Model name: model_name=MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_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=4.450350014499072
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, 4.67463872148912e-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: 0.018089586422229978
Energy: 0.16010889211205734
Energy: 1.1254326442687572
Energy: 0.018369321909524453
Energy: 0.16010889211205734
Energy: 2.2537815833455013
Energy: 0.018369321909524453
Energy: 2.2537815833455013
Energy: 1.1254326442687572
Energy: 0.018369321908900175
Energy: 0.018089586422229978
Energy: 0.1601088921113963
Energy: 0.018369321908900175
Energy: 2.253781583343555
Energy: 0.16010889211205734
Energy: 2.2537815833422696

minimum gb energy = 0.018089586422229978 eV
minimum distance =  2.44908382934926 Angstroms
sigma value = 1


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

Energy: 2.065352429302646
Energy: 1.43130518789607
Energy: 1.432362061044842
Energy: 1.317804999459356
Energy: 1.3376291231935216
Energy: 1.4451269816076378
Energy: 1.3372864433390037
Energy: 1.445126981606836
Energy: 1.4318012148651427
Energy: 1.4313965978883298
Energy: 2.2401104318369263
Energy: 1.4313965978883298
Energy: 1.3432958779401771
Energy: 1.3374769095816326
Energy: 1.3377822419803829
Energy: 1.3374769095808308
Energy: 1.9198726207702497
Energy: 1.3391904102068914
Energy: 1.3366772895460182
Energy: 1.3391904102068914
Energy: 1.424692916272092
Energy: 1.4824113556459817
Energy: 1.3514112190990246
Energy: 1.4824113556451801
Energy: 1.4510386841747445
Energy: 1.451957319021527
Energy: 1.9208808680725302
Energy: 1.4519573190207256
Energy: 1.3947201901757915
Energy: 1.3957649268516483
Energy: 1.4558843835160418
Energy: 1.3957649268508467
Energy: 1.6546835132298803
Energy: 1.5260161317046521
Energy: 1.4936699084080567
Energy: 1.5260161317046521
Energy: 1.4499399352000781
Energy: 1.5010371519974655
Energy: 1.4085856811557305
Energy: 1.5010371519974655
Energy: 1.4043270495208564
Energy: 1.526390202103002
Energy: 1.6547531772515525
Energy: 1.526390202103002
Energy: 1.3954243915106692
Energy: 1.527850330330962
Energy: 1.4599406729146278
Energy: 1.527850330332565
Energy: 1.448710605935141
Energy: 1.451686848085558
Energy: 1.377768145434211
Energy: 1.4516868480863596
Energy: 1.4264057684842046
Energy: 1.4512634406003684
Energy: 1.4140454616282612
Energy: 1.4512634405979634
Energy: 1.3770776961541364
Energy: 1.3390190661432988
Energy: 1.3379614306788377
Energy: 1.3390190661441006
Energy: 1.3874788238028621
Energy: 1.3378839456195257
Energy: 1.3386471856755129
Energy: 1.3378839456187244
Energy: 1.4336228623675193
Energy: 1.4311223248441838
Energy: 1.3109205826019472
Energy: 1.4311223248441838
Energy: 1.3381613691262737
Energy: 1.342934348750497
Energy: 1.3606310790160672
Energy: 1.342934348750497
Energy: 1.3488923381052156
Energy: 1.4311443175014396
Energy: 1.4349890269035612
Energy: 1.4311443175014396
Energy: 1.4213768043403467
Energy: 1.4456699470334364
Energy: 1.343797686315353
Energy: 1.4456699470334364
Energy: 1.337347300468754
Energy: 1.344531369063531
Energy: 1.9195461673123058
Energy: 1.3445313690627294
Energy: 1.3515151200823132
Energy: 1.3498659739664962
Energy: 1.4252994752033008
Energy: 1.349865973967298
Energy: 1.9214085694215621
Energy: 1.4517571583323616
Energy: 1.393439773844849
Energy: 1.4517571583331632
Energy: 1.4564757705890687
Energy: 1.4621263534893845
Energy: 1.3971481084052373
Energy: 1.4621263534901863
Energy: 1.4077215667819483
Energy: 1.5274579790608676
Energy: 1.653933419224902
Energy: 1.527457979062471
Energy: 1.4113442765464894
Energy: 1.5267269438824924
Energy: 1.4522345380088588
Energy: 1.5267269438824924
Energy: 1.6557793920738089
Energy: 1.5275315429362186
Energy: 1.404983070414607
Energy: 1.5275315429362186
Energy: 1.45707081056558
Energy: 1.5235737395090485
Energy: 1.395985125190799
Energy: 1.5235737395090485
Energy: 1.3782220111096704
Energy: 1.4516438262414502
Energy: 1.4488033770116353
Energy: 1.4516438262406486
Energy: 1.4140846859299956
Energy: 1.4514859092549657
Energy: 1.4234604572262204
Energy: 1.4514859092549657
Energy: 1.3368942037310387
Energy: 1.3395361196164404
Energy: 1.3776602548609536
Energy: 1.3395361196164404
Energy: 1.3383817835323515
Energy: 1.337700836769135
Energy: 1.3874284862517536
Energy: 1.337700836769135
Energy: 1.3106890339451853
Energy: 1.3424853794445317
Energy: 1.4321597753506161
Energy: 1.3424853794453333

minimum gb energy = 1.3106890339451853 eV
minimum distance =  2.23440303716515 Angstroms
sigma value = 1


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

Energy: 2.3289249689921796
Energy: 1.5048572295803706
Energy: 1.504325278028126
Energy: 1.3741120279823056
Energy: 1.4012752384435148
Energy: 1.5120126138613215
Energy: 1.4020436970364547
Energy: 1.5120126138622354
Energy: 1.505379045997342
Energy: 1.5057220433893999
Energy: 2.1407214966190513
Energy: 1.5057220433893999
Energy: 1.40837082461766
Energy: 1.4015810309922838
Energy: 1.4012759165244808
Energy: 1.401581030994112
Energy: 2.1414529202548986
Energy: 1.4025914591715358
Energy: 1.4017926217720058
Energy: 1.4025914591715358
Energy: 1.5028441723295198
Energy: 1.561116969148319
Energy: 1.4159626265994163
Energy: 1.5611169691501472
Energy: 1.4742902680406746
Energy: 1.5364512365018383
Energy: 1.8013390308484694
Energy: 1.5364512365009242
Energy: 1.465026559798464
Energy: 1.4651295540798397
Energy: 1.5366966227020862
Energy: 1.4651295540798397
Energy: 1.8034181876887445
Energy: 1.608606818602679
Energy: 1.6549176080439036
Energy: 1.608606818599937
Energy: 1.5387682784263295
Energy: 1.5791693116640504
Energy: 1.465762505153835
Energy: 1.5791693116640504
Energy: 1.4486515269510174
Energy: 1.536335413730897
Energy: 1.5440214226372455
Energy: 1.536335413729983
Energy: 1.4907804141953727
Energy: 1.5362829190614307
Energy: 1.5038328362908322
Energy: 1.5362829190623446
Energy: 1.4031940458933712
Energy: 1.402529872386726
Energy: 1.9510804757777183
Energy: 1.402529872386726
Energy: 1.4016599115950987
Energy: 1.4016889935778816
Energy: 1.4560661608643448
Energy: 1.4016889935806238
Energy: 1.3667788810831722
Energy: 1.5053927632240065
Energy: 1.5043319066580143
Energy: 1.5053927632221784
Energy: 1.432900290130755
Energy: 1.409117182338523
Energy: 1.4017247564891506
Energy: 1.409117182337609
Energy: 1.5048409667553637
Energy: 1.5052055312984869
Energy: 1.4148043918749476
Energy: 1.5052055312984869
Energy: 1.4088155908862297
Energy: 1.51424615481703
Energy: 1.5023261884642953
Energy: 1.514246154820686
Energy: 1.4147239389591681
Energy: 1.4094088801327693
Energy: 1.4031058253893092
Energy: 1.4094088801336835
Energy: 1.5040848363065353
Energy: 1.4024042188653576
Energy: 1.4171928257771906
Energy: 1.4024042188653576
Energy: 1.4701382190955774
Energy: 1.5369046749209736
Energy: 1.8012855562959902
Energy: 1.5369046749228015
Energy: 1.464419642248294
Energy: 1.5368475821716276
Energy: 1.5375208658459176
Energy: 1.5368475821670577
Energy: 1.8027160092305528
Energy: 1.6084319700782106
Energy: 1.4725263539081994
Energy: 1.6084319700754686
Energy: 1.537985016273694
Energy: 1.6081953225248795
Energy: 1.4661885312175222
Energy: 1.6081953225267074
Energy: 1.4493122888430972
Energy: 1.53651198182684
Energy: 1.542828779991487
Energy: 1.536511981827754
Energy: 1.4912075416998027
Energy: 1.5399359078097996
Energy: 1.5030285403426973
Energy: 1.5399359078143697
Energy: 1.4016007552453726
Energy: 1.4024348537855376
Energy: 1.4479414018899701
Energy: 1.4024348537855376
Energy: 1.4027160941507821
Energy: 1.402578927947021
Energy: 1.4555629669472876
Energy: 1.4025789279442793
Energy: 1.3667341604049765
Energy: 1.4089833112466825
Energy: 1.5040305942201677
Energy: 1.4089833112457684

minimum gb energy = 1.3667341604049765 eV
minimum distance =  2.23241342635702 Angstroms
sigma value = 25


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

Energy: 2.3571302836149606
Energy: 1.6000845727691648
Energy: 1.6023661115402144
Energy: 1.513573497208219
Energy: 1.4885691880430583
Energy: 1.599292903981792
Energy: 1.5035830509662214
Energy: 1.599292903981792
Energy: 1.6032725935172984
Energy: 1.6019390528096549
Energy: 2.107188539539941
Energy: 1.6019390528096549
Energy: 1.514110310954341
Energy: 1.6437871939680773
Energy: 1.5041177160996797
Energy: 1.6437871939680773
Energy: 2.1079935156137717
Energy: 1.4909773845679055
Energy: 1.490231959194427
Energy: 1.490977384568968
Energy: 1.61794243841415
Energy: 1.6598334656993778
Energy: 1.499778887085101
Energy: 1.6598334656993778
Energy: 1.5660378323040276
Energy: 1.6557127023288591
Energy: 1.7328749441053863
Energy: 1.6557127023288591
Energy: 1.54540485097255
Energy: 1.6641709000866736
Energy: 1.6596181047587801
Energy: 1.6641709000877363
Energy: 1.707160070427021
Energy: 1.6756347740532194
Energy: 1.5155711558660983
Energy: 1.6756347740521567
Energy: 1.614278783637502
Energy: 1.6780403538222077
Energy: 1.5745993092633241
Energy: 1.6780403538222077
Energy: 1.454319403814849
Energy: 1.5779840849903348
Energy: 1.57696662109194
Energy: 1.5779840849903348
Energy: 1.4550709433433298
Energy: 1.7583521016254426
Energy: 1.5195525580072557
Energy: 1.7583521016254426
Energy: 1.4428501711252308
Energy: 1.4429223922892394
Energy: 1.4220843912380372
Energy: 1.4429223922892394
Energy: 1.443213791574871
Energy: 1.422981388166454
Energy: 1.5184040242233616
Energy: 1.4229813881675164
Energy: 2.1077653649647017
Energy: 1.6874443800091683
Energy: 1.695336039064875
Energy: 1.6874443800091683
Energy: 1.5671764592784667
Energy: 1.6827266692051983
Energy: 1.5867613506630516
Energy: 1.6827266692041358
Energy: 1.4930945585455022
Energy: 1.5346637152664686
Energy: 2.1088184159579044
Energy: 1.5346637152664686
Energy: 1.4919673625306473
Energy: 1.5348753137702384
Energy: 1.6245707624626062
Energy: 1.5348753137702384
Energy: 1.7327302828079196
Energy: 1.651994143265445
Energy: 1.5778564432604791
Energy: 1.651994143265445
Energy: 1.6523035935054007
Energy: 1.648665859524493
Energy: 1.5484398552534484
Energy: 1.648665859524493
Energy: 1.516052878732127
Energy: 1.655873562227105
Energy: 1.680594937397636
Energy: 1.6558735622281677
Energy: 1.5433008116175275
Energy: 1.6751626833348274
Energy: 1.6001953921773586
Energy: 1.6751626833348274
Energy: 1.4885715197699598
Energy: 1.4901795973687604
Energy: 1.468231681848951
Energy: 1.4901795973687604
Energy: 1.4893010835693457
Energy: 1.4899885582337398
Energy: 1.5474773953211032
Energy: 1.4899885582337398
Energy: 1.453676961750358
Energy: 1.552385450996517
Energy: 1.6019536278121722
Energy: 1.552385450996517

minimum gb energy = 1.4220843912380372 eV
minimum distance =  2.21907292377645 Angstroms
sigma value = 9


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

Energy: 2.0227342851572727
Energy: 1.6671039169833104
Energy: 1.6681683166774457
Energy: 1.4867059617716594
Energy: 1.5478981454130147
Energy: 1.6436951921459926
Energy: 1.5473708584189498
Energy: 1.643695192144725
Energy: 1.667673204749469
Energy: 1.6678136568660455
Energy: 2.36908334211165
Energy: 1.6678136568673132
Energy: 1.5322815863173687
Energy: 1.5463111615802065
Energy: 1.546769492277934
Energy: 1.5463111615802065
Energy: 1.819996231177078
Energy: 1.547160296490376
Energy: 1.5459335932674518
Energy: 1.5471602964916435
Energy: 1.7615380352890329
Energy: 1.7993449098661711
Energy: 1.5485029065643834
Energy: 1.7993449098661711
Energy: 1.6185168291204186
Energy: 1.7501371103787178
Energy: 1.8245943306158918
Energy: 1.7501371103787178
Energy: 1.5490010783628272
Energy: 1.761769153773666
Energy: 1.7613696907398801
Energy: 1.7617691537723985
Energy: 1.5457446453249297
Energy: 1.547622569417498
Energy: 1.4704891545767678
Energy: 1.547622569414963
Energy: 1.546369310305192
Energy: 1.5461774723952826
Energy: 1.6044578436127457
Energy: 1.5461774723952826
Energy: 2.0267926049573863
Energy: 1.6665727483779376
Energy: 1.66685719209513
Energy: 1.6665727483779376
Energy: 1.5845915997804825
Energy: 1.5640259388246556
Energy: 1.5471541844703514
Energy: 1.5640259388259232
Energy: 1.6686585727584449
Energy: 1.6677058423212838
Energy: 1.5270123645302218
Energy: 1.6677058423200162
Energy: 1.565208625609097
Energy: 1.6436333372190508
Energy: 1.6640752362360747
Energy: 1.6436333372190508
Energy: 1.8206756971337341
Energy: 1.5640663773987884
Energy: 1.5506679803143186
Energy: 1.5640663773987884
Energy: 1.7608298476407975
Energy: 1.5467460733617002
Energy: 1.5467054712674895
Energy: 1.5467460733617002
Energy: 1.6639880109920064
Energy: 1.750275308738847
Energy: 1.8242080927049513
Energy: 1.750275308738847
Energy: 1.585161786866496
Energy: 1.7496529106078846
Energy: 1.7595896033700003
Energy: 1.7496529106078846
Energy: 1.5443655293152623
Energy: 1.5489863696143475
Energy: 1.4700482956421086
Energy: 1.5489863696156152
Energy: 1.546839169096979
Energy: 1.54725863871211
Energy: 1.4701121377109365
Energy: 1.5472586387196865
Energy: 1.4680101340559952
Energy: 1.5639203599288454
Energy: 1.667348356644768
Energy: 1.5639203599301128

minimum gb energy = 1.4680101340559952 eV
minimum distance =  2.22949057795387 Angstroms
sigma value = 25


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

Energy: 1.7545629680083992
Energy: 1.7439469703571508
Energy: 1.7444537097957826
Energy: 1.515576652985574
Energy: 1.5453994316360506
Energy: 1.6266787543650123
Energy: 1.5453966330711333
Energy: 1.6266787543650123
Energy: 1.7437749901898443
Energy: 1.7448393180220843
Energy: 2.14650359695435
Energy: 1.7448393180220843
Energy: 1.7013741023841957
Energy: 1.6281070664044068
Energy: 1.5460678032424984
Energy: 1.6281070664028396
Energy: 1.6246209019775917
Energy: 1.632549434885982
Energy: 1.5465416767149907
Energy: 1.6325494348844145
Energy: 1.9066591007298082
Energy: 1.6314366437227485
Energy: 1.5448409841997595
Energy: 1.6314366437290186
Energy: 1.7605011084425202
Energy: 1.6330556325429757
Energy: 1.6289599431596322
Energy: 1.6330556325429757
Energy: 1.4944588199282187
Energy: 1.7295676401755773
Energy: 1.652779972436568
Energy: 1.7295676401755773
Energy: 1.7427651050881758
Energy: 1.742879865809697
Energy: 1.894902994150628
Energy: 1.742879865809697
Energy: 1.5455259758338622
Energy: 1.5025084242862907
Energy: 1.8945863453176082
Energy: 1.5025084242862907
Energy: 2.146131349612869
Energy: 1.7446604335608322
Energy: 1.7471936461639732
Energy: 1.7446604335608322
Energy: 1.6935706051046975
Energy: 1.6269664874570697
Energy: 1.6998203253747466
Energy: 1.6269664874570697
Energy: 1.547936691679708
Energy: 1.501744841218576
Energy: 1.6247686740237148
Energy: 1.5017448412138732
Energy: 1.5473802776578236
Energy: 1.633504514074697
Energy: 1.9081468597953
Energy: 1.633504514074697
Energy: 1.6271639716110655
Energy: 1.631176443129064
Energy: 1.4939761203684139
Energy: 1.6311764431745228
Energy: 1.5449151637006082
Energy: 1.6529818387907056
Energy: 1.494375148871103
Energy: 1.6529818387907056
Energy: 1.4940903422884917
Energy: 1.5028369665478785
Energy: 1.744088132933052
Energy: 1.5028369665478785

minimum gb energy = 1.4939761203684139 eV
minimum distance =  2.30994834247617 Angstroms
sigma value = 17


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

Energy: 2.4267864301887223
Energy: 1.9348790621771963
Energy: 1.934418844910489
Energy: 1.797155017055005
Energy: 1.7311147954970856
Energy: 1.629378047459417
Energy: 1.915837280460181
Energy: 1.6293780474576414
Energy: 1.6609424051416466
Energy: 1.6612429338196248
Energy: 2.2062491893935614
Energy: 1.6612429338187373
Energy: 1.6250492668214738
Energy: 1.6272601128896418
Energy: 1.916592830192351
Energy: 1.6272601128878663
Energy: 1.8263979463790767
Energy: 1.7623946342224432
Energy: 1.6673008610339262
Energy: 1.7623946342215555
Energy: 1.9140505811573423
Energy: 1.7647904833999157
Energy: 1.7164914391708357
Energy: 1.7647904834008032
Energy: 1.9882209032264848
Energy: 1.6604842208284984
Energy: 1.6583151105407583
Energy: 1.6604842208284984
Energy: 2.0418927847072053
Energy: 1.6255410600490408
Energy: 1.6763751828665723
Energy: 1.6255410600490408
Energy: 1.9360355251740258
Energy: 1.9353419911747503
Energy: 2.209706553374142
Energy: 1.9353419911729746
Energy: 1.8836285561663484
Energy: 1.7301040753038248
Energy: 1.9136335343676916
Energy: 1.7301040753038248
Energy: 1.8262409251368537
Energy: 1.5997676736224995
Energy: 1.6170458190403563
Energy: 1.5997676736171729
Energy: 1.8836060479324856
Energy: 1.6001029141478007
Energy: 1.5980446789736922
Energy: 1.600102914150464
Energy: 1.7209124125991953
Energy: 1.5995573864088022
Energy: 1.5977972589583171
Energy: 1.59955738640969
Energy: 1.7212014236749513
Energy: 1.6269407235965894
Energy: 1.6149090679907436
Energy: 1.626940723597477
Energy: 1.9358818541378706
Energy: 1.8837236022546107
Energy: 2.0372363744398854
Energy: 1.8837236022546107
Energy: 1.9365926301345744
Energy: 1.9180694818718198
Energy: 2.0370541743933845
Energy: 1.918069481870932
Energy: 1.8800250134656586
Energy: 1.6247396500065754
Energy: 1.6625311836644443
Energy: 1.6247396500065754
Energy: 1.8794531361921631
Energy: 1.6247395761455306
Energy: 1.6591347437104136
Energy: 1.624739576148194
Energy: 1.7138956747636211
Energy: 1.816502816932389
Energy: 1.732820658652532
Energy: 1.816502816932389
Energy: 1.6646110015874913
Energy: 1.7657458279171983
Energy: 1.716571463001127
Energy: 1.7657458279171983
Energy: 1.6244614314978654
Energy: 1.624871057614144
Energy: 1.89044546546845
Energy: 1.624871057615032
Energy: 1.6606596191764207
Energy: 1.6731415258162574
Energy: 1.9818731508775338
Energy: 1.673141525817145
Energy: 1.9138808021015579
Energy: 1.7292145941000556
Energy: 1.7889542464643051
Energy: 1.7292145941000556
Energy: 2.207341818027699
Energy: 1.9349986623023099
Energy: 1.9359209483330384
Energy: 1.9349986623023099
Energy: 1.5631372898110256
Energy: 1.598674129112252
Energy: 1.8841509719381744
Energy: 1.598674129112252
Energy: 1.5979606023377617
Energy: 1.6000551989317853
Energy: 1.8276069742096273
Energy: 1.6000551989317853
Energy: 1.6162816659170833
Energy: 1.7025094115482022
Energy: 2.047614360634374
Energy: 1.7025094115482022
Energy: 1.5982196599509308
Energy: 1.599669214398576
Energy: 1.9881410946252527
Energy: 1.599669214398576
Energy: 1.7409435447360324
Energy: 1.6287247943117762
Energy: 1.7205267657295638
Energy: 1.6287247943108885
Energy: 2.428388483692626
Energy: 1.9355725395672179
Energy: 1.9341058149022636
Energy: 1.9355725395681058

minimum gb energy = 1.5631372898110256 eV
minimum distance =  2.23574381506645 Angstroms
sigma value = 53


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

Energy: 2.160110099727543
Energy: 1.7753892173503416
Energy: 1.7766212693598404
Energy: 1.4607627461455657
Energy: 1.7662252377443723
Energy: 1.5451980702569479
Energy: 1.7660721624078128
Energy: 1.5451980702569479
Energy: 1.7756976723867428
Energy: 1.7780739785853459
Energy: 1.7904739086973382
Energy: 1.7780739785853459
Energy: 1.7660323996064395
Energy: 1.5467266335815923
Energy: 1.7983024094232714
Energy: 1.5467266335815923
Energy: 1.8012016851657935
Energy: 1.54518047430303
Energy: 1.4291297377935104
Energy: 1.5451804743009858
Energy: 1.762945857630794
Energy: 1.5471714165728312
Energy: 1.4295361668300717
Energy: 1.5471714165728312
Energy: 2.143761361044378
Energy: 1.77511742743487
Energy: 1.7740756011840262
Energy: 1.77511742743487
Energy: 2.1173947860822153
Energy: 1.5470748570476196
Energy: 1.7766546083563366
Energy: 1.5470748570476196
Energy: 1.7772628584763333
Energy: 1.7770886461149065
Energy: 1.7930839627461672
Energy: 1.7770886461128623
Energy: 1.7647631921124558
Energy: 1.5469140059488442
Energy: 1.7664177391917921
Energy: 1.5469140059488442
Energy: 1.798627327417089
Energy: 1.5476171751796919
Energy: 1.4298118104392423
Energy: 1.5476171751796919
Energy: 1.767968938466656
Energy: 1.5452821386670592
Energy: 1.4289489461217286
Energy: 1.5452821386670592
Energy: 2.1387299797678057
Energy: 1.54724935771083
Energy: 1.7766889148191798
Energy: 1.54724935771083

minimum gb energy = 1.4289489461217286 eV
minimum distance =  2.29567716188816 Angstroms
sigma value = 9


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

Energy: 2.083801204636573
Energy: 2.0554798747142993
Energy: 2.0572292911035457
Energy: 1.9374282481330025
Energy: 1.6164225129171355
Energy: 1.5986858254777154
Energy: 2.1124094415277295
Energy: 1.5986858254792282
Energy: 1.597101874549739
Energy: 1.598481093224704
Energy: 1.9439168413877745
Energy: 1.598481093223191
Energy: 1.5978751440491905
Energy: 1.5973361461880293
Energy: 2.152497731461009
Energy: 1.5973361461865163
Energy: 1.600305032057473
Energy: 1.5953253775410237
Energy: 2.1212638981025
Energy: 1.5953253775402674
Energy: 1.7489140235815277
Energy: 1.5969753780646685
Energy: 2.1193770696269176
Energy: 1.5969753780646685
Energy: 2.134829141836435
Energy: 2.041732384580264
Energy: 2.054801429146685
Energy: 2.041732384580264
Energy: 2.108942503151883
Energy: 1.7981921905580298
Energy: 2.0542935012392647
Energy: 1.7981921905587863
Energy: 1.7187784811501832
Energy: 1.76802051110119
Energy: 1.6768060431527148
Energy: 1.768020511102703
Energy: 1.5511825987109888
Energy: 1.6803547430260652
Energy: 2.0051375590795932
Energy: 1.6803547430260652
Energy: 1.75988375664342
Energy: 1.7544777771310052
Energy: 2.0194006412509258
Energy: 1.754477777129492
Energy: 1.787873221963281
Energy: 1.8898150436223928
Energy: 2.0903944780057304
Energy: 1.8898150436223928
Energy: 2.1067812756647983
Energy: 1.7555995995805782
Energy: 1.7452124791769634
Energy: 1.755599599579822
Energy: 2.1056246498190325
Energy: 1.760964463629701
Energy: 1.7932496453106268
Energy: 1.760964463629701
Energy: 2.00912308264353
Energy: 1.679823662100601
Energy: 1.6797842643396679
Energy: 1.679823662100601
Energy: 1.8022201032965242
Energy: 1.7628725981870867
Energy: 1.6791598862869055
Energy: 1.7628725981863305
Energy: 2.0099831988331593
Energy: 1.7912646087431323
Energy: 1.7983384055215366
Energy: 1.7912646087431323
Energy: 2.056103377489151
Energy: 2.0546251146372065
Energy: 2.084807075432331
Energy: 2.0546251146387196
Energy: 2.1112456862943922
Energy: 1.5979540204745084
Energy: 1.7086460963235475
Energy: 1.5979540204737521
Energy: 1.94206997977658
Energy: 1.5978691210562248
Energy: 1.5974549129113247
Energy: 1.5978691210562248
Energy: 2.1077862718402813
Energy: 1.5976976882751357
Energy: 1.5990311894475395
Energy: 1.5976976882751357
Energy: 2.1307563283696203
Energy: 1.595804275389971
Energy: 1.597185524311254
Energy: 1.5958042753892143
Energy: 2.1204839002476725
Energy: 1.5967664362496778
Energy: 1.5957071204216111
Energy: 1.5967664362474085
Energy: 2.0555690947459757
Energy: 2.0334967794466468
Energy: 2.105386271698773
Energy: 2.033496779445134
Energy: 2.043537439203549
Energy: 1.7875976554932402
Energy: 2.100422160240558
Energy: 1.7875976554939967
Energy: 1.680480547871812
Energy: 1.7624327832050095
Energy: 1.7187051792837227
Energy: 1.7624327832367808
Energy: 1.9971250144774033
Energy: 1.6802943261690237
Energy: 1.5502374488092567
Energy: 1.6802943261690237
Energy: 2.021604600577737
Energy: 1.7543859258079673
Energy: 1.7606086428297685
Energy: 1.7543859258079673
Energy: 2.0871082402383827
Energy: 1.8099115670358936
Energy: 1.7876545534427197
Energy: 1.8099115670374064
Energy: 1.7444613969939105
Energy: 1.754746837916457
Energy: 2.1100027512803887
Energy: 1.754746837916457
Energy: 1.7875335661778384
Energy: 1.763125875711259
Energy: 1.9470142446388021
Energy: 1.763125875711259
Energy: 1.754514513900919
Energy: 1.741276958698779
Energy: 2.022491831463626
Energy: 1.741276958698779
Energy: 1.6824147185711376
Energy: 1.7620387520478993
Energy: 1.8067466877828233
Energy: 1.7620387520478993
Energy: 1.7665805974452404
Energy: 1.7886209500821622
Energy: 1.841845768221297
Energy: 1.7886209500829184
Energy: 2.0868341463161646
Energy: 2.051028909120718
Energy: 2.054543524821736
Energy: 2.051028909120718

minimum gb energy = 1.5502374488092567 eV
minimum distance =  2.22765736309071 Angstroms
sigma value = 73


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

Energy: 1.9686505110831678
Energy: 1.8674302722948721
Energy: 1.9425306737957837
Energy: 1.5645458953669145
Energy: 1.6251109318936419
Energy: 1.6263547915873058
Energy: 1.8344431463007704
Energy: 1.6263547915873058
Energy: 1.6249591145630715
Energy: 1.626320235096976
Energy: 1.7597739864880517
Energy: 1.6263202350957757
Energy: 1.6299468387683593
Energy: 1.6278508412821668
Energy: 2.106898732643346
Energy: 1.6278508412821668
Energy: 1.6251104334581794
Energy: 1.624091060441277
Energy: 2.0228383974477717
Energy: 1.624091060441277
Energy: 1.6247346864723455
Energy: 1.625081288667279
Energy: 2.0207874992075996
Energy: 1.625081288667279
Energy: 1.8057355790125296
Energy: 1.9371046203222457
Energy: 1.866974260885939
Energy: 1.9371046203222457
Energy: 1.809165755297087
Energy: 1.8722807832704744
Energy: 1.8802174081776275
Energy: 1.8722807832692743
Energy: 1.801187683363205
Energy: 1.7734424372531326
Energy: 1.7695315591772272
Energy: 1.7734424377473887
Energy: 1.5497908323091925
Energy: 1.7736847917255345
Energy: 1.8278063645603515
Energy: 1.7736847917267347
Energy: 1.9210579604849214
Energy: 1.87308321489259
Energy: 1.8152411779143187
Energy: 1.8730832148914442
Energy: 1.8691040283460396
Energy: 1.9374683078932669
Energy: 1.9756742448197233
Energy: 1.937468307892067
Energy: 1.7622649805840256
Energy: 1.6246431646599124
Energy: 1.6261466812817793
Energy: 1.6246431646599124
Energy: 1.7615796403579462
Energy: 1.6245464893613772
Energy: 1.6242807874602119
Energy: 1.6245464893613772
Energy: 2.133760064648639
Energy: 1.6262812459286786
Energy: 1.6268963039341835
Energy: 1.626281245929879
Energy: 1.9804026703422422
Energy: 1.6254785247956438
Energy: 1.6246828691887807
Energy: 1.6254785247956438
Energy: 2.0255234487127938
Energy: 1.942718366314692
Energy: 1.625012732036398
Energy: 1.942718366314692
Energy: 1.9423838910639135
Energy: 1.8667575084620436
Energy: 2.4101974975307736
Energy: 1.8667575084620436
Energy: 1.8697597410863112
Energy: 1.8728901918184395
Energy: 1.8071089568874739
Energy: 1.8728901918172394
Energy: 1.7672774309760237
Energy: 1.6861440573314315
Energy: 1.773702784884367
Energy: 1.686144057330231
Energy: 1.8849067380743598
Energy: 1.7739510198676114
Energy: 1.5519460404567818
Energy: 1.7739510198904151
Energy: 2.0167937539516365
Energy: 1.8715687327388246
Energy: 1.8770505801567852
Energy: 1.8715687327376245

minimum gb energy = 1.5497908323091925 eV
minimum distance =  2.20077576900417 Angstroms
sigma value = 7


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

Energy: 2.494522121796436
Energy: 1.885525560701413
Energy: 1.8851206011869897
Energy: 1.5848513655085603
Energy: 1.7206652341689932
Energy: 1.7312644659795489
Energy: 1.9969297584866654
Energy: 1.7312644659778516
Energy: 1.6028357549007275
Energy: 1.601958160145098
Energy: 1.726817085754201
Energy: 1.6019581601442494
Energy: 1.5985511414402678
Energy: 1.6035993373836508
Energy: 2.03369926377995
Energy: 1.6035993373811046
Energy: 1.6322785701128297
Energy: 1.6309110260031892
Energy: 1.8738591255382695
Energy: 1.6309110260014916
Energy: 1.6063880613498933
Energy: 1.6345951091510391
Energy: 1.874813422954987
Energy: 1.6345951091493414
Energy: 1.9923834443787973
Energy: 1.6299279919936753
Energy: 1.6026879275579764
Energy: 1.6299279919936753
Energy: 1.985925438501022
Energy: 1.6308807458627779
Energy: 1.6335761078413737
Energy: 1.6308807458636263
Energy: 2.1043062870208047
Energy: 1.61335855040037
Energy: 1.6134273853067642
Energy: 1.6133585504037646
Energy: 1.8752525854189643
Energy: 1.8356068441882316
Energy: 1.6065546533614732
Energy: 1.8356068441865345
Energy: 2.0986258888117786
Energy: 1.7388386646976075
Energy: 1.8454233849872164
Energy: 1.7388386646976075
Energy: 1.888035723594483
Energy: 1.8076995165250758
Energy: 2.1094617531453546
Energy: 1.8076995165030876
Energy: 1.732514094594853
Energy: 1.7319043378148096
Energy: 1.8344670980493911
Energy: 1.7319043378148096
Energy: 1.731644477545274
Energy: 1.6719333094423254
Energy: 1.5771803293595814
Energy: 1.6719333094440225
Energy: 1.800478536465051
Energy: 1.7319209742878443
Energy: 1.579334096385896
Energy: 1.731920974288693
Energy: 2.0480261589961986
Energy: 1.8149599893584698
Energy: 1.8874932582580077
Energy: 1.8149599893567727
Energy: 2.0415808381407294
Energy: 1.7388935299414685
Energy: 1.8453321643858633
Energy: 1.7388935299491066
Energy: 1.6077295381118781
Energy: 1.8352575663401742
Energy: 1.7251171409839088
Energy: 1.8352575663461146
Energy: 1.6100495594380766
Energy: 1.6141099955454312
Energy: 1.8418776372692536
Energy: 1.6141099955445826
Energy: 1.7212837882739374
Energy: 1.635462494858296
Energy: 2.0424300294359514
Energy: 1.6354624948599934
Energy: 1.6024431970792283
Energy: 1.6305538049647528
Energy: 1.880372200950944
Energy: 1.6305538049689958
Energy: 1.9849283358068366
Energy: 1.6365451922352432
Energy: 1.6116781479975646
Energy: 1.6365451922394862
Energy: 1.986062223372473
Energy: 1.6333905652138883
Energy: 1.6326997086465271
Energy: 1.6333905652164344
Energy: 2.003377468684841
Energy: 1.6147519700839517
Energy: 1.6136064638579264
Energy: 1.6147519700839517
Energy: 1.8777491049983153
Energy: 1.6022977555232403
Energy: 1.6004537301263109
Energy: 1.6022977555232403
Energy: 1.880483302187387
Energy: 1.7314880441102036
Energy: 1.6369448744002388
Energy: 1.7314880441110523
Energy: 1.8852282901059787
Energy: 1.8856475987741006
Energy: 2.1803588531726388
Energy: 1.8856475987715542
Energy: 1.7368553578597334
Energy: 1.736911098210094
Energy: 1.824099955293416
Energy: 1.7369110982092455
Energy: 1.7306635806996065
Energy: 1.6749781774457762
Energy: 1.7344478059817865
Energy: 1.6749781774466246
Energy: 1.8379181921391519
Energy: 1.7311578737154703
Energy: 1.577030317545372
Energy: 1.731157873713773
Energy: 2.0414457963006836
Energy: 1.7391379174839658
Energy: 1.8081304643251648
Energy: 1.7391379182830908

minimum gb energy = 1.577030317545372 eV
minimum distance =  2.19263462752305 Angstroms
sigma value = 29


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

Energy: 1.4117820575100424
Energy: 1.8520778357471248
Energy: 1.7553309262816965
Energy: 1.413988141710021
Energy: 1.5687516968147839
Energy: 1.5921507361590586
Energy: 1.5527560989180083
Energy: 1.592150736159354
Energy: 1.7540779597969458
Energy: 1.5425714474224976
Energy: 1.4235247669164874
Energy: 1.5425714474233518
Energy: 1.415573691684384
Energy: 1.4422382429033551
Energy: 1.4445186832615915
Energy: 1.4422382429027965
Energy: 1.44037267117306
Energy: 1.441925981306995
Energy: 1.4162937592186264
Energy: 1.4419259813072576
Energy: 1.4446270794658413
Energy: 1.5393955472985081
Energy: 1.4160975806156393
Energy: 1.5393955472979497
Energy: 1.424043203159402
Energy: 1.5430152884154549
Energy: 1.7547009987655529
Energy: 1.5430152884143054
Energy: 1.5546561925425462
Energy: 1.4423392038057012
Energy: 1.4155767627917746
Energy: 1.4423392038065554
Energy: 1.4164560952727452
Energy: 1.4416642109268039
Energy: 1.4426818923040146
Energy: 1.4416642109262456

minimum gb energy = 1.4117820575100424 eV
minimum distance =  2.26641348348736 Angstroms
sigma value = 5


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

Energy: 1.9314376063778351
Energy: 1.8288552680912282
Energy: 1.830928957118805
Energy: 1.4675005452398493
Energy: 1.8903771978256165
Energy: 1.4776186565686125
Energy: 1.7387028778038092
Energy: 1.4776186565702158
Energy: 1.7386640661170283
Energy: 1.5885726011250116
Energy: 1.7354431339144296
Energy: 1.588572601125813
Energy: 1.4960209681447885
Energy: 1.4762083634067875
Energy: 1.8856116787267818
Energy: 1.476208363407589
Energy: 1.743129187462395
Energy: 1.60391420100393
Energy: 1.7293454550434386
Energy: 1.6039142010047316
Energy: 1.5579815883661507
Energy: 1.4955634313810484
Energy: 1.7309915033942582
Energy: 1.4955634313818498
Energy: 1.4769745111253618
Energy: 1.4756662105792533
Energy: 1.8839511532662139
Energy: 1.4756662105800549
Energy: 1.4783279553812025
Energy: 1.4785679878981781
Energy: 1.9409591648307456
Energy: 1.4785679878997815
Energy: 1.8190467509278605
Energy: 1.5538202297068062
Energy: 1.9589302281722114
Energy: 1.5538202297068062
Energy: 1.71025746391799
Energy: 1.4597492141166633
Energy: 1.459370366790086
Energy: 1.4597492141166633
Energy: 1.6863131283537522
Energy: 1.4587120600132126
Energy: 1.4587935133153043
Energy: 1.4587120600124108
Energy: 1.9569794014996613
Energy: 1.466563751907951
Energy: 1.4576045746264474
Energy: 1.466563751907951
Energy: 1.9625569903029079
Energy: 1.4641335000730824
Energy: 1.6507334658798654
Energy: 1.4641335000730824
Energy: 1.8175357307234885
Energy: 1.5602031654793695
Energy: 1.7303815004168952
Energy: 1.5602031654793695
Energy: 1.4780901858437068
Energy: 1.4771395835697938
Energy: 1.732202102026099
Energy: 1.4771395835689922
Energy: 1.4780352516947957
Energy: 1.476872687090688
Energy: 1.738842421704774
Energy: 1.476872687089085
Energy: 1.8288553571374362
Energy: 1.4768781321369466
Energy: 1.4953999408480185
Energy: 1.476878132136145
Energy: 1.806434318562101
Energy: 1.479009381594278
Energy: 1.8222966190715841
Energy: 1.479009381594278
Energy: 1.7176040160861348
Energy: 1.5904440629614236
Energy: 1.7388415209225203
Energy: 1.5904440629590186
Energy: 1.882644375540613
Energy: 1.4759720610899036
Energy: 1.4915316196640838
Energy: 1.4759720610907054
Energy: 1.732707310666004
Energy: 1.4836111143824675
Energy: 1.7428624036294893
Energy: 1.4836111143824675
Energy: 1.729110586959257
Energy: 1.5579161224876583
Energy: 1.5601010185377548
Energy: 1.5579161224876583
Energy: 1.8884953550436532
Energy: 1.4763638766434828
Energy: 1.4783524722198524
Energy: 1.4763638766434828
Energy: 1.9634407746194757
Energy: 1.4772658113234294
Energy: 1.4780795712994916
Energy: 1.4772658113234294
Energy: 1.9605615980895639
Energy: 1.5534480867863747
Energy: 1.8165395509225826
Energy: 1.5534480867855731
Energy: 1.4641292127680376
Energy: 1.4609480975394054
Energy: 1.710071952602357
Energy: 1.4609480975394054
Energy: 1.4634992266832718
Energy: 1.4583726792842868
Energy: 1.6833975385068534
Energy: 1.4583726792834852
Energy: 1.5001854332534847
Energy: 1.4600185464160076
Energy: 1.4916468071709104
Energy: 1.4600185464160076
Energy: 1.4623222768010191
Energy: 1.4581133816048082
Energy: 1.937707927452337
Energy: 1.4581133816040066
Energy: 1.7296531118612015
Energy: 1.5534068463508486
Energy: 1.8159236944575088
Energy: 1.5534068463524517
Energy: 1.7292141081116623
Energy: 1.477216678862408
Energy: 1.4803786213347108
Energy: 1.4772166788608045
Energy: 1.7381970612297184
Energy: 1.4772282519482187
Energy: 1.4793584291672188
Energy: 1.477228251949822
Energy: 1.4963665641263755
Energy: 1.47597858898851
Energy: 1.560388216294284
Energy: 1.4759785889877084

minimum gb energy = 1.4576045746264474 eV
minimum distance =  2.2241550705832 Angstroms
sigma value = 1


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

Energy: 2.0531628789917744
Energy: 1.79875848572632
Energy: 1.7990718882119288
Energy: 1.4264742612191774
Energy: 1.6955192538284842
Energy: 1.425817676504279
Energy: 1.7617999813583114
Energy: 1.4258176765053872
Energy: 1.763547787984621
Energy: 1.5718024506128563
Energy: 1.7583029797503527
Energy: 1.571802450613965
Energy: 1.4411299113366813
Energy: 1.4228010039814163
Energy: 1.76295176180707
Energy: 1.4228010039791994
Energy: 1.7815526767868122
Energy: 1.5131025308237736
Energy: 1.7568599077771265
Energy: 1.5131025308226653
Energy: 1.5142332785491215
Energy: 1.4412445043435573
Energy: 1.75790217650141
Energy: 1.4412445043435573
Energy: 1.4203611175302586
Energy: 1.422829309275574
Energy: 1.9893836463472359
Energy: 1.422829309275574
Energy: 1.4260293554023695
Energy: 1.4281348790988746
Energy: 2.0631938430749304
Energy: 1.4281348790999329
Energy: 1.7182396492436631
Energy: 1.5293821117289148
Energy: 2.0519617968928965
Energy: 1.5293821117289148
Energy: 1.746239874760367
Energy: 1.4254939387955803
Energy: 1.4256621614696021
Energy: 1.4254939387966885
Energy: 1.7152836895463701
Energy: 1.4231312989953955
Energy: 1.4211255323833274
Energy: 1.4231312989976124
Energy: 2.0489929610313844
Energy: 1.4263778591791736
Energy: 1.4234657550146783
Energy: 1.426377859180282
Energy: 2.077339514318039
Energy: 1.4244564771960924
Energy: 1.4401788038826642
Energy: 1.4244564771949837
Energy: 1.9209409201091985
Energy: 1.4233998588027972
Energy: 1.7570280558015965
Energy: 1.423399858801689
Energy: 1.4398456567789613
Energy: 1.5700849783919206
Energy: 1.7611798023088225
Energy: 1.5700849783908124
Energy: 1.4400431085210141
Energy: 1.4246348081421791
Energy: 1.8122193646232305
Energy: 1.4246348081432876
Energy: 1.5603188418524379
Energy: 1.5170902948905327
Energy: 1.7511190556823086
Energy: 1.5170902948905327
Energy: 1.4400781432119838
Energy: 1.4250575406557824
Energy: 1.754453856826845
Energy: 1.4250575406546744
Energy: 1.4213423603960573
Energy: 1.425172072633524
Energy: 2.0518140306436465
Energy: 1.4251720726357413
Energy: 1.4250697525397846
Energy: 1.517801126852412
Energy: 2.0604102673694378
Energy: 1.5178011268513034
Energy: 1.7546040816362622
Energy: 1.5319452434568948
Energy: 1.7155883929553926
Energy: 1.5319452434557863
Energy: 1.753729686467679
Energy: 1.425505256298047
Energy: 1.4256584949975035
Energy: 1.425505256298047
Energy: 1.9207579529003023
Energy: 1.4235718721159631
Energy: 1.4234576790923432
Energy: 1.4235718721159631
Energy: 2.075839066179453
Energy: 1.4243907608901838
Energy: 1.4228522211526933
Energy: 1.4243907608912922

minimum gb energy = 1.4203611175302586 eV
minimum distance =  2.23425550789921 Angstroms
sigma value = 17


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

Energy: 2.181640927671931
Energy: 1.7980598041568057
Energy: 1.798313607425182
Energy: 1.4085648056418834
Energy: 1.4078207461431744
Energy: 1.4088688108835523
Energy: 1.6368568868974593
Energy: 1.408868810884237
Energy: 1.830674406980179
Energy: 1.7122215440973805
Energy: 1.627592409493697
Energy: 1.7122215440966952
Energy: 1.7976250838476708
Energy: 1.4940481860966215
Energy: 1.7976081516924725
Energy: 1.494048186094566
Energy: 1.5724107546857278
Energy: 1.4246330825573341
Energy: 1.9980409606318739
Energy: 1.4246330825587044
Energy: 1.4314301483799616
Energy: 1.4225449540222275
Energy: 1.9801696283601267
Energy: 1.4225449540229125
Energy: 1.3944397988568824
Energy: 1.3928281031040333
Energy: 1.4926476581438528
Energy: 1.3928281031026628
Energy: 1.401474287141538
Energy: 1.3955556746491826
Energy: 2.189462587260573
Energy: 1.3955556746478126
Energy: 1.9770512071238964
Energy: 1.3956810915035214
Energy: 1.8183127106958894
Energy: 1.3956810915021514
Energy: 1.6040422719744072
Energy: 1.4936361767941908
Energy: 1.6351351726560468
Energy: 1.4936361767941908
Energy: 2.079056337547703
Energy: 1.4070113309275412
Energy: 1.4168080466728161
Energy: 1.4070113309268562
Energy: 1.9765899563868357
Energy: 1.4108736094435752
Energy: 1.6404046167570607
Energy: 1.4108736094408345
Energy: 1.988514882013937
Energy: 1.4696244499356799
Energy: 1.4777824402361985
Energy: 1.4696244499349949
Energy: 1.8675863969882978
Energy: 1.4069318380524805
Energy: 1.4108225274913209
Energy: 1.406931838051795
Energy: 1.8243430346704816
Energy: 1.4094318429249477
Energy: 1.4158463230537017
Energy: 1.4094318429243249
Energy: 2.1415268194209722
Energy: 1.474189157297512
Energy: 1.8108323982076082
Energy: 1.474189157296142
Energy: 1.4080789294865759
Energy: 1.5090911802153248
Energy: 1.9887767100755407
Energy: 1.5090911802118994
Energy: 1.4121732443545103
Energy: 1.4075753304688443
Energy: 2.080790964672123
Energy: 1.4075753304702145
Energy: 1.4773320318030023
Energy: 1.4095504489971649
Energy: 1.8177385203367198
Energy: 1.4095504489971649
Energy: 1.4869549159417796
Energy: 1.6259601054594146
Energy: 2.183056171692103
Energy: 1.6259601052703911
Energy: 1.632253803056452
Energy: 1.4093019989593627
Energy: 1.7262701531684435
Energy: 1.4093019989593627
Energy: 1.6304933451272718
Energy: 1.7099077442556938
Energy: 1.8294489922853894
Energy: 1.7099077442563788
Energy: 1.5814885861919958
Energy: 1.3925661985243503
Energy: 1.8272568334279033
Energy: 1.3925661985236653
Energy: 1.9846995329267767
Energy: 1.3942350951008302
Energy: 1.6344572115282134
Energy: 1.394235095101515
Energy: 1.976719865609913
Energy: 1.398155983200733
Energy: 1.4251672918170448
Energy: 1.3981559832014183
Energy: 1.7450200229008137
Energy: 1.3936497880160974
Energy: 1.397527598241709
Energy: 1.3936497880160974
Energy: 2.183597670712393
Energy: 1.3966842774196158
Energy: 1.4056651927607884
Energy: 1.396684277418308
Energy: 2.021959769612164
Energy: 1.3948395609377182
Energy: 1.9774278408504216
Energy: 1.3948395609377182
Energy: 1.6301155947310426
Energy: 1.70887724153711
Energy: 1.6077434118020433
Energy: 1.7088772415377949
Energy: 1.419034909494002
Energy: 1.4063007271321832
Energy: 2.082738161803435
Energy: 1.406300727132868
Energy: 1.6358197976655497
Energy: 1.5030663848567423
Energy: 1.979666685517616
Energy: 1.5030663848553723
Energy: 1.4723526633299768
Energy: 1.4683060480239443
Energy: 1.9817814827325921
Energy: 1.4683060480246295
Energy: 1.4073452604040275
Energy: 1.4060898859016988
Energy: 1.8638238107889666
Energy: 1.406089885902384
Energy: 1.4212138105161793
Energy: 1.4100191235309263
Energy: 1.7973732719696731
Energy: 1.4100191235302408
Energy: 2.0344621281952557
Energy: 1.4719029350833168
Energy: 2.135575342264443
Energy: 1.4719029350833168
Energy: 1.9876264825647347
Energy: 1.4117395982908523
Energy: 1.408685355425577
Energy: 1.4117395982908523
Energy: 2.0813922976863743
Energy: 1.406724914941667
Energy: 1.4079604247661166
Energy: 1.4067249149430372
Energy: 1.82352320893677
Energy: 1.4110855136535307
Energy: 1.4992506290609326
Energy: 1.411085513654216

minimum gb energy = 1.3925661985236653 eV
minimum distance =  2.23111872155891 Angstroms
sigma value = 89


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

Energy: 2.296785765662413
Energy: 1.2895040830489939
Energy: 1.2893815975823832
Energy: 1.354564981729722
Energy: 1.7453083369414233
Energy: 1.2892738513054662
Energy: 1.7203680721441814
Energy: 1.2892738513054662
Energy: 1.2778100807572952
Energy: 1.4257264136771737
Energy: 1.738872016938655
Energy: 1.4257264136753813
Energy: 1.279280525868276
Energy: 1.4277124757969624
Energy: 1.4034736061142963
Energy: 1.4277124757969624
Energy: 1.3277012255836131
Energy: 1.2897261804877742
Energy: 1.7317019143066184
Energy: 1.2897261804859814
Energy: 1.2894737311700284
Energy: 1.2898745728543193
Energy: 1.7295862003661167
Energy: 1.2898745728543193
Energy: 1.2873967484907969
Energy: 1.288204154771558
Energy: 1.405308672808138
Energy: 1.288204154771558
Energy: 1.290368282905571
Energy: 1.2904961663729262
Energy: 2.1407881040964076
Energy: 1.2904961663711338
Energy: 1.7202643795912627
Energy: 1.4268180463098856
Energy: 2.1421727420089587
Energy: 1.4268180463098856
Energy: 1.794693039998628
Energy: 1.4287216476095965
Energy: 1.7453723446308544
Energy: 1.4287216476095965
Energy: 1.4041519606130044
Energy: 1.4260801032868893
Energy: 1.2768814969783586
Energy: 1.4260801032868893
Energy: 1.7293411814082051
Energy: 1.2907196353537451
Energy: 1.405346449408276
Energy: 1.2907196353537451
Energy: 1.7313704274299835
Energy: 1.2911919493315198
Energy: 1.290490730159234
Energy: 1.2911919493333122
Energy: 1.404038762498194
Energy: 1.2873276885431157
Energy: 1.285308388108372
Energy: 1.2873276885431157
Energy: 2.1416452021651162
Energy: 1.2903140524185224
Energy: 1.290385905764804
Energy: 1.290314052420315

minimum gb energy = 1.2768814969783586 eV
minimum distance =  2.25266236710465 Angstroms
sigma value = 13


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

Energy: 2.046418343496397
Energy: 1.693835292289251
Energy: 1.6990474734966017
Energy: 1.2727883129108075
Energy: 1.844276759356968
Energy: 1.2415763116566099
Energy: 1.47842283412083
Energy: 1.2415763116566099
Energy: 1.9846297564890756
Energy: 1.2417706546286453
Energy: 1.4393036646448518
Energy: 1.2417706546308995
Energy: 1.624633844681806
Energy: 1.3386414033083804
Energy: 1.505860386024666
Energy: 1.3386414033091318
Energy: 1.837149667374855
Energy: 1.3338409279163337
Energy: 1.8733034459824243
Energy: 1.3338409279207737
Energy: 1.4741301259869601
Energy: 1.2429434208486472
Energy: 1.8719801810940846
Energy: 1.2429434208471444
Energy: 1.4742919861575492
Energy: 1.242557061854991
Energy: 1.844819832721929
Energy: 1.2425570618579962
Energy: 1.3167212531932708
Energy: 1.2808451234584253
Energy: 2.1569143467597742
Energy: 1.2808451234591764
Energy: 1.2523553834303507
Energy: 1.2439667466153084
Energy: 2.122701885060962
Energy: 1.243966746612303
Energy: 1.246811993323496
Energy: 1.2415659263247403
Energy: 2.1212744342680345
Energy: 1.2415659263269943
Energy: 1.2420965363583354
Energy: 1.2490867366156524
Energy: 2.047669608356398
Energy: 1.2490867366171547
Energy: 1.8638366078660276
Energy: 1.2415355422690755
Energy: 1.838810051201771
Energy: 1.2415355422698269
Energy: 1.8766122638842138
Energy: 1.322954887201326
Energy: 1.8650121436801521
Energy: 1.3229548872005745
Energy: 1.8282363302417406
Energy: 1.2402679531936236
Energy: 1.6267337756914286
Energy: 1.2402679531951262
Energy: 2.081799020736271
Energy: 1.2431329766407402
Energy: 1.710821163949843
Energy: 1.2431329766399886
Energy: 2.0906299562204533
Energy: 1.2442170527202467
Energy: 1.2590142872034589
Energy: 1.2442170527232521
Energy: 1.8477309574342153
Energy: 1.241671652702762
Energy: 1.2424992565408433
Energy: 1.241671652700508
Energy: 2.049818834370436
Energy: 1.2435602366066612
Energy: 1.2525271627678887
Energy: 1.2435602366051584
Energy: 2.220845099468952
Energy: 1.2437597572945345
Energy: 1.5113499992991193
Energy: 1.2437597572982912
Energy: 2.121475381994991
Energy: 1.2401022603826695
Energy: 1.434351713210868
Energy: 1.2401022603826695
Energy: 1.621085955117779
Energy: 1.2468079610244562
Energy: 1.5056212016609627
Energy: 1.246807961025959
Energy: 1.8333311638043754
Energy: 1.3288169862142412
Energy: 1.8706584588581674
Energy: 1.3288169862134898
Energy: 1.4823703627659273
Energy: 1.2428705002132339
Energy: 1.8410171490620386
Energy: 1.2428705002132339
Energy: 1.2437580736168075
Energy: 1.240357765511383
Energy: 1.8375934836146957
Energy: 1.240357765508378
Energy: 1.4631528683811856
Energy: 1.2790801319777167
Energy: 2.15285715999277
Energy: 1.2790801319814733
Energy: 1.2827233653087962
Energy: 1.2783765361977235
Energy: 2.1442664075838125
Energy: 1.2783765361969721
Energy: 1.2410870972700958
Energy: 1.2402948368256401
Energy: 1.8402674660593332
Energy: 1.2402948368256401
Energy: 1.2414131969849234
Energy: 1.2455531582095105
Energy: 2.0519081567460393
Energy: 1.2455531582087591
Energy: 1.7884211915812993
Energy: 1.242154150729829
Energy: 2.2634270748090777
Energy: 1.2421541507335858
Energy: 1.4331705417555267
Energy: 1.3284223629382859
Energy: 1.8427979638202425
Energy: 1.3284223629390373
Energy: 1.8475664717019644
Energy: 1.3349651191116536
Energy: 1.622965227679281
Energy: 1.3349651191078968
Energy: 2.0897109113377916
Energy: 1.2427225631991372
Energy: 1.8441277019612814
Energy: 1.2427225632013912
Energy: 2.0816497117566017
Energy: 1.2441260605961049
Energy: 1.2571311101183469
Energy: 1.2441260605976077
Energy: 1.851839846988091
Energy: 1.2402323490892917
Energy: 1.2411992418131006
Energy: 1.240232349090043
Energy: 2.224621125492418
Energy: 1.241711913866781
Energy: 1.2498336734212057
Energy: 1.241711913866781

minimum gb energy = 1.2401022603826695 eV
minimum distance =  2.24654972826714 Angstroms
sigma value = 37


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

Energy: 1.7966491761775698
Energy: 1.1420557360604489
Energy: 1.1436570193063325
Energy: 1.2259033121627991
Energy: 1.7769491082941566
Energy: 1.1408235667966153
Energy: 1.4694755589938857
Energy: 1.1408235667979079
Energy: 1.7607090400838281
Energy: 1.139118753660503
Energy: 1.4913076638146332
Energy: 1.139118753660503
Energy: 1.8054928684103129
Energy: 1.2836112626950607
Energy: 1.4708030847856304
Energy: 1.2836112626950607
Energy: 1.7747122206848533
Energy: 1.2846332194879375
Energy: 1.4656144204014099
Energy: 1.2846332194879375
Energy: 1.3603937713234
Energy: 1.140381902064726
Energy: 1.776449237300429
Energy: 1.140381902064726
Energy: 1.1334491468344245
Energy: 1.1391568889594033
Energy: 1.7753496041706902
Energy: 1.1391568889594033
Energy: 1.20068721402829
Energy: 1.1401318993523342
Energy: 2.060992539933189
Energy: 1.1401318993523342
Energy: 1.1400030545659185
Energy: 1.1439221399195223
Energy: 2.0143416387281077
Energy: 1.1439221399195223
Energy: 1.1407983566528779
Energy: 1.140909963887271
Energy: 1.7607513901050427
Energy: 1.140909963887271
Energy: 1.1434556858393508
Energy: 1.2259033121615064
Energy: 1.7966491761775698
Energy: 1.1420557360617416
Energy: 1.4694755589938857
Energy: 1.1408235667966153
Energy: 1.7769491082941566
Energy: 1.1408235667979079
Energy: 1.4913076638146332
Energy: 1.139118753660503
Energy: 1.7607090400825354
Energy: 1.139118753660503
Energy: 1.4708030847843376
Energy: 1.2836112626963534
Energy: 1.8054928684103129
Energy: 1.2836112626963534
Energy: 1.4656144204014099
Energy: 1.2846332194879375
Energy: 1.7747122206835904
Energy: 1.2846332194879375
Energy: 1.7764492373055996
Energy: 1.1403819020660186
Energy: 1.1333599012919733
Energy: 1.1403819020660186
Energy: 1.7753496041706902
Energy: 1.1391568889594033
Energy: 1.1334491468344245
Energy: 1.1391568889581105
Energy: 2.0609925399318962
Energy: 1.1401318993523342
Energy: 1.20068721402829
Energy: 1.1401318993510416
Energy: 2.014341638734571
Energy: 1.1439221399195223
Energy: 1.140003054567211
Energy: 1.1439221399195223
Energy: 1.7607513901205543
Energy: 1.140909963887271
Energy: 1.1407983566528779
Energy: 1.140909963887271

minimum gb energy = 1.1333599012919733 eV
minimum distance =  2.25225264147619 Angstroms
sigma value = 25


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

Energy: 2.12714556282016
Energy: 1.0255268207177437
Energy: 1.0257095753867744
Energy: 1.0947893733843623
Energy: 1.9558633977031241
Energy: 1.0222650204889332
Energy: 1.2821899776747656
Energy: 1.0222650204889332
Energy: 1.986111895917855
Energy: 1.0212057134055847
Energy: 1.272175795808541
Energy: 1.021205713404575
Energy: 1.5225200857464778
Energy: 1.0251401581418216
Energy: 1.282634014649207
Energy: 1.0251401581408122
Energy: 1.9525737274577257
Energy: 1.133298471868858
Energy: 1.7602588102720935
Energy: 1.1332984718668393
Energy: 1.5330869539871135
Energy: 1.1324909708454989
Energy: 1.761000855136909
Energy: 1.1324909708465083
Energy: 1.529802864380358
Energy: 1.133921591889825
Energy: 1.7440786038802534
Energy: 1.1339215918888157
Energy: 1.2818307121334143
Energy: 1.0252288494838258
Energy: 1.7687159925791602
Energy: 1.025228849484835
Energy: 1.281485554398623
Energy: 1.021195847203929
Energy: 2.173436528717125
Energy: 1.0211958472049385
Energy: 1.2823067166744553
Energy: 1.0221436201787721
Energy: 1.9724398415472468
Energy: 1.0221436201787721
Energy: 1.0209415124707322
Energy: 1.021627893394879
Energy: 1.8230245319410823
Energy: 1.0216278933938698
Energy: 1.0288274042001702
Energy: 1.0222645009024967
Energy: 1.9574191470126399
Energy: 1.0222645009024967
Energy: 1.0216890950351867
Energy: 1.0249480185061883
Energy: 1.9946285146907765
Energy: 1.0249480185061883
Energy: 1.082528761538839
Energy: 1.02977062017277
Energy: 1.9407510944629223
Energy: 1.0297706201737795
Energy: 1.2788340150269328
Energy: 1.0208888744590694
Energy: 1.952024715687842
Energy: 1.0208888744590694
Energy: 1.2723965592559592
Energy: 1.0226751524581317
Energy: 1.9899883774666383
Energy: 1.0226751524581317
Energy: 1.740271833132311
Energy: 1.0226893302672124
Energy: 1.9826684182345298
Energy: 1.022689330266203
Energy: 1.2718406104544682
Energy: 1.133858617327864
Energy: 1.7408959250356444
Energy: 1.1338586173268543
Energy: 1.75797019455067
Energy: 1.1339902999028633
Energy: 1.5219691936287918
Energy: 1.1339902999028633
Energy: 1.9742609376910019
Energy: 1.1324109641985558
Energy: 1.5323596705444553
Energy: 1.1324109641975464
Energy: 1.8244814607907984
Energy: 1.0270874576425164
Energy: 1.282609297277113
Energy: 1.0270874576404976
Energy: 2.172152247461702
Energy: 1.0204203431615264
Energy: 1.0230388916653765
Energy: 1.0204203431615264
Energy: 2.1699308824694166
Energy: 1.0246502010451726
Energy: 1.2857985692702607
Energy: 1.0246502010451726
Energy: 1.8264299163955928
Energy: 1.0228759137398595
Energy: 1.0214933981200014
Energy: 1.0228759137398595
Energy: 1.952130817177707
Energy: 1.0208288531872376
Energy: 1.0221212393888628
Energy: 1.0208288531872376
Energy: 1.9449237402030248
Energy: 1.023261388622484
Energy: 1.0223845317708304
Energy: 1.0232613886234934

minimum gb energy = 1.0204203431615264 eV
minimum distance =  2.24925801379485 Angstroms
sigma value = 41


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

Energy: 2.4637473366026277
Energy: 0.9415506719782216
Energy: 0.943076468699646
Energy: 1.003893485301599
Energy: 2.0711977862287396
Energy: 0.9389323197819656
Energy: 1.1513871575970114
Energy: 0.938932319776173
Energy: 2.166505658311808
Energy: 0.9374873972489548
Energy: 1.1475646281754655
Energy: 0.9374873972481271
Energy: 1.8024931931592438
Energy: 0.9430249259036658
Energy: 1.5432579498282197
Energy: 0.9430249259028383
Energy: 2.0598864736364497
Energy: 0.93580545505524
Energy: 1.5821108292057062
Energy: 0.9358054550535849
Energy: 1.836079424332244
Energy: 1.3018642780900835
Energy: 1.5634523638878708
Energy: 1.3018642780900835
Energy: 1.8119544026414862
Energy: 1.0329175950678038
Energy: 1.89059604243412
Energy: 1.0329175950719411
Energy: 1.73157105211256
Energy: 1.2962477125179206
Energy: 1.700593186414082
Energy: 1.2962477125179206
Energy: 1.46112412275939
Energy: 0.935154336655299
Energy: 1.9231312614440095
Energy: 0.935154336655299
Energy: 1.446779562546635
Energy: 0.9366794759717025
Energy: 2.0037680739817936
Energy: 0.93667947597253
Energy: 1.1579269262751943
Energy: 0.9384098778478934
Energy: 2.202037920245577
Energy: 0.9384098778478934
Energy: 1.156547980863767
Energy: 0.9347024748935907
Energy: 2.2395642471836608
Energy: 0.9347024748944183
Energy: 1.1692264277091586
Energy: 0.9375750828165514
Energy: 2.3188293245989167
Energy: 0.937575082819034
Energy: 1.0308279174606818
Energy: 0.9342345741572589
Energy: 1.9651766285398171
Energy: 0.9342345741580863
Energy: 1.0364740845521845
Energy: 0.9354201317904984
Energy: 2.0485480217827785
Energy: 0.9354201317896709
Energy: 1.0356479235123035
Energy: 0.9314131802056705
Energy: 2.086541152961581
Energy: 0.931413180206498
Energy: 1.2466080534065649
Energy: 0.9343101231044527
Energy: 2.0462419924489264
Energy: 0.9343101231044527
Energy: 1.2335279997747202
Energy: 0.9275365775326603
Energy: 2.05057682471903
Energy: 0.9275365775318326
Energy: 1.233232071358495
Energy: 0.9395377744093195
Energy: 1.8208456411449554
Energy: 0.9395377744109745
Energy: 1.556046544488247
Energy: 0.9374263706319016
Energy: 1.8152471432472306
Energy: 0.9374263706310741
Energy: 1.60088977479294
Energy: 0.9367068089026467
Energy: 1.8974016082185887
Energy: 0.9367068089059567
Energy: 1.5581259769601794
Energy: 0.9374111988159936
Energy: 1.8118226459514508
Energy: 0.9374111988176485
Energy: 1.909759880090157
Energy: 1.0270366207930555
Energy: 1.8309828969790742
Energy: 1.027036620793883
Energy: 1.656108296381691
Energy: 1.0292482843177693
Energy: 1.5466085697076635
Energy: 1.0292482843161141
Energy: 1.918161677308063
Energy: 1.2896416740834242
Energy: 1.4528952459260414
Energy: 1.2896416740850791
Energy: 1.9950298947399894
Energy: 0.9379609143640194
Energy: 1.5423537289645008
Energy: 0.9379609143631918
Energy: 1.9741721640946213
Energy: 0.9407972779496655
Energy: 1.1509666047108167
Energy: 0.940797277948838
Energy: 2.0595948908260526
Energy: 0.9365314416616304
Energy: 1.140066707725017
Energy: 0.9365314416632855
Energy: 1.9685910691288855
Energy: 0.9448727298780246
Energy: 1.1520934604794473
Energy: 0.9448727298805071
Energy: 1.971747547983406
Energy: 0.9431272645930648
Energy: 0.9365773922747749
Energy: 0.9431272645938924
Energy: 2.05992389657427
Energy: 0.9367147638713028
Energy: 0.93832340062773
Energy: 0.9367147638696477
Energy: 2.123436695254182
Energy: 0.9531836912711933
Energy: 0.9426462789195597
Energy: 0.9531836912695384

minimum gb energy = 0.9275365775318326 eV
minimum distance =  2.24494076139663 Angstroms
sigma value = 15


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

Energy: 2.0232110051439185
Energy: 0.8629587761783368
Energy: 0.8613667002057463
Energy: 0.9163682695004564
Energy: 2.1404134526095357
Energy: 0.8589882548601867
Energy: 1.0342011108597162
Energy: 0.8589882548594856
Energy: 2.1509746256786544
Energy: 0.8569233048640517
Energy: 1.0333353744041704
Energy: 0.8569233048647527
Energy: 1.8814891106319651
Energy: 0.861866579470587
Energy: 1.3930353175680454
Energy: 0.8618665794691849
Energy: 1.9888543469977695
Energy: 0.8536814205499178
Energy: 1.3878089803690399
Energy: 0.8536814205513198
Energy: 1.862572319854213
Energy: 0.861154391733178
Energy: 1.3759796445008599
Energy: 0.861154391733879
Energy: 1.5496767244764182
Energy: 0.8559409652983935
Energy: 1.6929495340335774
Energy: 0.8559409653004965
Energy: 1.7025769057671618
Energy: 0.940081730094079
Energy: 1.3975334200307117
Energy: 0.9400817300975841
Energy: 1.5669824422313139
Energy: 0.9322431772409733
Energy: 1.7106656920780214
Energy: 0.9322431772437774
Energy: 1.5647349217920634
Energy: 0.9331612662469978
Energy: 2.000807607630096
Energy: 0.9331612662491008
Energy: 1.379494018374508
Energy: 0.8568664940581393
Energy: 1.8121775719525894
Energy: 0.8568664940567372
Energy: 1.1973993590666039
Energy: 0.8544194712036953
Energy: 2.000978698304298
Energy: 0.8544194712029942
Energy: 1.3889933916459651
Energy: 0.8555745761549266
Energy: 2.0044238475886567
Energy: 0.8555745761542255
Energy: 1.0339770122858656
Energy: 0.8624192999966471
Energy: 1.7001142239772133
Energy: 0.862419299994544
Energy: 1.0266738725638251
Energy: 0.8546114217755932
Energy: 2.263424739286144
Energy: 0.8546114217748922
Energy: 1.0485157450596185
Energy: 0.8600547182717758
Energy: 2.0092132810089454
Energy: 0.8600547182724768
Energy: 0.8558328984832959
Energy: 0.8628813893942985
Energy: 1.9843192229231665
Energy: 0.8628813893935975
Energy: 0.85522570463589
Energy: 0.856219143906669
Energy: 2.1176409492489463
Energy: 0.856219143906669
Energy: 0.8560507652485596
Energy: 0.8598472391183039
Energy: 1.8653008062495273
Energy: 0.859847239119706
Energy: 1.0333609680255824
Energy: 0.8583805704528528
Energy: 2.120961476330205
Energy: 0.8583805704528528
Energy: 1.022881843506199
Energy: 0.8550979394967522
Energy: 2.1192534847087092
Energy: 0.8550979394967522
Energy: 1.0227817259317702
Energy: 0.8609853444963971
Energy: 1.8733706003052233
Energy: 0.860985344495696
Energy: 1.3772496449122176
Energy: 0.8557857228339073
Energy: 1.857961537832886
Energy: 0.8557857228367115
Energy: 1.383426224262523
Energy: 0.8583814775741212
Energy: 1.9772748003742942
Energy: 0.8583814775769252
Energy: 1.3934543824008228
Energy: 0.862489687706317
Energy: 1.5984970237462812
Energy: 0.8624896877091212
Energy: 1.7159770481364347
Energy: 0.932790138859516
Energy: 1.988874192855222
Energy: 0.932790138858114
Energy: 1.3732718879794958
Energy: 0.9329550725695417
Energy: 1.7013236931264615
Energy: 0.9329550725702426
Energy: 1.7025468178783265
Energy: 0.9339418818024939
Energy: 1.6001960860905966
Energy: 0.933941881803896
Energy: 1.7202036965695575
Energy: 0.8617910385853904
Energy: 1.693460458480686
Energy: 0.8617910385839883
Energy: 1.713450273283481
Energy: 0.8551969752021067
Energy: 1.3770063474326486
Energy: 0.8551969752042096
Energy: 1.9880947737823977
Energy: 0.8535119590684422
Energy: 1.1975529479772218
Energy: 0.8535119590684422
Energy: 1.7016749051893554
Energy: 0.8610229592688984
Energy: 1.3905871579643405
Energy: 0.8610229592674963
Energy: 2.005421356849929
Energy: 0.8576140716915642
Energy: 1.0348440139637418
Energy: 0.8576140716929662
Energy: 2.1225166880497657
Energy: 0.8583040770980933
Energy: 1.0378235578254758
Energy: 0.8583040770980933
Energy: 2.2435059120061576
Energy: 0.8679260352589097
Energy: 0.9193526560550728
Energy: 0.8679260352582088
Energy: 2.2807282539181233
Energy: 0.8573943542352878
Energy: 0.8627589514637622
Energy: 0.8573943542352878
Energy: 2.1448759707999487
Energy: 0.8579466416568052
Energy: 0.8644926804402491
Energy: 0.8579466416568052

minimum gb energy = 0.8535119590684422 eV
minimum distance =  2.24336634859818 Angstroms
sigma value = 85


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

Energy: 2.1568014603233787
Energy: 0.7754240184552589
Energy: 0.778958953668937
Energy: 0.8730182974785845
Energy: 2.151592187322408
Energy: 0.7771599364911679
Energy: 0.9217969030450857
Energy: 0.7771599364911679
Energy: 1.9234878453850157
Energy: 0.7764048832997622
Energy: 0.921011902995321
Energy: 0.7764048832991542
Energy: 1.6601987536448402
Energy: 0.7748753986079229
Energy: 1.2343017154004523
Energy: 0.7748753986085309
Energy: 2.0291467726222505
Energy: 0.7749022573307561
Energy: 1.241270281405748
Energy: 0.7749022573319723
Energy: 1.6625764578770634
Energy: 0.7751710252371308
Energy: 1.2348211779595966
Energy: 0.7751710252383468
Energy: 1.660875329833604
Energy: 0.7752359851238064
Energy: 1.5197516401392703
Energy: 0.7752359851238064
Energy: 1.7807988096008684
Energy: 0.7753377354572262
Energy: 1.2439151539037003
Energy: 0.7753377354693863
Energy: 1.663696503187477
Energy: 0.7746362538809035
Energy: 1.5352027234444405
Energy: 0.7746362538809035
Energy: 1.6677033466295335
Energy: 1.1151936644459122
Energy: 1.795980413683089
Energy: 1.1151936644465203
Energy: 1.5187319741977825
Energy: 0.7745641850626153
Energy: 1.6010937684355577
Energy: 0.7745641847806122
Energy: 1.405439345961574
Energy: 0.7753790859604421
Energy: 1.7965381220242724
Energy: 0.7753790859604421
Energy: 1.5314235002305912
Energy: 0.7748286492606614
Energy: 1.7942480090015689
Energy: 0.7748286492600535
Energy: 1.2339625696908594
Energy: 0.7753759177201186
Energy: 1.5424181044348402
Energy: 0.7753759177189026
Energy: 1.067740217533242
Energy: 0.7746061740685959
Energy: 2.027333679045267
Energy: 0.7746061740685959
Energy: 1.2372058804018318
Energy: 0.7771289921635256
Energy: 1.7940680094354575
Energy: 0.7771289921623096
Energy: 0.930729470112304
Energy: 0.7788657090114249
Energy: 1.782077703701438
Energy: 0.7788657090108169
Energy: 0.9212727527718967
Energy: 0.7751217976237244
Energy: 2.1501776762325155
Energy: 0.7751217976255483
Energy: 0.9309151803125869
Energy: 0.775137864210149
Energy: 2.021509134154296
Energy: 0.775137864210149
Energy: 0.7756869504032419
Energy: 0.7756472655975154
Energy: 2.0214114854461425
Energy: 0.7756472655981235
Energy: 0.776181449026554
Energy: 0.7753415099697594
Energy: 2.1509459130542252
Energy: 0.7753415099697594
Energy: 0.7757278530935395
Energy: 0.7759384190348071
Energy: 1.899332389980422
Energy: 0.7759384190354153
Energy: 0.9315647450035366
Energy: 0.7752301624158341
Energy: 2.144199622824471
Energy: 0.7752301624158341
Energy: 0.9248645585590791
Energy: 0.775032162169076
Energy: 2.151013237021178
Energy: 0.775032162169684
Energy: 0.9221249593780881
Energy: 0.7750030281412839
Energy: 1.7809693610863393
Energy: 0.7750030281418917
Energy: 1.2430500864890341
Energy: 0.7753262606625545
Energy: 2.1785517027446657
Energy: 0.7753262606637705
Energy: 1.2413301627405247
Energy: 0.7749103101957335
Energy: 1.9245882366174298
Energy: 0.7749103101957335
Energy: 1.5180259552370883
Energy: 0.775856816055675
Energy: 1.7853463233312836
Energy: 0.7758568160562831
Energy: 1.5369451071396842
Energy: 0.7754450401750119
Energy: 1.9167417329336782
Energy: 0.775445040176228
Energy: 1.5342984453848916
Energy: 0.7764943287154323
Energy: 1.6639684280522236
Energy: 0.7764943287081639
Energy: 1.7817112662284287
Energy: 1.1218194386529325
Energy: 1.4207969555357498
Energy: 1.1218194386529325
Energy: 1.5326190328412188
Energy: 0.7747652168788834
Energy: 1.6673604370359485
Energy: 0.7747652168788834
Energy: 1.7959095637089957
Energy: 0.7755802647753797
Energy: 1.4003737049316267
Energy: 0.7755802667748276
Energy: 2.037243435179926
Energy: 0.7755633186036393
Energy: 1.4017410497074971
Energy: 0.7755633186036393
Energy: 1.5981342032716428
Energy: 0.7766035888787632
Energy: 1.2334101139207048
Energy: 0.7766035888805872
Energy: 2.0521982947661974
Energy: 0.7744691435653227
Energy: 1.2411364147099815
Energy: 0.7744691435659309
Energy: 2.050651759553753
Energy: 0.775386479581298
Energy: 1.2403353557798527
Energy: 0.7753864795819059
Energy: 1.792008803741043
Energy: 0.7748784266045541
Energy: 0.922090419255419
Energy: 0.7748784266045541
Energy: 2.2915577211031444
Energy: 0.7747921914892765
Energy: 0.9234720075256859
Energy: 0.7747921914886684
Energy: 2.02297116846448
Energy: 0.7809383995533602
Energy: 0.9315079148948099
Energy: 0.7809383995533602
Energy: 1.7719779779640372
Energy: 0.7751926945914502
Energy: 0.775562245500099
Energy: 0.7751926945914502
Energy: 2.150868611822858
Energy: 0.7757357756853122
Energy: 0.775611327234309
Energy: 0.7757357756853122
Energy: 1.9005297732903446
Energy: 0.7756073843162895
Energy: 0.7753618804808513
Energy: 0.7756073843162895

minimum gb energy = 0.7744691435653227 eV
minimum distance =  2.24925516696652 Angstroms
sigma value = 113


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

Energy: 0.02046603076638827
Energy: 0.7594247433816509
Energy: 1.7016338769783355
Energy: 0.021639847883005207
Energy: 1.1147343233033313
Energy: 0.1775337559467918
Energy: 1.1183086382418392
Energy: 0.1775337559467918
Energy: 0.02122546932481046
Energy: 0.17488459912386323
Energy: 1.1158278049664205
Energy: 0.17488459912433066
Energy: 0.023114900783459895
Energy: 0.17527484790498696
Energy: 1.1125775280787298
Energy: 0.17527484790498696
Energy: 1.117405718148412
Energy: 0.17507086809444553
Energy: 1.1166319663568984
Energy: 0.17507086809538033
Energy: 0.021059603512353742
Energy: 0.17455626389124823
Energy: 1.1158045939769314
Energy: 0.17455626389078086

minimum gb energy = 0.02046603076638827 eV
minimum distance =  2.45865493407378 Angstroms
sigma value = 1