Model name: model_name=MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391771733761
cohesive_energy=4.450350014532301
mass=58.6934
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=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083898807843395e-19, 4.2789331364237998e-19, 4.6747188303208195e-19, 5.014941038550719e-19, 5.311327694074379e-19, 5.57166537533304e-19, 5.80149761348034e-19, 6.004909958932979e-19, 6.18501063436092e-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: 0.018089586424359885
Energy: 0.16010887411672337
Energy: 1.12543210481746
Energy: 0.018369168207592206
Energy: 0.16010887411672337
Energy: 2.2537760819252233
Energy: 0.01836916820821649
Energy: 2.2537760819219916
Energy: 1.12543210481746
Energy: 0.018369168207592206
Energy: 0.018089586424359885
Energy: 0.16010887411672337
Energy: 0.018369168207592206
Energy: 2.2537760819284545
Energy: 0.16010887411672337
Energy: 2.2537760819232764

minimum gb energy = 0.018089586424359885 eV
minimum distance =  2.44905085516455 Angstroms
sigma value = 1


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

Energy: 2.0653517320944363
Energy: 1.4312969950359589
Energy: 1.43235772723332
Energy: 1.3178055493579919
Energy: 1.337782653390445
Energy: 1.4451270017454898
Energy: 1.3372881518302133
Energy: 1.4451270017446882
Energy: 1.431792422536931
Energy: 1.4311354980491502
Energy: 2.240109409501112
Energy: 1.4311354980499518
Energy: 1.3433332460642025
Energy: 1.33747400156668
Energy: 1.337777595707807
Energy: 1.3374740015658784
Energy: 1.919871776562999
Energy: 1.3391910337150936
Energy: 1.3366665062857175
Energy: 1.3391910337150936
Energy: 1.4244457635170384
Energy: 1.4824103863078826
Energy: 1.351411265289576
Energy: 1.482410386307081
Energy: 1.4510358429499504
Energy: 1.4519571989964353
Energy: 1.9208798531562734
Energy: 1.4519571989972369
Energy: 1.3947202071837548
Energy: 1.3957648227789552
Energy: 1.4558844030672993
Energy: 1.3957648227789552
Energy: 1.6546832462619365
Energy: 1.5260161423150251
Energy: 1.4931456546557198
Energy: 1.5260161423158267
Energy: 1.4499399460091162
Energy: 1.501037160271153
Energy: 1.408585695494466
Energy: 1.5010371602703514
Energy: 1.4043163799311285
Energy: 1.52639021259626
Energy: 1.6547611794233879
Energy: 1.5263902125970616
Energy: 1.3954243998300508
Energy: 1.5278503455279082
Energy: 1.459940691738272
Energy: 1.5278503455287096
Energy: 1.4487106541850046
Energy: 1.451686841226723
Energy: 1.3777617015486432
Energy: 1.451686841226723
Energy: 1.4264023250701205
Energy: 1.4512671586482817
Energy: 1.4140454714135828
Energy: 1.4512671586482817
Energy: 1.3770454643211592
Energy: 1.3390190732311162
Energy: 1.3379614422787474
Energy: 1.3390190732319178
Energy: 1.3874786309622822
Energy: 1.3378861224795031
Energy: 1.338662749374353
Energy: 1.3378861224795031
Energy: 1.4336178290470307
Energy: 1.431082841855335
Energy: 1.3108867276374376
Energy: 1.4310828418545332
Energy: 1.3381656413118415
Energy: 1.3429352501267788
Energy: 1.3608460492836543
Energy: 1.342935250125977
Energy: 1.349118438858175
Energy: 1.4314458122554157
Energy: 1.434962891939438
Energy: 1.4314458122562173
Energy: 1.4213337904171974
Energy: 1.4456701105785406
Energy: 1.343832237734879
Energy: 1.4456701105777388
Energy: 1.3373414467582554
Energy: 1.3445284918699003
Energy: 1.9195420280652187
Energy: 1.3445284918699003
Energy: 1.3515151405030046
Energy: 1.3498661166505073
Energy: 1.4255122489893253
Energy: 1.3498661166505073
Energy: 1.9214034992010751
Energy: 1.4517572452057137
Energy: 1.3934394207853142
Energy: 1.4517572452057137
Energy: 1.4564757804076953
Energy: 1.462126385149896
Energy: 1.3971481221871125
Energy: 1.462126385149896
Energy: 1.4077212586698131
Energy: 1.5274579890020752
Energy: 1.6539329212001312
Energy: 1.5274579890020752
Energy: 1.411344290753826
Energy: 1.5267269552435812
Energy: 1.4522345522562783
Energy: 1.5267269552427793
Energy: 1.6557790319972947
Energy: 1.5275315558037672
Energy: 1.4049827848698564
Energy: 1.5275315558021638
Energy: 1.4570708198601414
Energy: 1.5235737395958462
Energy: 1.3959851355447146
Energy: 1.5235737395950444
Energy: 1.378232009599421
Energy: 1.4516435780867287
Energy: 1.4488033326118406
Energy: 1.4516435780867287
Energy: 1.4140846847159216
Energy: 1.4514897581041413
Energy: 1.423459221004206
Energy: 1.4514897581041413
Energy: 1.3368942086288735
Energy: 1.3395353869883833
Energy: 1.3776750021650985
Energy: 1.3395353869875815
Energy: 1.3384015505189706
Energy: 1.3376968427976712
Energy: 1.3874223739255607
Energy: 1.3376968427968696
Energy: 1.3108411868452283
Energy: 1.3428093643293584
Energy: 1.432155036469996
Energy: 1.3428093643277554

minimum gb energy = 1.3108411868452283 eV
minimum distance =  2.23474493772607 Angstroms
sigma value = 1


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

Energy: 2.328924206288566
Energy: 1.5053858008735603
Energy: 1.5043260020322886
Energy: 1.374131871836393
Energy: 1.4010537663624767
Energy: 1.5120126754988967
Energy: 1.4020407460684003
Energy: 1.5120126754998107
Energy: 1.5053731703609519
Energy: 1.5057390277691767
Energy: 2.1407206068333933
Energy: 1.5057390277691767
Energy: 1.4081191880351807
Energy: 1.4015802167538274
Energy: 1.4012648183834684
Energy: 1.4015802167556557
Energy: 2.141451746799224
Energy: 1.4026052262189876
Energy: 1.401792852348759
Energy: 1.4026052262180735
Energy: 1.5028453892075222
Energy: 1.5611163154309071
Energy: 1.4159626367871536
Energy: 1.5611163154299934
Energy: 1.4742780187257967
Energy: 1.5364513420829042
Energy: 1.8013386130148772
Energy: 1.536451342080162
Energy: 1.4650265646076746
Energy: 1.4651295621187754
Energy: 1.536696616215298
Energy: 1.4651295621178613
Energy: 1.803445426519492
Energy: 1.6086068283921071
Energy: 1.6549076782011516
Energy: 1.608606828390279
Energy: 1.5387682921570969
Energy: 1.5791694643717165
Energy: 1.4657625211358167
Energy: 1.5791694643735448
Energy: 1.4486502869018962
Energy: 1.5363354185437639
Energy: 1.5440215774855286
Energy: 1.5363354185437639
Energy: 1.490780426847543
Energy: 1.5362283955238536
Energy: 1.5038346634588502
Energy: 1.5362283955275096
Energy: 1.4031940510461323
Energy: 1.4025299214172093
Energy: 1.9510687602332513
Energy: 1.4025299214190374
Energy: 1.401661258096273
Energy: 1.4016910756141647
Energy: 1.456066172854134
Energy: 1.4016910756141647
Energy: 1.3669044289877441
Energy: 1.505353377146539
Energy: 1.5043319846366605
Energy: 1.505353377144711
Energy: 1.4326660363947605
Energy: 1.4091143907394195
Energy: 1.4017338327283737
Energy: 1.4091143907366774
Energy: 1.5048397445827593
Energy: 1.5051895155703712
Energy: 1.4139115916376908
Energy: 1.5051895155667148
Energy: 1.4088119262506538
Energy: 1.5142462362281914
Energy: 1.5022515773231666
Energy: 1.5142462362300193
Energy: 1.4142304044447245
Energy: 1.4094298988589047
Energy: 1.4031021031707538
Energy: 1.4094298988607328
Energy: 1.5040847407934692
Energy: 1.4024038162703498
Energy: 1.4171928933533022
Energy: 1.4024038162694774
Energy: 1.4701420346315333
Energy: 1.536904694974045
Energy: 1.8012849312286425
Energy: 1.536904694973131
Energy: 1.4644196613657725
Energy: 1.5368474315149205
Energy: 1.5375208883228308
Energy: 1.5368474315149205
Energy: 1.802715703417576
Energy: 1.6084319770034008
Energy: 1.4726143552258182
Energy: 1.6084319770034008
Energy: 1.537985026808597
Energy: 1.608195338199872
Energy: 1.4661885105083434
Energy: 1.6081953382017
Energy: 1.449308827404338
Energy: 1.5365122096069936
Energy: 1.5428287169997348
Energy: 1.5365122096097357
Energy: 1.4912075465203558
Energy: 1.5399373146595177
Energy: 1.503030469498563
Energy: 1.5399373146586035
Energy: 1.4016007637858616
Energy: 1.4024349061242696
Energy: 1.447943606444255
Energy: 1.4024349061242696
Energy: 1.4027197213230083
Energy: 1.402636706464492
Energy: 1.4555643087628531
Energy: 1.4026367064635779
Energy: 1.3667555248109637
Energy: 1.408987815135474
Energy: 1.5040312025266551
Energy: 1.4089878151327317

minimum gb energy = 1.3667555248109637 eV
minimum distance =  2.2327968075136 Angstroms
sigma value = 25


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

Energy: 2.35712974790698
Energy: 1.6002165326995785
Energy: 1.6023170286977757
Energy: 1.5135602304941604
Energy: 1.488562304862735
Energy: 1.5992929111816967
Energy: 1.5036080423678226
Energy: 1.599292911180634
Energy: 1.6032719869117353
Energy: 1.6019357031684958
Energy: 2.1071880206628575
Energy: 1.6019357031674815
Energy: 1.5141023635418294
Energy: 1.6437872020983795
Energy: 1.5037410062748886
Energy: 1.643787202099442
Energy: 2.107992578635427
Energy: 1.490977381233177
Energy: 1.4902319280271825
Energy: 1.490977381233177
Energy: 1.617942073556203
Energy: 1.6597907358091297
Energy: 1.4997788811461397
Energy: 1.6597907358101924
Energy: 1.566055796552469
Energy: 1.6557126945706386
Energy: 1.7328748591349667
Energy: 1.6557126945706386
Energy: 1.5454048595765029
Energy: 1.664170909126074
Energy: 1.6596181098260743
Energy: 1.6641709091271364
Energy: 1.7071612499742752
Energy: 1.6756347924717423
Energy: 1.5162702220559467
Energy: 1.6756347924717423
Energy: 1.614287238925237
Energy: 1.6780410121347993
Energy: 1.5746011892350422
Energy: 1.6780410121369245
Energy: 1.4544347278870087
Energy: 1.5779850811356928
Energy: 1.576966542881486
Energy: 1.5779850811346303
Energy: 1.454880088524423
Energy: 1.758352272962409
Energy: 1.5195602581497043
Energy: 1.758352272962409
Energy: 1.4428502317725538
Energy: 1.442944508341931
Energy: 1.4220353447508312
Energy: 1.4429445083429935
Energy: 1.4432127815454692
Energy: 1.422981440068748
Energy: 1.5184062345891118
Energy: 1.4229814400676857
Energy: 2.1077581500220868
Energy: 1.6874680751053286
Energy: 1.6953396560954057
Energy: 1.6874680751053286
Energy: 1.5673792431010445
Energy: 1.6827266724043082
Energy: 1.5867351285814695
Energy: 1.6827266724032457
Energy: 1.4930833399051822
Energy: 1.5346637326983283
Energy: 2.108812415511121
Energy: 1.5346637326993908
Energy: 1.4919673611129314
Energy: 1.5348753188683457
Energy: 1.6245578145176374
Energy: 1.5348753188683457
Energy: 1.732730213684583
Energy: 1.651994191726612
Energy: 1.5778505475408569
Energy: 1.6519941917276744
Energy: 1.6523036167595357
Energy: 1.6486658298643144
Energy: 1.5484407638653994
Energy: 1.6486658298632522
Energy: 1.5160515860237163
Energy: 1.6558737049796164
Energy: 1.6805949253327546
Energy: 1.6558737049796164
Energy: 1.5433064653016342
Energy: 1.675163580838616
Energy: 1.6001561704758
Energy: 1.6751635808375536
Energy: 1.4885715488197586
Energy: 1.4901863709717247
Energy: 1.468735468709039
Energy: 1.4901863709717247
Energy: 1.489257310004274
Energy: 1.4899875320789178
Energy: 1.5474761977143672
Energy: 1.4899875320778553
Energy: 1.4536632080104936
Energy: 1.5526266202898777
Energy: 1.6019653538423773
Energy: 1.5526266202888153

minimum gb energy = 1.4220353447508312 eV
minimum distance =  2.213119881701 Angstroms
sigma value = 9


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

Energy: 2.022734090042816
Energy: 1.6671039145265747
Energy: 1.6681683421155669
Energy: 1.4867059333311592
Energy: 1.5483330759113416
Energy: 1.6436952024007554
Energy: 1.5473733529310751
Energy: 1.6436952024020233
Energy: 1.667673384546209
Energy: 1.6678092203565273
Energy: 2.3690828346218016
Energy: 1.66780922035526
Energy: 1.5320204902543697
Energy: 1.5463110313002522
Energy: 1.5468008844078551
Energy: 1.5463110313002522
Energy: 1.8199961836589882
Energy: 1.5471603748726015
Energy: 1.545949078223061
Energy: 1.5471603748713343
Energy: 1.7615380996737626
Energy: 1.7993447842119294
Energy: 1.5485029383651963
Energy: 1.7993447842106618
Energy: 1.6185359631204308
Energy: 1.750134351830104
Energy: 1.8245956354962036
Energy: 1.750134351830104
Energy: 1.5490010843808368
Energy: 1.7617678805572738
Energy: 1.7613696868337512
Energy: 1.7617678805585413
Energy: 1.5457446400492039
Energy: 1.5476220892590025
Energy: 1.4707333822139177
Energy: 1.5476220892590025
Energy: 1.5463709267939523
Energy: 1.546177392707931
Energy: 1.6044578473038267
Energy: 1.5461773927066638
Energy: 2.0267835424126424
Energy: 1.6665695868432524
Energy: 1.6668571280991868
Energy: 1.66656958684452
Energy: 1.584590965840325
Energy: 1.564024045644918
Energy: 1.5471467957687621
Energy: 1.564024045644918
Energy: 1.6686575997275348
Energy: 1.66770002372737
Energy: 1.5272074963713185
Energy: 1.6677000237286375
Energy: 1.5650657990787578
Energy: 1.6436333467338922
Energy: 1.664175371841699
Energy: 1.6436333467338922
Energy: 1.8206758999674295
Energy: 1.5640664471579966
Energy: 1.550740482908427
Energy: 1.564066447156729
Energy: 1.7608299387953346
Energy: 1.5467463674060786
Energy: 1.5466656776539234
Energy: 1.5467463674060786
Energy: 1.6639507438377497
Energy: 1.7502747873481235
Energy: 1.8242081580792202
Energy: 1.7502747873481235
Energy: 1.58517982916125
Energy: 1.7496228405712106
Energy: 1.7595896167161864
Energy: 1.7496228405712106
Energy: 1.5443655359718487
Energy: 1.5489866573695217
Energy: 1.470038664768476
Energy: 1.5489866573695217
Energy: 1.5468819267397191
Energy: 1.5472730155146248
Energy: 1.470112178358227
Energy: 1.5472730155146248
Energy: 1.4680548119561463
Energy: 1.5639272716050752
Energy: 1.6673483159889215
Energy: 1.5639272716038075

minimum gb energy = 1.4680548119561463 eV
minimum distance =  2.22945801122405 Angstroms
sigma value = 25


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

Energy: 1.7545629342465014
Energy: 1.74394696901964
Energy: 1.744453689698349
Energy: 1.5155766714410723
Energy: 1.5453699435525938
Energy: 1.626678772652355
Energy: 1.545382388560335
Energy: 1.626678772652355
Energy: 1.743774957399328
Energy: 1.7448323258831422
Energy: 2.146503720529017
Energy: 1.7448323258831422
Energy: 1.7013741345052615
Energy: 1.6281070978830632
Energy: 1.54606832139498
Energy: 1.6281070978830632
Energy: 1.6246208921848664
Energy: 1.6325470264695214
Energy: 1.5464753595309555
Energy: 1.6325470264695214
Energy: 1.9066591040803365
Energy: 1.6316618223443935
Energy: 1.5448409940041705
Energy: 1.6316618223443935
Energy: 1.7609772726280954
Energy: 1.6330555584267477
Energy: 1.6289599886913975
Energy: 1.6330555584267477
Energy: 1.494458829335149
Energy: 1.7295676477534636
Energy: 1.6527876349154085
Energy: 1.7295676477534636
Energy: 1.7427651230950343
Energy: 1.7428798673803096
Energy: 1.8949023904293014
Energy: 1.7428798673803096
Energy: 1.54553158166035
Energy: 1.502508417966184
Energy: 1.894586523762889
Energy: 1.502508417966184
Energy: 2.1461273462934662
Energy: 1.7446635180221417
Energy: 1.7471936577483
Energy: 1.7446635180221417
Energy: 1.693621799306449
Energy: 1.6269664298617357
Energy: 1.6998203975383075
Energy: 1.6269664298617357
Energy: 1.5479314030401983
Energy: 1.5016554835868385
Energy: 1.6247687513558755
Energy: 1.5016554835899736
Energy: 1.5473723582523145
Energy: 1.6335059684294848
Energy: 1.9081469560883864
Energy: 1.6335059684310527
Energy: 1.6271639881701503
Energy: 1.6310965138921794
Energy: 1.4939761047401678
Energy: 1.631096513890647
Energy: 1.5449169777389733
Energy: 1.6529774960444799
Energy: 1.4943754299530543
Energy: 1.652977496046047
Energy: 1.4939456683451988
Energy: 1.5028368952864415
Energy: 1.744088194258689
Energy: 1.5028368952880091

minimum gb energy = 1.4939456683451988 eV
minimum distance =  2.3099492358958 Angstroms
sigma value = 17


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

Energy: 2.426786449190821
Energy: 1.9348790769295514
Energy: 1.9344189608288704
Energy: 1.797155057266032
Energy: 1.7311152016666327
Energy: 1.6293781534026122
Energy: 1.9158373734954337
Energy: 1.6293781534008365
Energy: 1.6609424108976378
Energy: 1.6612429211906083
Energy: 2.206249308067908
Energy: 1.6612429211897208
Energy: 1.625049267747352
Energy: 1.6272600613654153
Energy: 1.916592833528403
Energy: 1.6272600613654153
Energy: 1.8263951204743047
Energy: 1.7623913421129909
Energy: 1.6672951263679017
Energy: 1.7623913421138788
Energy: 1.9140505872567444
Energy: 1.7647882112976792
Energy: 1.7164914469908445
Energy: 1.7647882112968316
Energy: 1.988221332791251
Energy: 1.660484207194954
Energy: 1.658315085112069
Energy: 1.660484207194954
Energy: 2.041891821682637
Energy: 1.6255410624639763
Energy: 1.6763751795462987
Energy: 1.6255410624648639
Energy: 1.936035475384692
Energy: 1.9353432377872168
Energy: 2.2096896403171224
Energy: 1.9353432377863293
Energy: 1.8836250709811662
Energy: 1.7301040877453575
Energy: 1.9136660495797846
Energy: 1.7301040877453575
Energy: 1.8262409308463972
Energy: 1.599765953009394
Energy: 1.617045626862136
Energy: 1.5997659530102817
Energy: 1.8836060524505418
Energy: 1.6001582481487548
Energy: 1.5980381651093667
Energy: 1.6001582481496426
Energy: 1.7209123220071254
Energy: 1.5995572360364334
Energy: 1.5977972613120357
Energy: 1.5995572360346577
Energy: 1.7212199197570455
Energy: 1.6269305472275084
Energy: 1.6149090808049842
Energy: 1.6269305472248448
Energy: 1.9358717512935257
Energy: 1.8837236310259298
Energy: 2.0372345682513777
Energy: 1.883723631025042
Energy: 1.9366110198953985
Energy: 1.9180776386814267
Energy: 2.037042664819801
Energy: 1.9180776386814267
Energy: 1.880131479948828
Energy: 1.624739532306128
Energy: 1.6625311830427125
Energy: 1.6247395323052403
Energy: 1.8794360139082342
Energy: 1.6247394983137484
Energy: 1.6591347990049397
Energy: 1.6247394983137484
Energy: 1.7138956954676832
Energy: 1.8165010860051647
Energy: 1.7328245105693325
Energy: 1.8165010860051647
Energy: 1.6646109942308247
Energy: 1.7657455794305215
Energy: 1.7165714695717007
Energy: 1.7657455794305215
Energy: 1.6244614681403626
Energy: 1.6248710548999448
Energy: 1.8903853346101354
Energy: 1.6248710548990573
Energy: 1.6606596394926822
Energy: 1.67314152636858
Energy: 1.9818731402133052
Energy: 1.6731415263676923
Energy: 1.912876064640632
Energy: 1.7292146395640633
Energy: 1.7889540402218438
Energy: 1.729214639564951
Energy: 2.2073447394620747
Energy: 1.9350382883348132
Energy: 1.9359207910381298
Energy: 1.9350382883357007
Energy: 1.5631371808780148
Energy: 1.5986725143230953
Energy: 1.8841642474378673
Energy: 1.5986725143230953
Energy: 1.597959876932904
Energy: 1.6000548939689012
Energy: 1.827609267109183
Energy: 1.6000548939680133
Energy: 1.616281704486073
Energy: 1.702510469029406
Energy: 2.04761435885816
Energy: 1.7025104690311816
Energy: 1.5982195215662758
Energy: 1.599670523322698
Energy: 1.9881421869422315
Energy: 1.5996705233218103
Energy: 1.740943638787314
Energy: 1.6287284321571882
Energy: 1.7205267888698677
Energy: 1.6287284321563003
Energy: 2.4283904639151768
Energy: 1.935572086993177
Energy: 1.9341064023177317
Energy: 1.935572086993177

minimum gb energy = 1.5631371808780148 eV
minimum distance =  2.235743788613 Angstroms
sigma value = 53


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

Energy: 2.1601090048690166
Energy: 1.7753891121701721
Energy: 1.7766215101574097
Energy: 1.4607622768084572
Energy: 1.7662252274990076
Energy: 1.5451980830598917
Energy: 1.7660717249212454
Energy: 1.5451980830598917
Energy: 1.775697648259662
Energy: 1.778074101879917
Energy: 1.790473820376936
Energy: 1.7780741018778734
Energy: 1.766032338896739
Energy: 1.5467266169909146
Energy: 1.798302875050962
Energy: 1.5467266169909146
Energy: 1.8008548017079258
Energy: 1.545180390847369
Energy: 1.4291298613441645
Energy: 1.545180390847369
Energy: 1.7629459787680528
Energy: 1.5471714615232293
Energy: 1.4295361580890147
Energy: 1.5471714615232293
Energy: 2.143735656001044
Energy: 1.7751174818338167
Energy: 1.7740756059316651
Energy: 1.7751174818338167
Energy: 2.117395568039333
Energy: 1.5470748694991634
Energy: 1.7766588707985869
Energy: 1.5470748694991634
Energy: 1.7772628619185664
Energy: 1.777111895253356
Energy: 1.7930840254163216
Energy: 1.7771118952554
Energy: 1.764763204596701
Energy: 1.5469140297835642
Energy: 1.7664025846690736
Energy: 1.5469140297835642
Energy: 1.7986233345284923
Energy: 1.5476171664072806
Energy: 1.429811912937577
Energy: 1.5476171664072806
Energy: 1.7679689046847384
Energy: 1.5452821595436557
Energy: 1.4289489819634584
Energy: 1.5452821595456996
Energy: 2.1387301042663807
Energy: 1.5472491478327433
Energy: 1.7766884917740602
Energy: 1.5472491478347872

minimum gb energy = 1.4289489819634584 eV
minimum distance =  2.29573484896664 Angstroms
sigma value = 9


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

Energy: 2.08380265401234
Energy: 2.055385418519355
Energy: 2.0572452721770724
Energy: 1.9371107397914717
Energy: 1.61587270664448
Energy: 1.5986854835747797
Energy: 2.112408032311145
Energy: 1.5986854835747797
Energy: 1.5971018984407033
Energy: 1.5984793894196914
Energy: 1.9439168346465077
Energy: 1.5984793894196914
Energy: 1.5978751699537046
Energy: 1.5973361653237008
Energy: 2.152497745083074
Energy: 1.5973361653237008
Energy: 1.6003050342258216
Energy: 1.5953253938654273
Energy: 2.12126284241731
Energy: 1.5953253938661838
Energy: 1.7489140339341185
Energy: 1.5969753541165574
Energy: 2.119377066905737
Energy: 1.5969753541165574
Energy: 2.13515008303315
Energy: 2.0417386080508866
Energy: 2.0561326242532014
Energy: 2.0417386080508866
Energy: 2.1085790929458934
Energy: 1.79819200004559
Energy: 2.0542964347707513
Energy: 1.7981920000448337
Energy: 1.718779384368027
Energy: 1.768020610620834
Energy: 1.6768060535768938
Energy: 1.768020610620834
Energy: 1.5511826118940342
Energy: 1.680346934368955
Energy: 2.005137565095074
Energy: 1.6803469343681985
Energy: 1.759883767594093
Energy: 1.7544785882752827
Energy: 2.019191109245151
Energy: 1.7544785882752827
Energy: 1.7878512974296785
Energy: 1.8898161236696822
Energy: 2.0903948258559284
Energy: 1.8898161236681692
Energy: 2.107868825381464
Energy: 1.7555995046024937
Energy: 1.7449238984249067
Energy: 1.755599504600981
Energy: 2.1060058982218526
Energy: 1.7609644760057446
Energy: 1.793249657423492
Energy: 1.760964476004988
Energy: 2.0091227184388085
Energy: 1.6798237460736853
Energy: 1.6798357956058168
Energy: 1.6798237460736853
Energy: 1.8022201487901026
Energy: 1.7628725702913035
Energy: 1.6791522200670081
Energy: 1.76287257029206
Energy: 2.009983233287078
Energy: 1.7912642593531323
Energy: 1.7983383410408271
Energy: 1.7912642593516195
Energy: 2.056569687114339
Energy: 2.0545669244513887
Energy: 2.084806953214036
Energy: 2.0545669244506324
Energy: 2.1112209981293995
Energy: 1.5979541405954245
Energy: 1.711671730173494
Energy: 1.5979541405954245
Energy: 1.9420700232591528
Energy: 1.5978661535941496
Energy: 1.5974549763912416
Energy: 1.5978661535933931
Energy: 2.1077755403346408
Energy: 1.5976976980235928
Energy: 1.5990312008685221
Energy: 1.5976976980228363
Energy: 2.130756363171647
Energy: 1.5958024670942936
Energy: 1.5971855262890442
Energy: 1.5958024670942936
Energy: 2.12048373715101
Energy: 1.5967665814586849
Energy: 1.595707163669201
Energy: 1.5967665814579286
Energy: 2.0558925211874413
Energy: 2.033345150137745
Energy: 2.104901048373844
Energy: 2.033345150136232
Energy: 2.0435342190451338
Energy: 1.7875809273507528
Energy: 2.100319011712136
Energy: 1.7875809273515093
Energy: 1.6804805936847522
Energy: 1.7621828979039151
Energy: 1.7187052256950204
Energy: 1.762182897895663
Energy: 1.9971250196082426
Energy: 1.6802766098287643
Energy: 1.5502375182491581
Energy: 1.6802766098272515
Energy: 2.0214768333484994
Energy: 1.7543859420107188
Energy: 1.7606086522334186
Energy: 1.7543859420114751
Energy: 2.0871082574301667
Energy: 1.8099024676344524
Energy: 1.787346278106492
Energy: 1.8099024676344524
Energy: 1.7446781596278398
Energy: 1.7547468313462873
Energy: 2.1104125719778506
Energy: 1.7547468313462873
Energy: 1.7875301908066896
Energy: 1.7631258616018295
Energy: 1.94701500127467
Energy: 1.763125861601073
Energy: 1.7545145919210334
Energy: 1.741276958129924
Energy: 2.0224910172536354
Energy: 1.741276958129924
Energy: 1.6824140358014055
Energy: 1.762038755093325
Energy: 1.8067479503534078
Energy: 1.762038755093325
Energy: 1.7665806289865946
Energy: 1.7886196989500276
Energy: 1.841841378310217
Energy: 1.7886196989500276
Energy: 2.0868330501984347
Energy: 2.0512212828246525
Energy: 2.0549070360650274
Energy: 2.0512212828261656

minimum gb energy = 1.5502375182491581 eV
minimum distance =  2.23035424889975 Angstroms
sigma value = 73


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

Energy: 1.9686505099609175
Energy: 1.8674321026094312
Energy: 1.9425294583987094
Energy: 1.56454587641585
Energy: 1.6251566823040637
Energy: 1.6263547889725496
Energy: 1.8344406131930007
Energy: 1.6263547889725496
Energy: 1.624959126881558
Energy: 1.626320241959443
Energy: 1.7597739981715885
Energy: 1.626320241959443
Energy: 1.6299468384221616
Energy: 1.627850835562708
Energy: 2.1068987989855468
Energy: 1.627850835562708
Energy: 1.6251104894054005
Energy: 1.6240910616546045
Energy: 2.0228384128881998
Energy: 1.6240910616534043
Energy: 1.6247346182549178
Energy: 1.625081288721778
Energy: 2.0207869568107886
Energy: 1.625081288721778
Energy: 1.8060022872668626
Energy: 1.9371083446257276
Energy: 1.8670976031221578
Energy: 1.9371083446257276
Energy: 1.809510759037613
Energy: 1.8722807805765607
Energy: 1.8804008731599253
Energy: 1.8722807805765607
Energy: 1.8011893110873363
Energy: 1.772938143163897
Energy: 1.7695318048451254
Energy: 1.7729381487578828
Energy: 1.5497908395560445
Energy: 1.774080775106997
Energy: 1.8284036828306507
Energy: 1.7740807751045964
Energy: 1.9210579684978704
Energy: 1.8730834636435874
Energy: 1.8155783459726167
Energy: 1.8730834636423872
Energy: 1.8690536271975533
Energy: 1.937462314155345
Energy: 1.9756742501276023
Energy: 1.9374623141565452
Energy: 1.7624140365027814
Energy: 1.6246431307979718
Energy: 1.6261465258091736
Energy: 1.6246431307979718
Energy: 1.7615805465813839
Energy: 1.6245465001058819
Energy: 1.624281134308761
Energy: 1.6245465001058819
Energy: 2.1337600758897994
Energy: 1.626281213723478
Energy: 1.6268961399968702
Energy: 1.626281213723478
Energy: 1.980398897970341
Energy: 1.6254785256358788
Energy: 1.6246828732992344
Energy: 1.6254785256358788
Energy: 2.0255233905704433
Energy: 1.9427183160727457
Energy: 1.6246134301996649
Energy: 1.9427183160727457
Energy: 1.9423835958203877
Energy: 1.8667992757119776
Energy: 2.4101946770135187
Energy: 1.8667992757107772
Energy: 1.8697605299725981
Energy: 1.872890189805901
Energy: 1.8070785313339999
Energy: 1.872890189805901
Energy: 1.7672773958124333
Energy: 1.6861441152364738
Energy: 1.7736980315770974
Energy: 1.6861441152364738
Energy: 1.8849067723655832
Energy: 1.7733485380615557
Energy: 1.5519460289663651
Energy: 1.7733485407151544
Energy: 2.0167924253643617
Energy: 1.871567956996912
Energy: 1.8770246743040853
Energy: 1.871567956996912

minimum gb energy = 1.5497908395560445 eV
minimum distance =  2.20074145268087 Angstroms
sigma value = 7


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

Energy: 2.4945053237731667
Energy: 1.8855255911956148
Energy: 1.8851239265725226
Energy: 1.5848428141545268
Energy: 1.7208562791928614
Energy: 1.7312642781055605
Energy: 1.9969267542828684
Energy: 1.7312642781055605
Energy: 1.6028357455155997
Energy: 1.6019579468719278
Energy: 1.7268170925301758
Energy: 1.6019579468727765
Energy: 1.598551167831297
Energy: 1.6035962092921061
Energy: 2.0336992441730737
Energy: 1.603596209294652
Energy: 1.6322785924678072
Energy: 1.6309110935594924
Energy: 1.8738767454602252
Energy: 1.630911093557795
Energy: 1.6063249113911795
Energy: 1.6345951106874914
Energy: 1.874418145043732
Energy: 1.6345951106857939
Energy: 1.9918300498528116
Energy: 1.62992809805086
Energy: 1.6027048453544794
Energy: 1.6299280980534059
Energy: 1.9859190917136091
Energy: 1.6308808936849282
Energy: 1.6335757607326689
Energy: 1.6308808936832304
Energy: 2.1043062255539136
Energy: 1.6133593172302185
Energy: 1.613427383259267
Energy: 1.6133593172327645
Energy: 1.875252606355838
Energy: 1.835577987540525
Energy: 1.6065545160695187
Energy: 1.8355779875498603
Energy: 2.0986258522367276
Energy: 1.7388387010677462
Energy: 1.845680951940892
Energy: 1.7388387010668975
Energy: 1.8880289252795488
Energy: 1.80791603736729
Energy: 2.1094453978595404
Energy: 1.807916037364744
Energy: 1.7325149318759234
Energy: 1.7319043418748552
Energy: 1.83449761083724
Energy: 1.7319043418740065
Energy: 1.7315521727388659
Energy: 1.6719333089497193
Energy: 1.5771803325742888
Energy: 1.671933308948022
Energy: 1.8004735687163735
Energy: 1.7319210108624317
Energy: 1.5793341892221064
Energy: 1.7319210108581886
Energy: 2.0501620870923656
Energy: 1.8151183880470732
Energy: 1.8878210286195196
Energy: 1.8151183880479218
Energy: 2.041616911382687
Energy: 1.7393642797482871
Energy: 1.8453596919109052
Energy: 1.7393642797448927
Energy: 1.6077075938023893
Energy: 1.835438973623909
Energy: 1.7251171537444485
Energy: 1.8354389734313412
Energy: 1.61004956483082
Energy: 1.6141099310781573
Energy: 1.84186936064016
Energy: 1.6141099310790061
Energy: 1.7212837974932689
Energy: 1.635462502616011
Energy: 2.0424293289057784
Energy: 1.635462502614314
Energy: 1.602443194058709
Energy: 1.630553849536916
Energy: 1.8803722138466905
Energy: 1.630553849536916
Energy: 1.984965453951567
Energy: 1.6365451801084943
Energy: 1.611964992841113
Energy: 1.6365451801059485
Energy: 1.9857667350335755
Energy: 1.63339064355861
Energy: 1.6326997191077508
Energy: 1.63339064355861
Energy: 2.003377544326981
Energy: 1.6147519684462008
Energy: 1.6136064751801495
Energy: 1.614751968448747
Energy: 1.87774912202551
Energy: 1.6022983085495086
Energy: 1.6004538737613483
Energy: 1.602298308546114
Energy: 1.8844206400131218
Energy: 1.7314879612115956
Energy: 1.637137154099813
Energy: 1.7314879612098983
Energy: 1.885228502897807
Energy: 1.8856480762543586
Energy: 2.1803567266527466
Energy: 1.8856480762577534
Energy: 1.736837893446472
Energy: 1.7369111591371627
Energy: 1.8249733304398112
Energy: 1.736911159141406
Energy: 1.7306635822487888
Energy: 1.6749781502179726
Energy: 1.7344503964796336
Energy: 1.6749781502188215
Energy: 1.8379084077428438
Energy: 1.7311578536903611
Energy: 1.577030273331958
Energy: 1.7311578536903611
Energy: 2.0414691799854277
Energy: 1.7395220289723314
Energy: 1.8081963975219824
Energy: 1.7395220285379738

minimum gb energy = 1.577030273331958 eV
minimum distance =  2.19294012501844 Angstroms
sigma value = 29


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

Energy: 1.4117821263369434
Energy: 1.8520777534816577
Energy: 1.7553311721946483
Energy: 1.4139881425764238
Energy: 1.568582186954542
Energy: 1.592150742690842
Energy: 1.5527562648421231
Energy: 1.592150742690842
Energy: 1.754077822098835
Energy: 1.5425713381572201
Energy: 1.4235280200171014
Energy: 1.5425713381577784
Energy: 1.4155737820275476
Energy: 1.442231448071803
Energy: 1.4445170403335588
Energy: 1.442231448071803
Energy: 1.4403727600251959
Energy: 1.4419228107250222
Energy: 1.4162937319174242
Energy: 1.4419228107241682
Energy: 1.4446267853191246
Energy: 1.5394064843135284
Energy: 1.416097639368715
Energy: 1.5394064843132325
Energy: 1.4240435642364468
Energy: 1.5430240120649523
Energy: 1.754701091636452
Energy: 1.5430240120652479
Energy: 1.554649986734259
Energy: 1.4423316431130817
Energy: 1.4155767634301955
Energy: 1.4423316431133775
Energy: 1.4164560336642003
Energy: 1.4416608189722409
Energy: 1.4426840019060039
Energy: 1.4416608189707956

minimum gb energy = 1.4117821263369434 eV
minimum distance =  2.2663974795638 Angstroms
sigma value = 5


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

Energy: 1.9314055698674422
Energy: 1.8285162592602755
Energy: 1.8309210246744
Energy: 1.4674938930816508
Energy: 1.890018077240344
Energy: 1.4776186558757618
Energy: 1.7389322532150484
Energy: 1.4776186558757618
Energy: 1.7382949030551371
Energy: 1.5885726064090995
Energy: 1.7353575418512013
Energy: 1.588572606408298
Energy: 1.4960209782089409
Energy: 1.4762084480172795
Energy: 1.885594230175094
Energy: 1.4762084480188828
Energy: 1.7431226003879912
Energy: 1.6035912164019062
Energy: 1.7298437702401177
Energy: 1.6035912164019062
Energy: 1.5579816062154168
Energy: 1.4955636538226087
Energy: 1.7306454925702761
Energy: 1.4955636538234103
Energy: 1.4769745171746687
Energy: 1.4756662259581028
Energy: 1.8839364023344236
Energy: 1.4756662259581028
Energy: 1.4783279633135293
Energy: 1.4785680002040564
Energy: 1.9409342658232154
Energy: 1.4785680002040564
Energy: 1.8190465734775718
Energy: 1.553820226375337
Energy: 1.958907805515551
Energy: 1.5538202263777419
Energy: 1.710243215405875
Energy: 1.4597511240141625
Energy: 1.4593706666926665
Energy: 1.459751124014964
Energy: 1.686303773924586
Energy: 1.4587120717477275
Energy: 1.4587935268760674
Energy: 1.4587120717485293
Energy: 1.9569637985368813
Energy: 1.466563818792049
Energy: 1.45760459141636
Energy: 1.466563818792049
Energy: 1.9625549296050542
Energy: 1.4641366381862981
Energy: 1.650730140225827
Energy: 1.464136638183893
Energy: 1.8175357819918838
Energy: 1.560203192212676
Energy: 1.7303733488276367
Energy: 1.560203192212676
Energy: 1.47809020348702
Energy: 1.4771397038751017
Energy: 1.73227796174247
Energy: 1.4771397038743
Energy: 1.47803526974761
Energy: 1.4768630438027195
Energy: 1.7382037745377594
Energy: 1.476863043801116
Energy: 1.828866475120379
Energy: 1.4768982923278435
Energy: 1.4953134735440698
Energy: 1.4768982923270417
Energy: 1.8064196828839378
Energy: 1.4790092663200993
Energy: 1.8222989088922297
Energy: 1.4790092663192975
Energy: 1.7175648472339493
Energy: 1.5904440316805337
Energy: 1.7384601223092004
Energy: 1.5904440316805337
Energy: 1.88262568509431
Energy: 1.4759715741753752
Energy: 1.491531626191324
Energy: 1.475971574176177
Energy: 1.7317193437819487
Energy: 1.4836111625305206
Energy: 1.7428576976775292
Energy: 1.483611162532124
Energy: 1.7287332839792913
Energy: 1.557915889309209
Energy: 1.5601015227658235
Energy: 1.557915889309209
Energy: 1.8884869225254415
Energy: 1.4763638876167877
Energy: 1.4783524800913264
Energy: 1.4763638876167877
Energy: 1.9634281698675056
Energy: 1.4772658328683361
Energy: 1.4780894829975861
Energy: 1.4772658328675345
Energy: 1.9605435907025823
Energy: 1.5534480705426827
Energy: 1.816539550510968
Energy: 1.5534480705434843
Energy: 1.4641233532417333
Energy: 1.460947993521954
Energy: 1.7100576823252438
Energy: 1.4609479935227558
Energy: 1.463499227702834
Energy: 1.4583726677739441
Energy: 1.6833818055191798
Energy: 1.4583726677699358
Energy: 1.500185438983076
Energy: 1.4600185559854648
Energy: 1.4916979237816348
Energy: 1.4600185559854648
Energy: 1.462315392261
Energy: 1.4581134045455466
Energy: 1.9376793769393394
Energy: 1.458113404544745
Energy: 1.72964148693607
Energy: 1.553407243602694
Energy: 1.8159237179800316
Energy: 1.553407243602694
Energy: 1.7292049225245876
Energy: 1.4772166961524087
Energy: 1.480378642972537
Energy: 1.4772166961532105
Energy: 1.7382053421021915
Energy: 1.477225351412657
Energy: 1.4793584686188197
Energy: 1.477225351412657
Energy: 1.4964588197756472
Energy: 1.4759745123354882
Energy: 1.5604336270964358
Energy: 1.4759745123354882

minimum gb energy = 1.45760459141636 eV
minimum distance =  2.22705011073376 Angstroms
sigma value = 1


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

Energy: 2.05312015196803
Energy: 1.7988356350136085
Energy: 1.7990516370319094
Energy: 1.426474274624813
Energy: 1.695368757765433
Energy: 1.4258176763760544
Energy: 1.7617876823058105
Energy: 1.4258176763749462
Energy: 1.7635221825109089
Energy: 1.5718024584240733
Energy: 1.7581961267475135
Energy: 1.5718024584240733
Energy: 1.441129908817989
Energy: 1.422801120532831
Energy: 1.7633711759412516
Energy: 1.4228011205339397
Energy: 1.7815377883905619
Energy: 1.5131026050577674
Energy: 1.757044576641255
Energy: 1.5131026050577674
Energy: 1.5142332944105714
Energy: 1.4412444738225412
Energy: 1.7577682053711767
Energy: 1.4412444738203245
Energy: 1.4203611310993867
Energy: 1.4228293173559867
Energy: 1.989367709130331
Energy: 1.4228293173570954
Energy: 1.4260296637612608
Energy: 1.4281346187173714
Energy: 2.0633147412281767
Energy: 1.4281346187173714
Energy: 1.7182145493071888
Energy: 1.5293821073816747
Energy: 2.051926078509724
Energy: 1.5293821073827831
Energy: 1.7462151859827353
Energy: 1.425553780181881
Energy: 1.4256622561249523
Energy: 1.425553780179664
Energy: 1.7152168683521312
Energy: 1.423131309881079
Energy: 1.4211254987899609
Energy: 1.423131309881079
Energy: 2.0489660515226853
Energy: 1.4263778780874306
Energy: 1.423465760441624
Energy: 1.426377878089647
Energy: 2.0773013080562737
Energy: 1.4244565378412581
Energy: 1.4402435013111428
Energy: 1.4244565378390412
Energy: 1.920933097157946
Energy: 1.4233998123164917
Energy: 1.7571300129082592
Energy: 1.4233998123175495
Energy: 1.439845622151284
Energy: 1.5700849419777656
Energy: 1.7610230765438948
Energy: 1.5700849419777656
Energy: 1.4400431949593133
Energy: 1.4246348707849268
Energy: 1.8122958638545588
Energy: 1.4246348707827103
Energy: 1.5600746150016545
Energy: 1.5167182493220777
Energy: 1.7512414140129058
Energy: 1.516718249323186
Energy: 1.4400781489303447
Energy: 1.4250574711122874
Energy: 1.7545497728257355
Energy: 1.4250574711122874
Energy: 1.4213423785996586
Energy: 1.4251721171660305
Energy: 2.051777181745325
Energy: 1.425172117164922
Energy: 1.4248240527541407
Energy: 1.5178011668479365
Energy: 2.062692463197899
Energy: 1.5178011668490448
Energy: 1.754605570534145
Energy: 1.5319452538517981
Energy: 1.7178077044274487
Energy: 1.5319452538517981
Energy: 1.7537349922993
Energy: 1.4255067925614677
Energy: 1.4256583174937885
Energy: 1.4255067925614677
Energy: 1.9207483912777876
Energy: 1.423571907978879
Energy: 1.4234581380036644
Energy: 1.4235719079810956
Energy: 2.075799894167586
Energy: 1.4243418308921982
Energy: 1.422851819922007
Energy: 1.424341830894415

minimum gb energy = 1.4203611310993867 eV
minimum distance =  2.23221390750331 Angstroms
sigma value = 17


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

Energy: 2.1815797694149803
Energy: 1.7980927692025812
Energy: 1.799451989846798
Energy: 1.4103094428064802
Energy: 1.408158502759655
Energy: 1.4088688545761385
Energy: 1.6364012631781495
Energy: 1.408868854574768
Energy: 1.8306558803064155
Energy: 1.7122215316878278
Energy: 1.6275835583201248
Energy: 1.7122215316871428
Energy: 1.7975830753985313
Energy: 1.494048174103482
Energy: 1.7976678154476158
Energy: 1.4940481741027967
Energy: 1.5739380362975992
Energy: 1.4246331049200638
Energy: 1.9980214614874063
Energy: 1.4246331049200638
Energy: 1.4314301517459553
Energy: 1.4225449376717625
Energy: 1.9802282784767395
Energy: 1.4225449376731325
Energy: 1.3944398041848
Energy: 1.3928281238273945
Energy: 1.4929606251458016
Energy: 1.3928281238273945
Energy: 1.4014764234362524
Energy: 1.3955557383137058
Energy: 2.189453605422914
Energy: 1.395555738314391
Energy: 1.9770308520330213
Energy: 1.395681070038328
Energy: 1.8183057782832126
Energy: 1.395681070039698
Energy: 1.6040309555609271
Energy: 1.4936362092459334
Energy: 1.6354806555078039
Energy: 1.4936362092466187
Energy: 2.0790385613367217
Energy: 1.4070112438477964
Energy: 1.4168080600137236
Energy: 1.4070112438477964
Energy: 1.9766114421995125
Energy: 1.410853058060921
Energy: 1.6404003748832205
Energy: 1.410853058060236
Energy: 1.9879554753058086
Energy: 1.469635226055368
Energy: 1.4777846875669176
Energy: 1.469635226055368
Energy: 1.8678688732510431
Energy: 1.406931866919435
Energy: 1.4108225514708734
Energy: 1.40693186692012
Energy: 1.824335510810997
Energy: 1.4094318606318377
Energy: 1.415846335107628
Energy: 1.4094318606325225
Energy: 2.141517163729292
Energy: 1.4741891750255776
Energy: 1.8109808485888415
Energy: 1.4741891750262628
Energy: 1.408045224708217
Energy: 1.509078179778736
Energy: 1.9886264657042534
Energy: 1.509078179778736
Energy: 1.4121732562242082
Energy: 1.4075753326295701
Energy: 2.0807590294535356
Energy: 1.4075753326295701
Energy: 1.4773320734809747
Energy: 1.4095499774466886
Energy: 1.8177757822233975
Energy: 1.4095499774466886
Energy: 1.4873747045344492
Energy: 1.6261757023644912
Energy: 2.1830042619249777
Energy: 1.6261757023514742
Energy: 1.6322594166035012
Energy: 1.4093020419768199
Energy: 1.7264377498324897
Energy: 1.4093020419775046
Energy: 1.630486973556239
Energy: 1.709907814128543
Energy: 1.829420415455554
Energy: 1.7099078141305988
Energy: 1.5816217790509852
Energy: 1.3925669216700485
Energy: 1.8272708303229077
Energy: 1.392566921671419
Energy: 1.9846711937610164
Energy: 1.3942256771872616
Energy: 1.6345895360915315
Energy: 1.3942256771872616
Energy: 1.9766370596228118
Energy: 1.3981560183848194
Energy: 1.4251672969833424
Energy: 1.3981560183861894
Energy: 1.7440883849177413
Energy: 1.3936497924394413
Energy: 1.3975276392355211
Energy: 1.3936497924401263
Energy: 2.1844371654036983
Energy: 1.3966839052267743
Energy: 1.394632456794609
Energy: 1.39668390522883
Energy: 2.0219517980533945
Energy: 1.394839582257547
Energy: 1.9774078047896158
Energy: 1.3948395822589172
Energy: 1.6301123782636004
Energy: 1.7088772511059491
Energy: 1.6077280385763084
Energy: 1.7088772511066344
Energy: 1.419034919053499
Energy: 1.4063006531442825
Energy: 2.0827160816476202
Energy: 1.406300653143597
Energy: 1.6358026005940896
Energy: 1.503067749829665
Energy: 1.9797152455855405
Energy: 1.503067749829665
Energy: 1.4723520352775112
Energy: 1.4703427990782707
Energy: 1.9817989505140954
Energy: 1.4703427990769007
Energy: 1.4073452691696249
Energy: 1.406089941680224
Energy: 1.863426058426967
Energy: 1.4060899416809087
Energy: 1.4077155331292202
Energy: 1.4100191575481098
Energy: 1.7973231534123024
Energy: 1.4100191575487946
Energy: 2.0344476850218522
Energy: 1.4719029459484174
Energy: 2.1355436065317326
Energy: 1.4719029459477322
Energy: 1.9876307247367784
Energy: 1.4117397827181648
Energy: 1.4086852256977656
Energy: 1.4117397827181648
Energy: 2.0813711941162527
Energy: 1.4067258497081332
Energy: 1.4079604422435619
Energy: 1.4067258497088184
Energy: 1.823290995002647
Energy: 1.4110855312727286
Energy: 1.4992506366472953
Energy: 1.4110855312713586

minimum gb energy = 1.3925669216700485 eV
minimum distance =  2.23111893399286 Angstroms
sigma value = 89


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

Energy: 2.2966441205288923
Energy: 1.2895415689019836
Energy: 1.2894101159905862
Energy: 1.3545649838005371
Energy: 1.7450059752952294
Energy: 1.2892735494332397
Energy: 1.7203576249676977
Energy: 1.2892735494314473
Energy: 1.2778100894934605
Energy: 1.425726438744624
Energy: 1.7386476722963082
Energy: 1.425726438744624
Energy: 1.2792805509274154
Energy: 1.427712465962609
Energy: 1.4059779813421687
Energy: 1.427712465962609
Energy: 1.3277013240507087
Energy: 1.2897262497921118
Energy: 1.73171152541793
Energy: 1.2897262497921118
Energy: 1.2894741191557983
Energy: 1.2898747118672167
Energy: 1.729573616706983
Energy: 1.2898747118672167
Energy: 1.2873967543523066
Energy: 1.2882014585159214
Energy: 1.4056020250745904
Energy: 1.2882014585159214
Energy: 1.2903713708243332
Energy: 1.2904961783623037
Energy: 2.1401142816703977
Energy: 1.2904961783623037
Energy: 1.720248496566606
Energy: 1.4268181209106687
Energy: 2.1421147105401315
Energy: 1.426818120908876
Energy: 1.7955622167059382
Energy: 1.428721636078463
Energy: 1.7453535028671616
Energy: 1.428721636078463
Energy: 1.4035715752450928
Energy: 1.4260801975110757
Energy: 1.2768815100183395
Energy: 1.4260801975110757
Energy: 1.729330129643258
Energy: 1.290719194660955
Energy: 1.405344521287512
Energy: 1.290719194660955
Energy: 1.7313630034614826
Energy: 1.2911919763000614
Energy: 1.290490243502302
Energy: 1.2911919763000614
Energy: 1.4040515456532507
Energy: 1.2873277251118778
Energy: 1.2853084018626066
Energy: 1.2873277251118778
Energy: 2.1415952352942282
Energy: 1.2903142039934796
Energy: 1.2903861752898296
Energy: 1.2903142039934796

minimum gb energy = 1.2768815100183395 eV
minimum distance =  2.25266320051857 Angstroms
sigma value = 13


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

Energy: 2.04635069593183
Energy: 1.6936266227653693
Energy: 1.697911403480143
Energy: 1.2730161109971476
Energy: 1.8443095450870652
Energy: 1.241576351399133
Energy: 1.4784219532290257
Energy: 1.2415763514043925
Energy: 1.984622106480045
Energy: 1.2417707067806498
Energy: 1.4392699693394304
Energy: 1.241770706781401
Energy: 1.6245906925681284
Energy: 1.3386414450689026
Energy: 1.5043754450659776
Energy: 1.3386414450681512
Energy: 1.837621102380118
Energy: 1.333840946091848
Energy: 1.873280698447812
Energy: 1.3338409460933507
Energy: 1.4741793544383244
Energy: 1.2429434310718317
Energy: 1.8719693433448221
Energy: 1.2429434310740857
Energy: 1.4714476821261522
Energy: 1.242557070754199
Energy: 1.845715619282863
Energy: 1.2425570707534477
Energy: 1.316396992274136
Energy: 1.2808482820669354
Energy: 2.1553870410492495
Energy: 1.2808482820691895
Energy: 1.2523553954694953
Energy: 1.2439668625260376
Energy: 2.1230933484204813
Energy: 1.2439668625252862
Energy: 1.246812015200667
Energy: 1.2415659312798175
Energy: 2.121216296805541
Energy: 1.2415659312805687
Energy: 1.2420986699104146
Energy: 1.2490841442464355
Energy: 2.047854594442236
Energy: 1.2490841442486897
Energy: 1.8638326571204407
Energy: 1.2415355461779622
Energy: 1.8389860325480614
Energy: 1.2415355461809676
Energy: 1.8765976987016908
Energy: 1.3229549041722561
Energy: 1.8649983160936152
Energy: 1.3229549041722561
Energy: 1.8276622993233775
Energy: 1.240267959118187
Energy: 1.6267160757521932
Energy: 1.2402679591136792
Energy: 2.0827346919693586
Energy: 1.2431344980841952
Energy: 1.7108209961708383
Energy: 1.2431344980834438
Energy: 2.0899504255191528
Energy: 1.2442170620257864
Energy: 1.2590143222801662
Energy: 1.2442170620205273
Energy: 1.846857123837197
Energy: 1.241671671539923
Energy: 1.2424992710447536
Energy: 1.241671671537669
Energy: 2.0497348591737192
Energy: 1.243075185038193
Energy: 1.2524113261330718
Energy: 1.2430751850396955
Energy: 2.2207348341146087
Energy: 1.243759609869759
Energy: 1.51133815081893
Energy: 1.243759609869759
Energy: 2.1214113461067035
Energy: 1.2401022118240626
Energy: 1.434697716089985
Energy: 1.2401022118210572
Energy: 1.6207365495500246
Energy: 1.2468099513588558
Energy: 1.5211697210261532
Energy: 1.2468099513581041
Energy: 1.8331894180122446
Energy: 1.3288168174116544
Energy: 1.8706298996286836
Energy: 1.3288168174094004
Energy: 1.4822809888802715
Energy: 1.2428705022596465
Energy: 1.840989584308499
Energy: 1.242870502258144
Energy: 1.2437580849180112
Energy: 1.2403576982635585
Energy: 1.8337999693472862
Energy: 1.2403576982613047
Energy: 1.4631590937411088
Energy: 1.2794658899511901
Energy: 2.1359119993488975
Energy: 1.2794658899526925
Energy: 1.2827233923813324
Energy: 1.2781778575894118
Energy: 2.1441975384536383
Energy: 1.2781778575886604
Energy: 1.2410871063300197
Energy: 1.2402948644389278
Energy: 1.8400667804820139
Energy: 1.2402948644366738
Energy: 1.241413217435254
Energy: 1.2452990078695756
Energy: 2.052225509880925
Energy: 1.2452990078703272
Energy: 1.7884190944546299
Energy: 1.242154146707492
Energy: 2.265210351627386
Energy: 1.242154146707492
Energy: 1.4331563519775612
Energy: 1.3284224053687195
Energy: 1.8427451366157825
Energy: 1.3284224053664657
Energy: 1.8475306004522796
Energy: 1.334965099391204
Energy: 1.6226231863053155
Energy: 1.334965099391204
Energy: 2.0898978154941332
Energy: 1.242722588218499
Energy: 1.8441229187389931
Energy: 1.2427225882215043
Energy: 2.169370340461978
Energy: 1.2441341334889147
Energy: 1.2571382743017714
Energy: 1.244134133482904
Energy: 1.8303168352338837
Energy: 1.2402323224822376
Energy: 1.2411992520581419
Energy: 1.2402323224829888
Energy: 2.2258139086327664
Energy: 1.2418723113358177
Energy: 1.2498335830854792
Energy: 1.2418723113358177

minimum gb energy = 1.2401022118210572 eV
minimum distance =  2.24343233854224 Angstroms
sigma value = 37


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

Energy: 1.7965928897574848
Energy: 1.1424655158712576
Energy: 1.1438487440667156
Energy: 1.2259030957998314
Energy: 1.7773579525309184
Energy: 1.1408235789275127
Energy: 1.4694009974989737
Energy: 1.1408235789275127
Energy: 1.7607109463735509
Energy: 1.1391187637848217
Energy: 1.4912476537789128
Energy: 1.1391187637848217
Energy: 1.8057575778915418
Energy: 1.2836113277577805
Energy: 1.4706550441170934
Energy: 1.2836113277577805
Energy: 1.7746936141667886
Energy: 1.2846332673959684
Energy: 1.465583362466712
Energy: 1.2846332673959684
Energy: 1.3602945589911362
Energy: 1.1403817101754856
Energy: 1.7773676647868482
Energy: 1.1403817101754856
Energy: 1.1334491247481326
Energy: 1.1391568612638157
Energy: 1.775156403333552
Energy: 1.1391568612638157
Energy: 1.200684546888407
Energy: 1.1401277571569353
Energy: 2.0611398247664856
Energy: 1.1401277571569353
Energy: 1.1400030414783842
Energy: 1.1439221451999015
Energy: 2.0146613571133063
Energy: 1.1439221451999015
Energy: 1.1407983700241455
Energy: 1.1409099685177493
Energy: 1.7601853027779064
Energy: 1.1409099685177493
Energy: 1.1438244721431348
Energy: 1.2259030957998314
Energy: 1.7965928897574848
Energy: 1.1424655158725503
Energy: 1.4694009974989737
Energy: 1.1408235789288053
Energy: 1.7773579525696679
Energy: 1.1408235789288053
Energy: 1.4912476537789128
Energy: 1.1391187637861142
Energy: 1.7607109463735509
Energy: 1.1391187637848217
Energy: 1.4706550441170934
Energy: 1.2836113277577805
Energy: 1.8057575778928345
Energy: 1.2836113277577805
Energy: 1.4655833624654193
Energy: 1.2846332673946756
Energy: 1.7746936141667886
Energy: 1.2846332673959684
Energy: 1.7773676637997164
Energy: 1.1403817101754856
Energy: 1.1333599431988641
Energy: 1.1403817101754856
Energy: 1.7751564033245038
Energy: 1.1391568612638157
Energy: 1.1334491247481326
Energy: 1.1391568612638157
Energy: 2.0611398247664856
Energy: 1.1401277571569353
Energy: 1.2006845468896998
Energy: 1.1401277571569353
Energy: 2.0146613571133063
Energy: 1.1439221451999015
Energy: 1.1400030414796767
Energy: 1.1439221451999015
Energy: 1.7601853027701506
Energy: 1.1409099685177493
Energy: 1.1407983700241455
Energy: 1.1409099685177493

minimum gb energy = 1.1333599431988641 eV
minimum distance =  2.25225312827591 Angstroms
sigma value = 25


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

Energy: 2.1270636266168004
Energy: 1.0253378956005634
Energy: 1.0239646098133517
Energy: 1.094789227136827
Energy: 1.956192743517028
Energy: 1.0222650901094965
Energy: 1.2821958750409228
Energy: 1.022265090108487
Energy: 1.9859473192914614
Energy: 1.0212057231108855
Energy: 1.2721714607257055
Energy: 1.0212057231108855
Energy: 1.522474608091755
Energy: 1.0251415518467402
Energy: 1.282551950141279
Energy: 1.0251415518477496
Energy: 1.952497176235352
Energy: 1.1330086927631269
Energy: 1.7635370834498425
Energy: 1.1330086927641363
Energy: 1.5330575359107526
Energy: 1.132490936558465
Energy: 1.7610648157752378
Energy: 1.132490936558465
Energy: 1.5297676786280545
Energy: 1.1339202751640138
Energy: 1.7440241523116997
Energy: 1.1339202751640138
Energy: 1.281947702060319
Energy: 1.0248152108080455
Energy: 1.768947789699666
Energy: 1.0248152108080455
Energy: 1.2813456861271886
Energy: 1.0211958550447724
Energy: 2.1733051593142
Energy: 1.0211958550447724
Energy: 1.28238185868191
Energy: 1.0221436279953904
Energy: 1.972866013240217
Energy: 1.0221436279953904
Energy: 1.0208351699965235
Energy: 1.0225163286619425
Energy: 1.822936944040613
Energy: 1.022516328659924
Energy: 1.0288274119007557
Energy: 1.0222645168893818
Energy: 1.9574749611883893
Energy: 1.0222645168883724
Energy: 1.0216891162886816
Energy: 1.0249480317810604
Energy: 1.9947008392032142
Energy: 1.024948031780051
Energy: 1.082337835541539
Energy: 1.0294297096822744
Energy: 1.9406871824004186
Energy: 1.0294297096822744
Energy: 1.278822433356556
Energy: 1.0208888896337731
Energy: 1.9524300992562533
Energy: 1.0208888896327637
Energy: 1.2723469569088843
Energy: 1.0226750536632139
Energy: 1.9898690347745691
Energy: 1.0226750536622047
Energy: 1.7402560203185378
Energy: 1.0226906153074757
Energy: 1.9829747901447294
Energy: 1.0226906153084854
Energy: 1.271817626228137
Energy: 1.1338585157946892
Energy: 1.7408061909536274
Energy: 1.1338585157956984
Energy: 1.7579022814633036
Energy: 1.1339901311649323
Energy: 1.531435223773445
Energy: 1.1339901311639229
Energy: 1.9737299808004043
Energy: 1.1324120152691437
Energy: 1.5326077140863172
Energy: 1.1324120152671249
Energy: 1.8244197695354494
Energy: 1.0270740573146815
Energy: 1.2830731966386708
Energy: 1.0270740573156911
Energy: 2.1727262574355333
Energy: 1.0204203567966086
Energy: 1.0230388973393616
Energy: 1.0204203567955992
Energy: 2.169719947726938
Energy: 1.0246501773024614
Energy: 1.2858002500630163
Energy: 1.0246501773024614
Energy: 1.826343661899978
Energy: 1.02279475771416
Energy: 1.0214786151818191
Energy: 1.02279475771416
Energy: 1.9519735049179354
Energy: 1.0208288628763884
Energy: 1.0221212410207046
Energy: 1.0208288628763884
Energy: 1.945634543533239
Energy: 1.0232614184115494
Energy: 1.0223838675457595
Energy: 1.0232614184115494

minimum gb energy = 1.0204203567955992 eV
minimum distance =  2.24925875820454 Angstroms
sigma value = 41


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

Energy: 2.464084765265477
Energy: 0.9418589411381466
Energy: 0.9423458584958845
Energy: 1.003789238233762
Energy: 2.070936148851286
Energy: 0.9402005298123917
Energy: 1.1513778002027875
Energy: 0.9402005298123917
Energy: 2.1662498792437708
Energy: 0.9374876810728865
Energy: 1.1475467706377143
Energy: 0.9374876810753692
Energy: 1.802566003311272
Energy: 0.9433602279592587
Energy: 1.5432168359864475
Energy: 0.9433602279584311
Energy: 2.0596801206735065
Energy: 0.9358057996231146
Energy: 1.582097151749889
Energy: 0.9358057996239422
Energy: 1.8359446867403226
Energy: 1.3018644675221978
Energy: 1.563401157436208
Energy: 1.3018644675238527
Energy: 1.8123585859269302
Energy: 1.0326164161862483
Energy: 1.8904476437451752
Energy: 1.0326164161821108
Energy: 1.7317816049297672
Energy: 1.2962534585303835
Energy: 1.700032476138627
Energy: 1.2962534585303835
Energy: 1.4611321798849726
Energy: 0.9351513314517436
Energy: 1.9229759488613143
Energy: 0.9351513314542262
Energy: 1.4468192919316942
Energy: 0.9366795759013857
Energy: 2.003595194632493
Energy: 0.9366795759022134
Energy: 1.1561569415463144
Energy: 0.9387987374136009
Energy: 2.202155142485255
Energy: 0.9387987374127734
Energy: 1.1565271344638013
Energy: 0.9347070819271677
Energy: 2.239280866057948
Energy: 0.9347070819304778
Energy: 1.1676647312322868
Energy: 0.9375750773011796
Energy: 2.318494816193615
Energy: 0.9375750773028347
Energy: 1.0308082786414108
Energy: 0.9441602729295714
Energy: 1.9747747084627982
Energy: 0.9441602729270887
Energy: 1.0364686078959775
Energy: 0.9354201304530693
Energy: 2.0485093484217693
Energy: 0.9354201304530693
Energy: 1.035049630805827
Energy: 0.9314131825714109
Energy: 2.0863155604103873
Energy: 0.9314131825738936
Energy: 1.2465981446512768
Energy: 0.9342963057689553
Energy: 2.0460457020038687
Energy: 0.9342963057689553
Energy: 1.2334849275248962
Energy: 0.9278639202108504
Energy: 2.050301148360339
Energy: 0.9278639202091954
Energy: 1.2333175057469192
Energy: 0.9395363433524774
Energy: 1.8206914037155042
Energy: 0.9395363433533049
Energy: 1.5559756439011
Energy: 0.9374380128651344
Energy: 1.815126643709615
Energy: 0.9374380128634795
Energy: 1.60063613028692
Energy: 0.936708852029815
Energy: 1.8972486475090806
Energy: 0.9367088520289876
Energy: 1.5580564247432322
Energy: 0.9377371578970425
Energy: 1.8117094533544449
Energy: 0.9377371578283581
Energy: 1.9095972793212528
Energy: 1.0270362951921046
Energy: 1.8315240581584873
Energy: 1.027036295194512
Energy: 1.6555372233229475
Energy: 1.0290450077310815
Energy: 1.546390019530081
Energy: 1.0290450077310815
Energy: 1.9178782114368287
Energy: 1.2896437265740257
Energy: 1.452840816887208
Energy: 1.2896437265731984
Energy: 1.9948427826803823
Energy: 0.9379609218969697
Energy: 1.542292892581056
Energy: 0.9379609218986247
Energy: 1.9735233580514182
Energy: 0.9406749542677243
Energy: 1.15105821516107
Energy: 0.9406749542677243
Energy: 2.059062279183566
Energy: 0.9364968697877177
Energy: 1.1396767823061555
Energy: 0.9364968697860627
Energy: 1.9687826652610414
Energy: 0.9452029440556756
Energy: 1.1520808279729275
Energy: 0.9452029440556756
Energy: 1.9715539025126871
Energy: 0.9431216001772449
Energy: 0.9365769146357863
Energy: 0.9431216001772449
Energy: 2.05970042584604
Energy: 0.9367149084260417
Energy: 0.9383234118084811
Energy: 0.9367149084252141
Energy: 2.1232889300855105
Energy: 0.9528725678233274
Energy: 0.9426356672491208
Energy: 0.9528725678233274

minimum gb energy = 0.9278639202091954 eV
minimum distance =  2.24247194910333 Angstroms
sigma value = 15


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

Energy: 2.0231891902901094
Energy: 0.8622548466916338
Energy: 0.8620234521177164
Energy: 0.9161691656212982
Energy: 2.140151092800322
Energy: 0.858988300883891
Energy: 1.0341818328400016
Energy: 0.858988300883891
Energy: 2.150673924407229
Energy: 0.8569221480166063
Energy: 1.0334695495996844
Energy: 0.8569221480102971
Energy: 1.880684836155798
Energy: 0.8618656194814038
Energy: 1.3929964972741224
Energy: 0.861865619480703
Energy: 1.9890655836655553
Energy: 0.8536839419559562
Energy: 1.3877120650201809
Energy: 0.8536839419580593
Energy: 1.8623850870331478
Energy: 0.861154378125057
Energy: 1.3759614444689403
Energy: 0.8611543781208508
Energy: 1.5496051771018033
Energy: 0.8559411230661924
Energy: 1.693103105707038
Energy: 0.8559411230606478
Energy: 1.7023853347044786
Energy: 0.9407191199613749
Energy: 1.3973850394052987
Energy: 0.9407191199627769
Energy: 1.566897172521151
Energy: 0.9322432814326269
Energy: 1.7105196086152583
Energy: 0.9322432814319258
Energy: 1.5646355809185024
Energy: 0.9331607863812681
Energy: 2.000585654754813
Energy: 0.9331607863826702
Energy: 1.379076610025837
Energy: 0.8568545982736047
Energy: 1.8119261813829748
Energy: 0.8568545982715653
Energy: 1.1972867742094473
Energy: 0.8544195886879432
Energy: 2.000725798829492
Energy: 0.8544195886886441
Energy: 1.3889428059069073
Energy: 0.8555746319003743
Energy: 2.003824214608001
Energy: 0.8555746318996734
Energy: 1.0340451374657602
Energy: 0.8621621694026886
Energy: 1.7003852721238095
Energy: 0.8621621693999484
Energy: 1.0266496083566994
Energy: 0.8546115511979835
Energy: 2.2631167788189956
Energy: 0.8546115511986844
Energy: 1.048505186894979
Energy: 0.860016399904138
Energy: 2.008884498046551
Energy: 0.860016399903437
Energy: 0.8558318690291442
Energy: 0.8628711524254288
Energy: 1.9839513818994619
Energy: 0.8628711524261299
Energy: 0.8552257094916632
Energy: 0.856219181608585
Energy: 2.1173011445094763
Energy: 0.856219181608585
Energy: 0.8560640565808678
Energy: 0.85976341986376
Energy: 1.8651173546857374
Energy: 0.85976341986376
Energy: 1.0356474336010686
Energy: 0.8583766254632321
Energy: 2.1171339140066894
Energy: 0.858376625463933
Energy: 1.0227835913867733
Energy: 0.8550979418089372
Energy: 2.11898323616509
Energy: 0.8550979418089372
Energy: 1.0229612719728551
Energy: 0.8608440705140543
Energy: 1.8731727412021186
Energy: 0.8608440705140543
Energy: 1.377203000203496
Energy: 0.8557897854098713
Energy: 1.8577849298865123
Energy: 0.8557897854105723
Energy: 1.3843472746553316
Energy: 0.8579465481325195
Energy: 1.977049560892869
Energy: 0.8579465481332205
Energy: 1.3922487255102667
Energy: 0.8555334041497534
Energy: 1.5984752747111337
Energy: 0.8555334041469494
Energy: 1.7155065079781073
Energy: 0.9328156604098519
Energy: 1.9781760386864409
Energy: 0.9328156604960146
Energy: 1.3732203228714341
Energy: 0.9329546240616061
Energy: 1.7012353656987544
Energy: 0.9329546240616061
Energy: 1.7028032512072497
Energy: 0.9339147050750888
Energy: 1.6000969521698616
Energy: 0.933914705077192
Energy: 1.7200600155176125
Energy: 0.861791358526
Energy: 1.6933556808383254
Energy: 0.8617913585245978
Energy: 1.713313040697294
Energy: 0.8551991022854855
Energy: 1.3772892775157155
Energy: 0.8551991022847844
Energy: 1.9878780675703462
Energy: 0.8535119577452819
Energy: 1.1978578919317842
Energy: 0.8535119577438798
Energy: 1.7015705657761875
Energy: 0.860938996327935
Energy: 1.3905816045982222
Energy: 0.8609389959944365
Energy: 2.005180881932743
Energy: 0.8576141130884132
Energy: 1.0348611360026403
Energy: 0.857614113087712
Energy: 2.1222697381085283
Energy: 0.8583040850721074
Energy: 1.0378259252151767
Energy: 0.8583040850721074
Energy: 2.243442291914643
Energy: 0.8675606364572721
Energy: 0.9194590494205876
Energy: 0.867560636457973
Energy: 2.280397775213294
Energy: 0.8573943618294719
Energy: 0.8627589517270305
Energy: 0.8573943618308739
Energy: 2.1446012657653863
Energy: 0.8579466167958296
Energy: 0.8644926951670213
Energy: 0.8579466167944275

minimum gb energy = 0.8535119577438798 eV
minimum distance =  2.24336673322152 Angstroms
sigma value = 85


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

Energy: 2.15669593886876
Energy: 0.7755217770474604
Energy: 0.7787847188130443
Energy: 0.8730459163493165
Energy: 2.151230678014085
Energy: 0.7771599451911765
Energy: 0.9214932993088861
Energy: 0.7771599451911765
Energy: 1.9232471597279888
Energy: 0.7764027537473412
Energy: 0.9210310530879031
Energy: 0.7764027537491653
Energy: 1.6596067174419225
Energy: 0.7748590695355015
Energy: 1.234261617718311
Energy: 0.7748590695348937
Energy: 2.0289627385752422
Energy: 0.7749329275136261
Energy: 1.2412020559115635
Energy: 0.774932927510586
Energy: 1.662410732923257
Energy: 0.7751712202464568
Energy: 1.2348456815756799
Energy: 0.7751712202464568
Energy: 1.6608529651458297
Energy: 0.7752358208257172
Energy: 1.5196454986419312
Energy: 0.775235820824501
Energy: 1.7804880521224067
Energy: 0.7750488392633129
Energy: 1.2438578702943737
Energy: 0.7750488392608808
Energy: 1.663559865469798
Energy: 0.7746332858581765
Energy: 1.5350932557087404
Energy: 0.7746332858575685
Energy: 1.6675696135822768
Energy: 1.1151937083543955
Energy: 1.795787449225364
Energy: 1.1151937083543955
Energy: 1.5187383681296711
Energy: 0.7745197694505785
Energy: 1.6009987462090267
Energy: 0.7745197694542265
Energy: 1.4053666867225079
Energy: 0.7753795886344231
Energy: 1.796336077563942
Energy: 0.775379588635639
Energy: 1.5313141806543225
Energy: 0.7748302386277297
Energy: 1.794047260620923
Energy: 0.7748302386289457
Energy: 1.233755767064354
Energy: 0.7753236095134455
Energy: 1.54217847652597
Energy: 0.7753236095134455
Energy: 1.067626429362809
Energy: 0.7746061899003779
Energy: 2.027148981337737
Energy: 0.7746061899003779
Energy: 1.2371729463594803
Energy: 0.7773060375981099
Energy: 1.7938678353667241
Energy: 0.7773060375975017
Energy: 0.9307056751716273
Energy: 0.7787899507836898
Energy: 1.7817168372298688
Energy: 0.7787899507830819
Energy: 0.9212609894777879
Energy: 0.7751213623711409
Energy: 2.150051647256394
Energy: 0.7751213623711409
Energy: 0.9309026060706225
Energy: 0.7753868628574647
Energy: 2.021227232130238
Energy: 0.7753868628574647
Energy: 0.7756868405787509
Energy: 0.7758483737782808
Energy: 2.0212195953192134
Energy: 0.7758483737788886
Energy: 0.7761814487625145
Energy: 0.7753414794326605
Energy: 2.150208175343167
Energy: 0.7753414794326605
Energy: 0.7757284094121887
Energy: 0.7759043295671145
Energy: 1.8991845109207282
Energy: 0.7759043295665065
Energy: 0.9315632508203947
Energy: 0.7752301755286233
Energy: 2.143898262831175
Energy: 0.7752301755292313
Energy: 0.9248668398383657
Energy: 0.7750321691735279
Energy: 2.150684943247484
Energy: 0.7750321691729198
Energy: 0.9221190944724447
Energy: 0.7748795502815976
Energy: 1.780839992868646
Energy: 0.7748795502815976
Energy: 1.2430298200186594
Energy: 0.7753262589727462
Energy: 2.1782149448387726
Energy: 0.7753262589727462
Energy: 1.241284445937592
Energy: 0.7749103129885986
Energy: 1.9243479034462099
Energy: 0.7749103129892068
Energy: 1.5182952893450472
Energy: 0.7758545205141129
Energy: 1.7851508055893408
Energy: 0.7758545205135048
Energy: 1.5368675939346919
Energy: 0.77544630926693
Energy: 1.9165229552843812
Energy: 0.7754463092663222
Energy: 1.5341773292237662
Energy: 0.7756090310588752
Energy: 1.6638676096536016
Energy: 0.7756090311609646
Energy: 1.7815299789668664
Energy: 1.121819237198601
Energy: 1.4205197827616776
Energy: 1.121819237197993
Energy: 1.5325220548130463
Energy: 0.7748129580589572
Energy: 1.6672418398840454
Energy: 0.7748129580613893
Energy: 1.7957110161028274
Energy: 0.7760761462462599
Energy: 1.4002938517068064
Energy: 0.7760761462420039
Energy: 2.0370131330069157
Energy: 0.7753282580110271
Energy: 1.4016679912821324
Energy: 0.7753282580262272
Energy: 1.598008816790742
Energy: 0.7766403314236001
Energy: 1.2337525263523879
Energy: 0.7766403314236001
Energy: 2.0518927294026024
Energy: 0.7744691350786407
Energy: 1.2410824810937224
Energy: 0.7744691350786407
Energy: 2.0503823171121836
Energy: 0.7753864810152749
Energy: 1.240289927065844
Energy: 0.7753864810164908
Energy: 1.7920993986803277
Energy: 0.7748727834281497
Energy: 0.9232341797113509
Energy: 0.7748727834281497
Energy: 2.291180647778133
Energy: 0.7747923488294262
Energy: 0.923465058600983
Energy: 0.7747923488300342
Energy: 2.022716703321067
Energy: 0.7754474530207549
Energy: 0.9311963117444308
Energy: 0.7754474530207549
Energy: 1.7718569876385182
Energy: 0.775254263081302
Energy: 0.7758095995941952
Energy: 0.775254263081302
Energy: 2.151476175828711
Energy: 0.7757357829608232
Energy: 0.7756113502786736
Energy: 0.7757357829608232
Energy: 1.9000779327722952
Energy: 0.7754962020936178
Energy: 0.7753619152350365
Energy: 0.7754962020936178

minimum gb energy = 0.7744691350786407 eV
minimum distance =  2.2482776596572 Angstroms
sigma value = 113


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

Energy: 0.02046603076877721
Energy: 0.7594247516841078
Energy: 1.7013640824231442
Energy: 0.021639799191949007
Energy: 1.1144376900385884
Energy: 0.17753376854191824
Energy: 1.11799091461908
Energy: 0.17753376854191824
Energy: 0.02124277085935818
Energy: 0.17488460706501868
Energy: 1.115481245423233
Energy: 0.17488460706543413
Energy: 0.023114905965179372
Energy: 0.1752748552051788
Energy: 1.1122793240882873
Energy: 0.1752748552047114
Energy: 1.1171107780116512
Energy: 0.17507087449198078
Energy: 1.1162952636964854
Energy: 0.17507087449198078
Energy: 0.02107315446593102
Energy: 0.1745562662501209
Energy: 1.115517400840259
Energy: 0.1745562662501209

minimum gb energy = 0.02046603076877721 eV
minimum distance =  2.45865492573054 Angstroms
sigma value = 1