805153
Energy: 1.5415581757568226
Energy: 1.560129398326582
Energy: 1.8056408521127392
Energy: 1.8821524097650293
Energy: 1.5501583764699118
Energy: 1.5520033418754664
Energy: 1.5508612342609425
Energy: 1.5523179354247703
Energy: 1.6519182142488151
Energy: 1.6149382326677852
Energy: 1.5653136948551867
Energy: 1.5624628882260818
Energy: 1.5626925740056954
Energy: 1.6527455009780823
Energy: 1.5633906183276383
Energy: 1.5629243138154483
Energy: 1.5438180014988865
Energy: 1.7125428111695777
Energy: 1.7131282265202308
Energy: 1.72700746892227
Energy: 1.569106912923643
Energy: 1.8366548373291125
Energy: 1.7124215679779673
Energy: 1.6655296366791676
Energy: 1.6708452577064448
Energy: 1.5870727591437013
Energy: 1.735928105070122
Energy: 1.6660214818298176
Energy: 1.6450086947878098
Energy: 1.5267782605808287
Energy: 1.5497944612955148
Energy: 1.7405737655223743
Energy: 1.9483494877967287
Energy: 1.6052211498161595
Energy: 1.561640166370417

minimum gb energy = 1.5267782605808287 eV
minimum distance =  2.24777181809154 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.0020859704652025
Energy: 1.6332625409229282
Energy: 1.9520302702820733
Energy: 1.8351003233994243
Energy: 1.4901545611166696
Energy: 2.0014140805316245
Energy: 1.6354139149125546
Energy: 1.82333114477051
Energy: 1.8870674175160174
Energy: 1.7031508837347995
Energy: 1.5005926121615172
Energy: 1.8555383620773982
Energy: 1.7126479408983
Energy: 1.7118114076563866
Energy: 1.666385176305606
Energy: 1.6721749115205178
Energy: 1.88982425768228
Energy: 1.7117901289673685
Energy: 1.9098657823424041
Energy: 1.5922162928293664
Energy: 1.646264818536743
Energy: 1.7025885728724341
Energy: 1.7037361015672
Energy: 1.588877885495888
Energy: 1.6010414527198762
Energy: 1.6548293582769003
Energy: 1.7019819850996571
Energy: 1.7025755049572266
Energy: 1.5881252127581524
Energy: 1.6014134311899304
Energy: 1.5857452241933945
Energy: 1.589877957511236
Energy: 1.6991187079302512
Energy: 1.6040770900920476
Energy: 1.6019696431361494
Energy: 1.5875375367772875
Energy: 1.5810978511851712
Energy: 1.6994349501437254
Energy: 1.6075444354026378
Energy: 1.6012819167219716
Energy: 1.6066659080164047
Energy: 1.9095414876136918
Energy: 1.8383921545346218
Energy: 1.5853626827645169
Energy: 1.690277756447661
Energy: 1.573624680923747
Energy: 1.909041739155158
Energy: 1.4966174450308511
Energy: 1.5850004313523032
Energy: 1.4958055891323996
Energy: 1.636033718914092
Energy: 1.5822835169239262
Energy: 1.4984317636983187
Energy: 1.5730582868969551
Energy: 2.0052260784474294
Energy: 1.7172868781774842
Energy: 1.5800920435945796
Energy: 1.4976056761029541
Energy: 1.5772901899959495
Energy: 2.0058187909376084
Energy: 1.6797585401829476
Energy: 1.646945318769972
Energy: 1.6063542802318147
Energy: 1.6070404437556105
Energy: 1.7319903072489116
Energy: 1.680461107941148
Energy: 1.641789348785898
Energy: 1.6031729519535742
Energy: 1.606819712913101
Energy: 1.7328322750851453
Energy: 1.7002314667917884
Energy: 1.6061379628325643
Energy: 1.5797372664211298
Energy: 1.8616225861054883
Energy: 1.9367631877172913
Energy: 1.7022994713093043
Energy: 1.6063202004150086
Energy: 1.5805349654878562
Energy: 1.8643825795578817
Energy: 1.8905978982240992
Energy: 1.5865156296161549
Energy: 1.8581589243532768
Energy: 1.5065389245799687
Energy: 1.8659593470182227
Energy: 1.5880880409562317
Energy: 1.7440340793140616
Energy: 1.8578476978885896
Energy: 1.507672343835304
Energy: 1.7592306386948333
Energy: 1.5857864302072069
Energy: 1.5068312792628835
Energy: 1.8571426512711555
Energy: 1.5062499186994003
Energy: 1.4886741028133081
Energy: 1.5043733133347723
Energy: 1.6014296671148616
Energy: 1.8566431415300435
Energy: 1.507029569668557
Energy: 1.4889217021079864
Energy: 1.5086900648135084
Energy: 1.5020927763346235
Energy: 1.4992587025667867
Energy: 1.507308940127912
Energy: 2.0155153363283027
Energy: 1.4995013618087212
Energy: 1.500685045764839
Energy: 1.4979220207630664
Energy: 1.6667718926448183
Energy: 2.0127499645059856
Energy: 1.5826727276949728
Energy: 1.506317667305963
Energy: 1.5106043240629303
Energy: 1.5001173712260556
Energy: 1.8165306917883284
Energy: 1.5058833626275712
Energy: 1.5029724739796584
Energy: 1.5008320758836606
Energy: 1.5072820924671524
Energy: 1.6414525616264672
Energy: 1.5029930587138653
Energy: 1.5015462702070066
Energy: 1.506230091482584
Energy: 1.857747731499792
Energy: 1.8580932300037332
Energy: 1.5070892420862994
Energy: 1.5029515692713045
Energy: 1.5801813000881164
Energy: 1.8609076789819359
Energy: 1.9411057335327302
Energy: 1.5074980979826775
Energy: 1.7144791121214606
Energy: 1.5018001106172811
Energy: 1.7977365925123745
Energy: 1.501183860049048
Energy: 1.4949433952126678
Energy: 1.7144201308594564
Energy: 1.503201079960995
Energy: 1.791492160842772
Energy: 1.5020511106795578
Energy: 1.4883419270803135

minimum gb energy = 1.4883419270803135 eV
minimum distance =  2.21983328339115 Angstroms
sigma value = 33