Model name: model_name=MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_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=3.521391749382019
cohesive_energy=4.450350014972491
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, 3.22699202383842e-19, 3.8083257937189797e-19, 4.2788690493584396e-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: 0.01808958665091949
Energy: 0.018369345042901376
Energy: 1.125432705335838
Energy: 0.16010889686461563
Energy: 0.018369345043525658
Energy: 2.253826510916381
Energy: 0.1601088968652766
Energy: 2.2538265109170053
Energy: 1.1254327053352136
Energy: 0.1601088968652766
Energy: 0.01808958665091949
Energy: 0.018369345043525658
Energy: 0.16010889686461563
Energy: 2.253826510920237
Energy: 0.018369345043525658
Energy: 2.2538265109099176

minimum gb energy = 0.01808958665091949 eV
minimum distance =  2.44933265137814 Angstroms
sigma value = 1


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

Energy: 2.065352499006838
Energy: 1.3178050306646365
Energy: 1.432362113033896
Energy: 1.431305231760975
Energy: 1.3617006085466665
Energy: 1.4451270322226917
Energy: 1.337286510667953
Energy: 1.4451270322234935
Energy: 1.4318012750043052
Energy: 1.4313968360314746
Energy: 2.2401106001054525
Energy: 1.4313968360322764
Energy: 1.343295952376825
Energy: 1.3374772811631905
Energy: 1.3377823018226802
Energy: 1.337477281164794
Energy: 1.9198726711669911
Energy: 1.339190451441576
Energy: 1.3366773275724866
Energy: 1.339190451441576
Energy: 1.424692950133711
Energy: 1.4824114066830483
Energy: 1.3514112045820645
Energy: 1.482411406681445
Energy: 1.4510387647918106
Energy: 1.4519573362512523
Energy: 1.9208809436016414
Energy: 1.4519573362520541
Energy: 1.3947202306891233
Energy: 1.3957649518763022
Energy: 1.4558844474265737
Energy: 1.3957649518763022
Energy: 1.6546835608701516
Energy: 1.5260161736909086
Energy: 1.493669936760563
Energy: 1.5260161736917104
Energy: 1.4499399889283604
Energy: 1.5010372020241152
Energy: 1.408585732826914
Energy: 1.5010372020241152
Energy: 1.4043270136305863
Energy: 1.5263902535228102
Energy: 1.65475328333273
Energy: 1.5263902535228102
Energy: 1.395424447373019
Energy: 1.527850313858284
Energy: 1.4599407261872812
Energy: 1.5278503138574824
Energy: 1.4487106293394096
Energy: 1.4516868277652777
Energy: 1.3777681577872911
Energy: 1.451686827764476
Energy: 1.4264058014164376
Energy: 1.4512639069251378
Energy: 1.4140455011115598
Energy: 1.4512639069251378
Energy: 1.3770776847258843
Energy: 1.3390191363485084
Energy: 1.3379614757546214
Energy: 1.3390191363477066
Energy: 1.3874788556843554
Energy: 1.3378840339188913
Energy: 1.3386472025397667
Energy: 1.3378840339196931
Energy: 1.4336229145864756
Energy: 1.4311223679334595
Energy: 1.3109210743284154
Energy: 1.431122367934261
Energy: 1.3381614229675856
Energy: 1.3429343914902692
Energy: 1.3606311776665347
Energy: 1.3429343914902692
Energy: 1.3488902110501237
Energy: 1.4311443770120718
Energy: 1.4349890907507754
Energy: 1.4311443770120718
Energy: 1.4213769289895464
Energy: 1.4456700021778244
Energy: 1.3437975194143823
Energy: 1.445670002178626
Energy: 1.3373473417529913
Energy: 1.3445313658393423
Energy: 1.9195462107903891
Energy: 1.344531365840144
Energy: 1.3515151634134688
Energy: 1.3498660081338134
Energy: 1.4252996922036008
Energy: 1.3498660081346152
Energy: 1.9214086471536949
Energy: 1.451757204708465
Energy: 1.3934398081310488
Energy: 1.4517572047076635
Energy: 1.456475809466465
Energy: 1.462126389113895
Energy: 1.3971481571066193
Energy: 1.462126389113895
Energy: 1.4077216356805653
Energy: 1.5274580241519549
Energy: 1.6539333870236188
Energy: 1.5274580241519549
Energy: 1.4113443303552944
Energy: 1.526727004209054
Energy: 1.4522345890802806
Energy: 1.5267270042082521
Energy: 1.6557794356240163
Energy: 1.5275316021976801
Energy: 1.4049831205123158
Energy: 1.5275316021976801
Energy: 1.4570708547703286
Energy: 1.5235737614894018
Energy: 1.3959851841092623
Energy: 1.5235737614886002
Energy: 1.3782219907272935
Energy: 1.4516438750641578
Energy: 1.4488034090679125
Energy: 1.451643875063356
Energy: 1.4140847471595508
Energy: 1.4514859659948776
Energy: 1.4234605589528253
Energy: 1.4514859659948776
Energy: 1.336894243450956
Energy: 1.3395360916960195
Energy: 1.3776602837094614
Energy: 1.3395360916976229
Energy: 1.3383802167377714
Energy: 1.3377006249219285
Energy: 1.3874285375185058
Energy: 1.3377006249203252
Energy: 1.3106876987229816
Energy: 1.3424853895264424
Energy: 1.432159818377779
Energy: 1.3424853895272442

minimum gb energy = 1.3106876987229816 eV
minimum distance =  2.23439565403531 Angstroms
sigma value = 1


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

Energy: 2.328925130006195
Energy: 1.3741120344368798
Energy: 1.5043253360549478
Energy: 1.5048573216245476
Energy: 1.4376842334357296
Energy: 1.5120126696213032
Energy: 1.402043708371437
Energy: 1.512012669620389
Energy: 1.5053791060511912
Energy: 1.5057221309540918
Energy: 2.1407215884280495
Energy: 1.5057221309522637
Energy: 1.4083691718069857
Energy: 1.4015813104609622
Energy: 1.401275928696648
Energy: 1.4015813104618764
Energy: 2.141453634302848
Energy: 1.4025915022253712
Energy: 1.4017926537635808
Energy: 1.4025915022253712
Energy: 1.502844215662953
Energy: 1.5611170139870991
Energy: 1.415962697622764
Energy: 1.561117013986185
Energy: 1.4742903230330686
Energy: 1.5364513526117913
Energy: 1.8013390901933644
Energy: 1.5364513526117913
Energy: 1.4650265825776312
Energy: 1.4651296053526257
Energy: 1.5366966670253217
Energy: 1.4651296053489695
Energy: 1.8034178055633199
Energy: 1.608606859326402
Energy: 1.6549176449018814
Energy: 1.6086068593282303
Energy: 1.5387683347442989
Energy: 1.5791693631000077
Energy: 1.4657625560710386
Energy: 1.5791693630981796
Energy: 1.4486515811258098
Energy: 1.5363355025549175
Energy: 1.5440214688944076
Energy: 1.5363355025549175
Energy: 1.4907804524323347
Energy: 1.536283263497655
Energy: 1.5038328656035047
Energy: 1.536283263497655
Energy: 1.403194085198026
Energy: 1.4025299560942164
Energy: 1.9510805338599733
Energy: 1.4025299560951303
Energy: 1.4016599373129561
Energy: 1.4016893366379992
Energy: 1.4560662025133349
Energy: 1.4016893366379992
Energy: 1.366778991361812
Energy: 1.5053928408561577
Energy: 1.504331956539957
Energy: 1.5053928408570718
Energy: 1.432900276156551
Energy: 1.409117094598518
Energy: 1.4017247765378948
Energy: 1.4091170945994322
Energy: 1.504841012103075
Energy: 1.5052054281649803
Energy: 1.4136676166013846
Energy: 1.5052054281658944
Energy: 1.4088166913518607
Energy: 1.5142461947412111
Energy: 1.5023262555020898
Energy: 1.5142461947384689
Energy: 1.414803263385606
Energy: 1.4094088925918202
Energy: 1.4031058597940174
Energy: 1.4094088925936483
Energy: 1.5040848622027716
Energy: 1.402404898105383
Energy: 1.4171920916208112
Energy: 1.4024048981017267
Energy: 1.470138229922717
Energy: 1.5369047061107426
Energy: 1.8012856055263804
Energy: 1.5369047061098284
Energy: 1.4644197181150151
Energy: 1.5368472488346372
Energy: 1.537520951395019
Energy: 1.536847248830067
Energy: 1.802716078210976
Energy: 1.608432014269663
Energy: 1.4725264413925354
Energy: 1.608432014269663
Energy: 1.5379850694745163
Energy: 1.6081953607784059
Energy: 1.4661885989334424
Energy: 1.608195360781148
Energy: 1.4493123246532764
Energy: 1.53651062310223
Energy: 1.5428287990202996
Energy: 1.53651062310223
Energy: 1.4912075772917073
Energy: 1.5399359708294693
Energy: 1.503028501405669
Energy: 1.5399359708303832
Energy: 1.4016008012933743
Energy: 1.4024348652351275
Energy: 1.4479413751173882
Energy: 1.4024348652351275
Energy: 1.4027169176377268
Energy: 1.4025775532275957
Energy: 1.4555630116359364
Energy: 1.4025775532275957
Energy: 1.3667341686896741
Energy: 1.4089833346044187
Energy: 1.5040306268993555
Energy: 1.4089833346044187

minimum gb energy = 1.3667341686896741 eV
minimum distance =  2.2324130773316 Angstroms
sigma value = 25


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

Energy: 2.2067523420837163
Energy: 1.433461255520287
Energy: 1.584544282823315
Energy: 1.584313040365418
Energy: 1.5170454934669089
Energy: 1.5814254118495483
Energy: 1.471539052212084
Energy: 1.581425411850611
Energy: 1.583861245413592
Energy: 1.585206153494685
Energy: 2.005736466615513
Energy: 1.585206153494685
Energy: 1.4821414330436469
Energy: 1.4727802333772357
Energy: 1.472164036668942
Energy: 1.472780233376173
Energy: 2.006624491377187
Energy: 1.4722992362205378
Energy: 1.4723159522231815
Energy: 1.4722992362205378
Energy: 1.5864296182446203
Energy: 1.644212673402497
Energy: 1.4838975990865626
Energy: 1.6442126734046223
Energy: 1.5524381838414838
Energy: 1.6371795230316741
Energy: 1.660943995692795
Energy: 1.6371795230316741
Energy: 1.5306389070749067
Energy: 1.644829518392063
Energy: 1.6308335718477176
Energy: 1.6448295183931254
Energy: 1.6615199710360802
Energy: 1.6366651528622056
Energy: 1.8120006227456866
Energy: 1.6366651528622056
Energy: 1.6088948342399352
Energy: 1.6370221039426784
Energy: 1.4839063597321875
Energy: 1.6370221039426784
Energy: 1.4232292760210374
Energy: 1.4721791943436828
Energy: 1.470708105081966
Energy: 1.4721791943436828
Energy: 1.5282887496904571
Energy: 1.4720359298988088
Energy: 1.4712416052253428
Energy: 1.4720359298988088
Energy: 1.583797024596941
Energy: 1.5846783153548722
Energy: 1.4215397377043595
Energy: 1.5846783153548722
Energy: 1.4945069117402392
Energy: 1.4824360524850433
Energy: 1.5185542739694426
Energy: 1.4824360524850433
Energy: 2.0037095267722522
Energy: 1.5852488025294447
Energy: 1.5859070035364826
Energy: 1.5852488025305074
Energy: 1.5976914722298885
Energy: 1.5821104559693344
Energy: 1.4819482654927996
Energy: 1.5821104559693344
Energy: 1.4721205150423187
Energy: 1.4821575536591447
Energy: 2.0057335332129957
Energy: 1.4821575536591447
Energy: 1.4861135677928243
Energy: 1.4716571330784574
Energy: 1.5859512120461552
Energy: 1.4716571330784574
Energy: 1.6612869895099442
Energy: 1.6369396353025294
Energy: 1.5980448801179912
Energy: 1.6369396353025294
Energy: 1.6325973580349558
Energy: 1.6369634007490763
Energy: 1.5330263205571912
Energy: 1.6369634007490763
Energy: 1.524361663513783
Energy: 1.6367118917519972
Energy: 1.6610907327524251
Energy: 1.6367118917519972
Energy: 1.5784154762710203
Energy: 1.6423041931554345
Energy: 1.5991880765314141
Energy: 1.6423041931554345
Energy: 1.4720350453226716
Energy: 1.4726176888545268
Energy: 1.425005427830945
Energy: 1.4726176888545268
Energy: 1.4719717655947095
Energy: 1.4720098137621598
Energy: 1.5285387208756074
Energy: 1.4720098137621598
Energy: 1.4239129768952705
Energy: 1.4825673885908575
Energy: 1.584000622450319
Energy: 1.4825673885908575

minimum gb energy = 1.4215397377043595 eV
minimum distance =  2.23661217291648 Angstroms
sigma value = 9


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

Energy: 2.0227343335672883
Energy: 1.4867060071542153
Energy: 1.668168353561069
Energy: 1.6671039677824415
Energy: 1.6179234359709114
Energy: 1.6436952329581929
Energy: 1.547369924784886
Energy: 1.6436952329569254
Energy: 1.6676732541533033
Energy: 1.6678136939782768
Energy: 2.3690834151947233
Energy: 1.6678136939782768
Energy: 1.5322685719801157
Energy: 1.5463110915050526
Energy: 1.5467693031160494
Energy: 1.5463110915050526
Energy: 1.8199962719210596
Energy: 1.5471602410582141
Energy: 1.5459322480605804
Energy: 1.5471602410569467
Energy: 1.761538196194374
Energy: 1.799344935132163
Energy: 1.5485029625221436
Energy: 1.7993449351308954
Energy: 1.6185171044017304
Energy: 1.7501373479214675
Energy: 1.8245943938820461
Energy: 1.7501373479201996
Energy: 1.5490011179830419
Energy: 1.7617692277792805
Energy: 1.761369715736613
Energy: 1.761769227780548
Energy: 1.545744720064729
Energy: 1.5476052975487442
Energy: 1.470489145019133
Energy: 1.5476052975449415
Energy: 1.5463691099939743
Energy: 1.5461775461257157
Energy: 1.6044578901746709
Energy: 1.5461775461269829
Energy: 2.0267926575302466
Energy: 1.6665723307212523
Energy: 1.6668572517384137
Energy: 1.666572330719985
Energy: 1.5845924769291142
Energy: 1.5640257178592076
Energy: 1.5471571707896852
Energy: 1.56402571785794
Energy: 1.6686585804167648
Energy: 1.66770589888265
Energy: 1.52722924659258
Energy: 1.66770589888265
Energy: 1.5651785063048507
Energy: 1.643633383418887
Energy: 1.6640753932519474
Energy: 1.643633383418887
Energy: 1.8206757331934782
Energy: 1.5640664165552285
Energy: 1.5506683675182007
Energy: 1.5640664165552285
Energy: 1.760830037460809
Energy: 1.5467460881954278
Energy: 1.5467054793921173
Energy: 1.5467460881954278
Energy: 1.6639880631418622
Energy: 1.750275371264252
Energy: 1.8242081012065596
Energy: 1.7502753712655195
Energy: 1.5851639269813036
Energy: 1.749655797371355
Energy: 1.759589646217282
Energy: 1.7496557973726226
Energy: 1.5443655860073195
Energy: 1.5489869973955321
Energy: 1.4700483392751065
Energy: 1.5489869973955321
Energy: 1.5467083115275173
Energy: 1.5472733380651433
Energy: 1.4701122717404342
Energy: 1.5472733380651433
Energy: 1.4680102066166816
Energy: 1.5639204380009168
Energy: 1.667348395129533
Energy: 1.5639204380021845

minimum gb energy = 1.4680102066166816 eV
minimum distance =  2.22949086060084 Angstroms
sigma value = 25


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

Energy: 1.754563004760164
Energy: 1.5155767146472818
Energy: 1.7444537362864707
Energy: 1.7439469947214745
Energy: 1.4942580829710785
Energy: 1.6266788151380833
Energy: 1.545396607071029
Energy: 1.6266788151380833
Energy: 1.7437749895308803
Energy: 1.744839518673354
Energy: 2.1465038832513152
Energy: 1.744839518673354
Energy: 1.701374189322417
Energy: 1.6281071395925684
Energy: 1.546067220530923
Energy: 1.6281071395925684
Energy: 1.62462093943896
Energy: 1.6325474752801745
Energy: 1.546505583217498
Energy: 1.632547475281742
Energy: 1.9066591593052773
Energy: 1.6316616954335714
Energy: 1.5448410367765577
Energy: 1.6316616954320036
Energy: 1.7605010687906453
Energy: 1.6330566845394396
Energy: 1.628960001392023
Energy: 1.6330566845394396
Energy: 1.494458717148587
Energy: 1.7295676669661508
Energy: 1.6528078773623527
Energy: 1.7295676669661508
Energy: 1.7427651672440614
Energy: 1.74287991097923
Energy: 1.8949027136576997
Energy: 1.74287991097923
Energy: 1.5455239600735278
Energy: 1.502508391287845
Energy: 1.894586553750764
Energy: 1.502508391287845
Energy: 2.146131395581235
Energy: 1.7446604744864225
Energy: 1.747193677129882
Energy: 1.744660474484855
Energy: 1.6935709379360555
Energy: 1.6269665454792543
Energy: 1.699820461208812
Energy: 1.6269665454792543
Energy: 1.547934966850273
Energy: 1.5016696946294656
Energy: 1.6247687117016416
Energy: 1.501669694632601
Energy: 1.5473710983457591
Energy: 1.633506798256051
Energy: 1.9081469368612927
Energy: 1.633506798256051
Energy: 1.6271640737332513
Energy: 1.6306330632009687
Energy: 1.4939761120811128
Energy: 1.630633063188428
Energy: 1.5449152222307936
Energy: 1.6529650428285039
Energy: 1.4943751495559583
Energy: 1.6529650428285039
Energy: 1.4940798981166588
Energy: 1.502836835214794
Energy: 1.7440882170494902
Energy: 1.502836835214794

minimum gb energy = 1.4939761120811128 eV
minimum distance =  2.30994838288921 Angstroms
sigma value = 17


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

Energy: 2.4267865433599733
Energy: 1.7971550959108635
Energy: 1.9344189037542152
Energy: 1.9348791163147274
Energy: 1.7925464259316486
Energy: 1.629378106158629
Energy: 1.915837325053451
Energy: 1.6293781061604045
Energy: 1.6609424779632807
Energy: 1.6612429839101244
Energy: 2.2062492702458503
Energy: 1.6612429839092369
Energy: 1.6250493055242772
Energy: 1.6272600815521614
Energy: 1.916592871629898
Energy: 1.6272600815512737
Energy: 1.8263983061587374
Energy: 1.7623947356928686
Energy: 1.6673010711315885
Energy: 1.7623947356919811
Energy: 1.9140506376766626
Energy: 1.7647905129174548
Energy: 1.71649152332149
Energy: 1.7647905129156791
Energy: 1.9882209603873944
Energy: 1.6604842527817354
Energy: 1.6583151345287774
Energy: 1.6604842527817354
Energy: 2.0418929550291818
Energy: 1.6255411006987843
Energy: 1.6763752148538313
Energy: 1.6255411006987843
Energy: 1.9360355913592284
Energy: 1.9353420766776115
Energy: 2.2097066147305484
Energy: 1.9353420766776115
Energy: 1.8836285859040192
Energy: 1.7301041248247253
Energy: 1.9136334428105648
Energy: 1.7301041248247253
Energy: 1.8262409814453706
Energy: 1.5997530044236654
Energy: 1.6170448926098981
Energy: 1.59975300442988
Energy: 1.8836061063263432
Energy: 1.6001269208366622
Energy: 1.5980446754888027
Energy: 1.60012692083755
Energy: 1.7209122194755384
Energy: 1.5995576591983627
Energy: 1.5977973292292778
Energy: 1.5995576591983627
Energy: 1.721201267197945
Energy: 1.6269419573169497
Energy: 1.614909115925013
Energy: 1.6269419573178374
Energy: 1.9358666246917229
Energy: 1.8837237207272242
Energy: 2.0372364553528906
Energy: 1.8837237207272242
Energy: 1.9365861380580034
Energy: 1.9180691695752938
Energy: 2.0370538300932024
Energy: 1.9180691695761813
Energy: 1.8800218616579647
Energy: 1.6247396612540221
Energy: 1.662531220891724
Energy: 1.6247396612549099
Energy: 1.8794528398848276
Energy: 1.6247395351141727
Energy: 1.6591347823019567
Energy: 1.6247395351132852
Energy: 1.713895716280379
Energy: 1.8165028745782528
Energy: 1.7328207697005127
Energy: 1.8165028745782528
Energy: 1.6646110371580958
Energy: 1.7657459078639444
Energy: 1.7165715206446823
Energy: 1.7657459078639444
Energy: 1.624461532647755
Energy: 1.6248711204854247
Energy: 1.8904434643760157
Energy: 1.6248711204854247
Energy: 1.660659699997842
Energy: 1.6731416000057937
Energy: 1.9818731721623088
Energy: 1.6731416000057937
Energy: 1.9138732701887338
Energy: 1.7292145847437015
Energy: 1.7889542929457767
Energy: 1.7292145847454772
Energy: 2.207341884237385
Energy: 1.9349987333124123
Energy: 1.935921022587595
Energy: 1.9349987333115244
Energy: 1.5631373786960578
Energy: 1.5986741082451479
Energy: 1.8841501721490859
Energy: 1.5986741082442604
Energy: 1.5979606216275521
Energy: 1.6000552557936214
Energy: 1.827606985493337
Energy: 1.6000552557936214
Energy: 1.6162818095507592
Energy: 1.7025101689991444
Energy: 2.0476143973699243
Energy: 1.7025101689991444
Energy: 1.5982196628645482
Energy: 1.5996684808205937
Energy: 1.9881411477115098
Energy: 1.5996684808205937
Energy: 1.740943565859571
Energy: 1.6287316436471115
Energy: 1.7205268518556378
Energy: 1.6287316436479995
Energy: 2.428388571437406
Energy: 1.9355724174307887
Energy: 1.9341058376234321
Energy: 1.9355724174307887

minimum gb energy = 1.5631373786960578 eV
minimum distance =  2.2357433979525 Angstroms
sigma value = 53


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

Energy: 2.1601092164305484
Energy: 1.4607636307072385
Energy: 1.7766212525467349
Energy: 1.7753892463198597
Energy: 2.0921846849467025
Energy: 1.5451981025964476
Energy: 1.7660715195306886
Energy: 1.5451981025984913
Energy: 1.7756977479736056
Energy: 1.7780741013960206
Energy: 1.7904738100726894
Energy: 1.7780741013960206
Energy: 1.7660325360315563
Energy: 1.546726589565742
Energy: 1.7983021263877423
Energy: 1.546726589565742
Energy: 1.8009813556197054
Energy: 1.545180560687949
Energy: 1.4291298196435223
Energy: 1.545180560687949
Energy: 1.7629459409701012
Energy: 1.5471714746149432
Energy: 1.4295362192425696
Energy: 1.547171474612899
Energy: 2.1437623203816543
Energy: 1.7751178331410205
Energy: 1.7740756623579013
Energy: 1.7751178331410205
Energy: 2.1173963115554852
Energy: 1.5470749019994716
Energy: 1.776660891402243
Energy: 1.5470749019974281
Energy: 1.7772628921173137
Energy: 1.7770862542448822
Energy: 1.7930841564401034
Energy: 1.7770862542448822
Energy: 1.7647632619915254
Energy: 1.546913995422978
Energy: 1.7664184439678707
Energy: 1.546913995422978
Energy: 1.7986161330364208
Energy: 1.5476172459303517
Energy: 1.4298118662158585
Energy: 1.5476172459303517
Energy: 1.767969015677612
Energy: 1.5452821952959843
Energy: 1.428948940793682
Energy: 1.5452821952959843
Energy: 2.138730160518883
Energy: 1.5472495801276966
Energy: 1.7766888191785561
Energy: 1.5472495801276966

minimum gb energy = 1.428948940793682 eV
minimum distance =  2.29566450431689 Angstroms
sigma value = 9


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

Energy: 2.222759338048627
Energy: 1.99717953841982
Energy: 2.0617053032210326
Energy: 2.0604604703867144
Energy: 1.6690378803920676
Energy: 1.6035974972977032
Energy: 2.1146221699873364
Energy: 1.6035974972961904
Energy: 1.6009087048592905
Energy: 1.603059626682581
Energy: 2.0152258322033307
Energy: 1.6030596266863633
Energy: 1.6023378691827237
Energy: 1.6030842934978604
Energy: 2.157776963758887
Energy: 1.6030842935008864
Energy: 1.6060238426809572
Energy: 1.600834001913671
Energy: 2.1482810910561994
Energy: 1.6008340019114018
Energy: 1.6789101227172671
Energy: 1.6023460484501284
Energy: 2.144245222628869
Energy: 1.6023460484463459
Energy: 1.9833132716048565
Energy: 2.052966563274551
Energy: 2.0453400751019397
Energy: 2.052966563274551
Energy: 1.9805357352054427
Energy: 1.8033814033216145
Energy: 2.0458640997717046
Energy: 1.8033814033246403
Energy: 1.7196866686509957
Energy: 1.733706318500052
Energy: 1.7384134593217135
Energy: 1.7337063184992956
Energy: 1.613396172670609
Energy: 1.6873919376896436
Energy: 2.010270456986517
Energy: 1.687391937688887
Energy: 1.7743100204856248
Energy: 1.7601834177036826
Energy: 2.003733320596009
Energy: 1.7601834177014133
Energy: 1.794191515768907
Energy: 1.8911928070433979
Energy: 2.2056645243078052
Energy: 1.8911928070411286
Energy: 2.0994789987611617
Energy: 1.7926357851037382
Energy: 1.8525846800685317
Energy: 1.792635785106764
Energy: 2.1059419577719236
Energy: 1.8000812395976873
Energy: 1.84242674602738
Energy: 1.8000812395976873
Energy: 1.9541073602630645
Energy: 1.7623167180587396
Energy: 1.77180722002679
Energy: 1.7623167180519312
Energy: 1.8753169816488344
Energy: 1.8433247186612478
Energy: 1.7597033542090375
Energy: 1.8433247186620043
Energy: 1.9459730854417716
Energy: 1.8099374093111618
Energy: 1.8967774666994552
Energy: 1.8099374093141873
Energy: 1.94483865567125
Energy: 1.9407079110560896
Energy: 2.084812348588865
Energy: 1.9407079110545769
Energy: 1.9084306762911343
Energy: 1.8366532389913977
Energy: 1.651735933174553
Energy: 1.8366532389913977
Energy: 2.0143235164431776
Energy: 1.6871167274367065
Energy: 1.6799772270901174
Energy: 1.6871167274344372
Energy: 2.0945181376609834
Energy: 1.6801824474874896
Energy: 1.6823063185184666
Energy: 1.6801824474844638
Energy: 2.140667707620244
Energy: 1.633509900133244
Energy: 1.6355194533105744
Energy: 1.633509900133244
Energy: 2.144387624183535
Energy: 1.6355948254730508
Energy: 1.7089626980209252
Energy: 1.6355948254722943
Energy: 2.0605893091247562
Energy: 2.0450340330835415
Energy: 2.1039856767344576
Energy: 2.04503403308808
Energy: 2.0855418405838826
Energy: 1.8005585695061284
Energy: 2.101375222816482
Energy: 1.8005585695068846
Energy: 1.7422798104096455
Energy: 1.7768774110569943
Energy: 1.7247047640690476
Energy: 1.7768774110554812
Energy: 2.0100895346390204
Energy: 1.6461529805988497
Energy: 1.6123800066064453
Energy: 1.646152980599606
Energy: 2.0772237177324953
Energy: 1.7607890501221728
Energy: 1.7670368154051217
Energy: 1.7607890501236856
Energy: 2.224839097029614
Energy: 1.8170178608666767
Energy: 1.7765924363914052
Energy: 1.8170178608689462
Energy: 1.8344451124823609
Energy: 1.7599451132920791
Energy: 1.9867213852614467
Energy: 1.7599451132920791
Energy: 1.7945012854182918
Energy: 1.7688075067366935
Energy: 2.019560665439921
Energy: 1.7688075067382063
Energy: 1.7561602777083452
Energy: 1.7435476604196696
Energy: 2.026675453176513
Energy: 1.7435476604151998
Energy: 1.6888709297897377
Energy: 1.7677236654313924
Energy: 1.8801132098273385
Energy: 1.7677236654306356
Energy: 1.7722487949408674
Energy: 1.7813240874158212
Energy: 1.9205912937397387
Energy: 1.7813240874158212
Energy: 2.223773608765914
Energy: 2.055026092315594
Energy: 2.0595320696832764
Energy: 2.055026092313325

minimum gb energy = 1.6008340019114018 eV
minimum distance =  2.22116288002892 Angstroms
sigma value = 73


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

Energy: 2.1855154560225545
Energy: 1.698130621471883
Energy: 1.9647703119296591
Energy: 1.8884868855161188
Energy: 1.7258660641418693
Energy: 1.647317691862806
Energy: 1.6985568757511376
Energy: 1.6473176918652066
Energy: 1.6475537816906298
Energy: 1.6478725900613274
Energy: 1.8691998355847497
Energy: 1.6478725900613274
Energy: 1.6382399044882012
Energy: 1.6058319178721905
Energy: 2.070295987531332
Energy: 1.6058319178721905
Energy: 1.6390624511380119
Energy: 1.6538038726546598
Energy: 2.086123924202713
Energy: 1.6538038726546598
Energy: 1.8155372181545677
Energy: 1.6384497212252345
Energy: 2.0914559661844776
Energy: 1.6384497212240343
Energy: 1.8416466619187626
Energy: 2.004827521665874
Energy: 2.012965116965899
Energy: 2.004827521665874
Energy: 1.8403068223727737
Energy: 1.9312908452295292
Energy: 1.9374497019702717
Energy: 1.9312908452295292
Energy: 1.7558795855997842
Energy: 1.9039326941189623
Energy: 1.9037690143439951
Energy: 1.9039326929420763
Energy: 1.6583042409908029
Energy: 1.863312946119227
Energy: 1.9388651513995392
Energy: 1.863312946119227
Energy: 1.7826131417867181
Energy: 1.6943919790357906
Energy: 1.955662235716539
Energy: 1.6943919790369906
Energy: 1.7051463417645984
Energy: 1.690729822778348
Energy: 1.9756401395213257
Energy: 1.690729822778348
Energy: 1.9189952923937585
Energy: 1.8060627038490054
Energy: 1.6894957441279048
Energy: 1.8060627038490054
Energy: 1.868561547801368
Energy: 1.761272301345694
Energy: 1.760353812375893
Energy: 1.761272301345694
Energy: 1.9763338985241983
Energy: 1.6865975884400042
Energy: 1.6825668562836225
Energy: 1.6865975884400042
Energy: 2.0872088727104967
Energy: 1.6916189981089162
Energy: 1.6924486164091814
Energy: 1.6916189981089162
Energy: 2.0894477012956876
Energy: 1.845836815470942
Energy: 1.8011959251068332
Energy: 1.8458368154685418
Energy: 1.932431848766496
Energy: 1.9317161538432646
Energy: 2.6276873164667816
Energy: 1.9317161538444647
Energy: 1.875490835997695
Energy: 1.85950424368893
Energy: 1.8408432304283011
Energy: 1.8595042436901301
Energy: 1.786958307304
Energy: 1.707744081553169
Energy: 1.6889812975451741
Energy: 1.7077440815603704
Energy: 1.8811395753389661
Energy: 1.7134293566018488
Energy: 1.659238549579245
Energy: 1.7134293566018488
Energy: 2.080487354670381
Energy: 1.8900725888673882
Energy: 1.9563201611440058
Energy: 1.8900725888673882

minimum gb energy = 1.6058319178721905 eV
minimum distance =  2.18366138374025 Angstroms
sigma value = 7


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

Energy: 2.4945214313410684
Energy: 1.5848554153174048
Energy: 1.8851279739400746
Energy: 1.8855255508746236
Energy: 1.7954921753784079
Energy: 1.7312643963426677
Energy: 1.9969314642547804
Energy: 1.7312643963426677
Energy: 1.602835793383692
Energy: 1.6019579913290078
Energy: 1.7268171169149393
Energy: 1.6019579913281592
Energy: 1.598551195719798
Energy: 1.6036046836970144
Energy: 2.033699329754034
Energy: 1.6036046836995606
Energy: 1.632278593871134
Energy: 1.6309111278621098
Energy: 1.8738163959648648
Energy: 1.630911127864656
Energy: 1.6063904036463479
Energy: 1.6345951639433036
Energy: 1.874755268908985
Energy: 1.6345951639458498
Energy: 1.992390909589957
Energy: 1.6299281270553398
Energy: 1.602689316420106
Energy: 1.6299281270561885
Energy: 1.985926183255632
Energy: 1.6308798154898434
Energy: 1.6335761556189852
Energy: 1.6308798154915405
Energy: 2.1043063877680988
Energy: 1.6133603711209523
Energy: 1.6134274247572589
Energy: 1.613360371119255
Energy: 1.8752526647051508
Energy: 1.8356018964785175
Energy: 1.6065548385311603
Energy: 1.8356018964802152
Energy: 2.098625929282869
Energy: 1.738838705831755
Energy: 1.8454353125613012
Energy: 1.738838705831755
Energy: 1.888035571547366
Energy: 1.8075328853632326
Energy: 2.109448327148843
Energy: 1.8075328853776595
Energy: 1.732514119979288
Energy: 1.7319045254621723
Energy: 1.8344748081900784
Energy: 1.731904525460475
Energy: 1.7316421092726313
Energy: 1.6719333752527523
Energy: 1.577180195235985
Energy: 1.6719333752519039
Energy: 1.8004784293289267
Energy: 1.7319210148718873
Energy: 1.5793341700594368
Energy: 1.7319210148710382
Energy: 2.047853775811245
Energy: 1.8149596028770798
Energy: 1.88777419568277
Energy: 1.8149596028770798
Energy: 2.0415827158576327
Energy: 1.739454302349114
Energy: 1.8453474880560483
Energy: 1.7394543023737252
Energy: 1.6077223621227374
Energy: 1.8354085504096345
Energy: 1.7251171885440129
Energy: 1.8354085504121802
Energy: 1.610049588515314
Energy: 1.614110119732362
Energy: 1.8418765257722856
Energy: 1.6141101197332106
Energy: 1.7212838369920116
Energy: 1.6354625900964632
Energy: 2.0424300592215556
Energy: 1.6354625900973117
Energy: 1.6024432887044215
Energy: 1.630553826436176
Energy: 1.8803722774965839
Energy: 1.630553826434479
Energy: 1.9849284052900282
Energy: 1.6365452141924726
Energy: 1.6116768366724057
Energy: 1.6365452141933214
Energy: 1.9860664618000252
Energy: 1.6333905006813008
Energy: 1.6326997609886555
Energy: 1.6333905006796035
Energy: 2.0033775201781343
Energy: 1.6147519963630763
Energy: 1.6136064963301937
Energy: 1.6147519963622279
Energy: 1.8777491408521438
Energy: 1.6022977456280107
Energy: 1.6004539739541566
Energy: 1.602297745629708
Energy: 1.880504397059286
Energy: 1.731488044392962
Energy: 1.6369447121290528
Energy: 1.7314880443921132
Energy: 1.8852283291379197
Energy: 1.8856476810752876
Energy: 2.1803588976751413
Energy: 1.8856476810769849
Energy: 1.7368555004915998
Energy: 1.736913234719528
Energy: 1.8240991749848212
Energy: 1.736913234718679
Energy: 1.7306636065941998
Energy: 1.674978186284565
Energy: 1.7344482321754806
Energy: 1.6749781862862623
Energy: 1.837908712589437
Energy: 1.7311579317168142
Energy: 1.5770304833704851
Energy: 1.731157931715117
Energy: 2.041444447559355
Energy: 1.7394075829081688
Energy: 1.8081305397857896
Energy: 1.7394075829056226

minimum gb energy = 1.5770304833704851 eV
minimum distance =  2.19473342119664 Angstroms
sigma value = 29


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

Energy: 1.4117821281919485
Energy: 1.4139881910963754
Energy: 1.7553311570236731
Energy: 1.8520778680813517
Energy: 1.4155428839055697
Energy: 1.5921507931014156
Energy: 1.5527561693809466
Energy: 1.5921507931014156
Energy: 1.7540779577464147
Energy: 1.5425714439069782
Energy: 1.423524834228547
Energy: 1.5425714439067155
Energy: 1.4155736259964706
Energy: 1.4422362700967455
Energy: 1.4445163959089928
Energy: 1.4422362700955957
Energy: 1.4403736885561331
Energy: 1.4419302847398445
Energy: 1.4162937855763769
Energy: 1.4419302847406987
Energy: 1.4446264660895924
Energy: 1.5393851731731136
Energy: 1.4160978024395763
Energy: 1.5393851731737047
Energy: 1.424043235151138
Energy: 1.543014429163564
Energy: 1.7547012708837662
Energy: 1.54301442916271
Energy: 1.5546560505156477
Energy: 1.4423278614866575
Energy: 1.4155764980191472
Energy: 1.442327861486099
Energy: 1.4164563948887892
Energy: 1.4416719048930235
Energy: 1.4426849850830736
Energy: 1.4416719048935815

minimum gb energy = 1.4117821281919485 eV
minimum distance =  2.26644978591821 Angstroms
sigma value = 5


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

Energy: 1.9314372588582642
Energy: 1.4675002226453644
Energy: 1.8309288473085874
Energy: 1.828854921244894
Energy: 1.818958958856001
Energy: 1.4776187003458805
Energy: 1.7387029079103453
Energy: 1.4776187003458805
Energy: 1.7386642701559816
Energy: 1.58857265517482
Energy: 1.7354413774130437
Energy: 1.58857265517482
Energy: 1.4960210125935214
Energy: 1.476208179690253
Energy: 1.885612032395982
Energy: 1.4762081796918565
Energy: 1.7431292338170719
Energy: 1.6039152819384912
Energy: 1.7293505256335553
Energy: 1.6039152819376896
Energy: 1.5579816304392167
Energy: 1.4955638981840247
Energy: 1.730558663934661
Energy: 1.4955638981840247
Energy: 1.4769745591414147
Energy: 1.4756662570073034
Energy: 1.8839512347619225
Energy: 1.4756662570073034
Energy: 1.4783279963669214
Energy: 1.4785680329760529
Energy: 1.9409591697810282
Energy: 1.4785680329760529
Energy: 1.8190468521995171
Energy: 1.55382057903585
Energy: 1.958930194039541
Energy: 1.5538205790381818
Energy: 1.7102575239592885
Energy: 1.4597490770906187
Energy: 1.459371512729476
Energy: 1.4597490770906187
Energy: 1.6863020783862763
Energy: 1.4587121247705543
Energy: 1.4587935612119098
Energy: 1.4587121247697525
Energy: 1.9569794567863483
Energy: 1.4665637735828183
Energy: 1.4576046276995662
Energy: 1.4665637735828183
Energy: 1.9625560675093063
Energy: 1.464142336519085
Energy: 1.6507331274761068
Energy: 1.4641423365206885
Energy: 1.8175358270743383
Energy: 1.5602031096807787
Energy: 1.7303814553516874
Energy: 1.5602031096815803
Energy: 1.4780902343233615
Energy: 1.4771396492886837
Energy: 1.7322107063331582
Energy: 1.4771396492886837
Energy: 1.478035295332325
Energy: 1.4768934413367214
Energy: 1.7509989373340096
Energy: 1.4768934413383246
Energy: 1.8288554924085925
Energy: 1.476877886328087
Energy: 1.495097545210026
Energy: 1.476877886328087
Energy: 1.806434430427879
Energy: 1.4790095426845051
Energy: 1.8222967292584076
Energy: 1.4790095426845051
Energy: 1.7176036609740422
Energy: 1.5904441417776356
Energy: 1.7388085423344184
Energy: 1.5904441417776356
Energy: 1.882644283225509
Energy: 1.4759719755322978
Energy: 1.4915316639492775
Energy: 1.4759719755298928
Energy: 1.7322729266425907
Energy: 1.4836111140015924
Energy: 1.742862800422688
Energy: 1.4836111140031956
Energy: 1.7290303337070958
Energy: 1.5579161796059093
Energy: 1.560103207386168
Energy: 1.5579161796067111
Energy: 1.8884947751979924
Energy: 1.4763639478782766
Energy: 1.4783525189184203
Energy: 1.4763639478790782
Energy: 1.9634407928290363
Energy: 1.4772658582373304
Energy: 1.4782390553589204
Energy: 1.4772658582365288
Energy: 1.960561646561288
Energy: 1.5534481184490663
Energy: 1.8165395552714008
Energy: 1.5534481184482647
Energy: 1.4653493846750791
Energy: 1.4609481917361213
Energy: 1.7100720174386368
Energy: 1.4609481917361213
Energy: 1.4634992819170618
Energy: 1.4583727392792651
Energy: 1.6833975586778802
Energy: 1.4583727392792651
Energy: 1.5001854756545967
Energy: 1.4600186179352994
Energy: 1.4916465440310636
Energy: 1.460018617936101
Energy: 1.4623210201891554
Energy: 1.458113435137906
Energy: 1.9377080277278218
Energy: 1.458113435137104
Energy: 1.7296531755160502
Energy: 1.5534073736812852
Energy: 1.8159237468685832
Energy: 1.5534073736804836
Energy: 1.7292143683707675
Energy: 1.4772167329978898
Energy: 1.480378676238602
Energy: 1.477216732997088
Energy: 1.7381971116460182
Energy: 1.4772256228328229
Energy: 1.4793585627884953
Energy: 1.4772256228344265
Energy: 1.4963838149284037
Energy: 1.4759744746561725
Energy: 1.5607963503792073
Energy: 1.4759744746601808

minimum gb energy = 1.4576046276995662 eV
minimum distance =  2.22414325190306 Angstroms
sigma value = 1


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

Energy: 2.25421222158282
Energy: 1.4941537306702106
Energy: 1.8176527003070024
Energy: 1.8171933782077705
Energy: 1.6981474085688038
Energy: 1.4428368507239608
Energy: 1.778488679678506
Energy: 1.4428368507239608
Energy: 1.7749603140988037
Energy: 1.5904535797903605
Energy: 1.776010190440283
Energy: 1.5904535797903605
Energy: 1.5957682564631626
Energy: 1.7455484620707669
Energy: 1.778107300175457
Energy: 1.7455484620707669
Energy: 1.7821115402034864
Energy: 1.560727891221501
Energy: 1.625375102688711
Energy: 1.560727891221501
Energy: 1.559064798055008
Energy: 1.4792549860520694
Energy: 1.6256737132647505
Energy: 1.4792549860520694
Energy: 1.4475111109151237
Energy: 1.4477139187660202
Energy: 1.7782631156933313
Energy: 1.4477139187671284
Energy: 1.4493053543008434
Energy: 1.452200542023546
Energy: 1.9370889037221424
Energy: 1.4522005420224378
Energy: 1.4990340073494182
Energy: 1.555289568885499
Energy: 1.9357897502149481
Energy: 1.555289568885499
Energy: 1.9005547545926635
Energy: 1.399353471646894
Energy: 1.5676298705299836
Energy: 1.399353471646894
Energy: 1.4992134160110773
Energy: 1.4128778270029978
Energy: 1.5695709607061257
Energy: 1.4128778270007814
Energy: 2.049084312170677
Energy: 1.3981702500099757
Energy: 1.5293120310325925
Energy: 1.398170250008867
Energy: 2.078120409399099
Energy: 1.3975763803317351
Energy: 1.5560060276925958
Energy: 1.3975763803328434
Energy: 1.9143151896933774
Energy: 1.3961308254671578
Energy: 1.8946252051024408
Energy: 1.3961308254660494
Energy: 1.595276502294718
Energy: 1.7083575169859941
Energy: 1.8945034414916535
Energy: 1.7083575169859941
Energy: 1.6156393701936693
Energy: 1.4484950345349046
Energy: 1.865162586963842
Energy: 1.448495034533796
Energy: 1.656375376869706
Energy: 1.5409102589305543
Energy: 1.6313083599854792
Energy: 1.5409102589283374
Energy: 1.4743133779527726
Energy: 1.4517837144394807
Energy: 1.6236331545893758
Energy: 1.4517837144394807
Energy: 1.4506634929271731
Energy: 1.4487643135665522
Energy: 1.9344604827727712
Energy: 1.4487643135665522
Energy: 1.4488631718112668
Energy: 1.73122690910772
Energy: 1.9499677868870515
Energy: 1.731226909106612
Energy: 1.9174030504213195
Energy: 1.5573659429424556
Energy: 1.7870092462285077
Energy: 1.5573659429435638
Energy: 1.9073124885897368
Energy: 1.4423332363002157
Energy: 1.4427845177258085
Energy: 1.4423332363002157
Energy: 1.986833307492368
Energy: 1.4409870962599807
Energy: 1.4415634482667632
Energy: 1.4409870962578142
Energy: 1.934341873754985
Energy: 1.4961765301871734
Energy: 1.4956151424461537
Energy: 1.4961765301860652

minimum gb energy = 1.3961308254660494 eV
minimum distance =  2.22224540930921 Angstroms
sigma value = 17


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

Energy: 2.1816409194023434
Energy: 1.4095813295684438
Energy: 1.7989749629775045
Energy: 1.7980633832220425
Energy: 1.418552360548315
Energy: 1.4088689901510139
Energy: 1.6368569115739036
Energy: 1.408868990150329
Energy: 1.8306743876898695
Energy: 1.7122215807371697
Energy: 1.6275926003065926
Energy: 1.7122215807378551
Energy: 1.7976246288973943
Energy: 1.494048081516549
Energy: 1.7976083541288927
Energy: 1.494048081516549
Energy: 1.5680248166445148
Energy: 1.4246331266686205
Energy: 1.9980426246374614
Energy: 1.4246331266699908
Energy: 1.4314301783352927
Energy: 1.422545013397007
Energy: 1.9801684416760565
Energy: 1.422545013397007
Energy: 1.394439834944011
Energy: 1.3928281536560285
Energy: 1.492649538668289
Energy: 1.3928281536553433
Energy: 1.4014762301432966
Energy: 1.3955557965669714
Energy: 2.1894626196123124
Energy: 1.3955557965683418
Energy: 1.977051286991428
Energy: 1.3956804048135867
Energy: 1.8183131851010133
Energy: 1.395680404814957
Energy: 1.604042354972596
Energy: 1.4936362306221065
Energy: 1.635131823747183
Energy: 1.4936362306207362
Energy: 2.0790563298489944
Energy: 1.407011561130122
Energy: 1.4168080743671219
Energy: 1.407011561129437
Energy: 1.9765921697924127
Energy: 1.4108736088633074
Energy: 1.6404045579950446
Energy: 1.4108736088626221
Energy: 1.9885733211127863
Energy: 1.4696240678690855
Energy: 1.4777824925267948
Energy: 1.4696240678684003
Energy: 1.867586656448727
Energy: 1.4069319111905945
Energy: 1.4108225804089982
Energy: 1.4069319111912797
Energy: 1.8243429311662058
Energy: 1.4094319041157348
Energy: 1.4158463525776441
Energy: 1.4094319041157348
Energy: 2.1415267475700386
Energy: 1.4741892265465373
Energy: 1.8108192141914332
Energy: 1.4741892265458525
Energy: 1.4080791733533418
Energy: 1.5090909305356146
Energy: 1.988775297368605
Energy: 1.509090930538355
Energy: 1.4121732901257376
Energy: 1.4075753804499649
Energy: 2.0807909684410593
Energy: 1.4075753804499649
Energy: 1.4773320691417344
Energy: 1.4095500922851758
Energy: 1.8177383436513217
Energy: 1.4095500922844908
Energy: 1.4872430096991218
Energy: 1.627624290660541
Energy: 2.1830562667041535
Energy: 1.6276242905098826
Energy: 1.6322540572052209
Energy: 1.4093020372682763
Energy: 1.7262875532447433
Energy: 1.4093020372710165
Energy: 1.6304933759922315
Energy: 1.7099077193549004
Energy: 1.8294488794824348
Energy: 1.7099077193562704
Energy: 1.5814902073855863
Energy: 1.392568820447737
Energy: 1.8272569457349295
Energy: 1.3925688204484223
Energy: 1.9847005324493439
Energy: 1.3942351180428187
Energy: 1.6345122539033223
Energy: 1.3942351180421335
Energy: 1.9767212537950913
Energy: 1.3981560088117997
Energy: 1.4251673289084723
Energy: 1.3981560088111147
Energy: 1.7450174429321073
Energy: 1.3936498214936994
Energy: 1.3975276052979826
Energy: 1.3936498214936994
Energy: 2.1835989845740986
Energy: 1.3967123407094473
Energy: 1.4056664126689837
Energy: 1.3967123407135578
Energy: 2.021959802436607
Energy: 1.3948395936833593
Energy: 1.9774278847862892
Energy: 1.3948395936826745
Energy: 1.6301156208236343
Energy: 1.708877285257683
Energy: 1.6077434810076234
Energy: 1.708877285256998
Energy: 1.4190349883889015
Energy: 1.406300594762149
Energy: 2.082738233972761
Energy: 1.406300594762149
Energy: 1.635820084441188
Energy: 1.5030664318728981
Energy: 1.979656777514571
Energy: 1.5030664318735831
Energy: 1.4723522852759865
Energy: 1.4683060934066343
Energy: 1.9817621685763198
Energy: 1.468306093407319
Energy: 1.4073452695058153
Energy: 1.4060899726180986
Energy: 1.8722707904888194
Energy: 1.4060899726174132
Energy: 1.421213872878947
Energy: 1.4100192154899116
Energy: 1.7973734170490554
Energy: 1.4100192154878566
Energy: 2.034462172056718
Energy: 1.471902994284186
Energy: 2.135575394339127
Energy: 1.471902994283501
Energy: 1.987626380621612
Energy: 1.4117403390551118
Energy: 1.408685566715639
Energy: 1.4117403390530565
Energy: 2.0813923545335413
Energy: 1.4067248268343093
Energy: 1.4079604775022823
Energy: 1.4067248268343093
Energy: 1.8235155772801674
Energy: 1.4110855329260057
Energy: 1.49925066378875
Energy: 1.4110855329246357

minimum gb energy = 1.392568820447737 eV
minimum distance =  2.23111910355661 Angstroms
sigma value = 89


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

Energy: 2.296786952793566
Energy: 1.354565014294828
Energy: 1.2894409268314906
Energy: 1.2895317811809757
Energy: 2.1402588084856142
Energy: 1.289273863202753
Energy: 1.7203681522814567
Energy: 1.289273863202753
Energy: 1.2778101158043111
Energy: 1.4257264575463018
Energy: 1.7388720585208857
Energy: 1.4257264575480941
Energy: 1.279280577937821
Energy: 1.4277124793604856
Energy: 1.4034727597207426
Energy: 1.427712479362278
Energy: 1.3277012800089154
Energy: 1.2897262477294662
Energy: 1.731704623107597
Energy: 1.2897262477294662
Energy: 1.2894740652362708
Energy: 1.2898745995896548
Energy: 1.7295863761745598
Energy: 1.2898745995896548
Energy: 1.2873967928901413
Energy: 1.2882050766118667
Energy: 1.4053037719935064
Energy: 1.2882050766100739
Energy: 1.2903704237699412
Energy: 1.290496402808203
Energy: 2.1404692110205694
Energy: 1.290496402808203
Energy: 1.7202643721296405
Energy: 1.4268184173852214
Energy: 2.1421718392376325
Energy: 1.4268184173852214
Energy: 1.794691845522239
Energy: 1.4287216524455713
Energy: 1.745372355640337
Energy: 1.4287216524455713
Energy: 1.4041558392492124
Energy: 1.426079965678062
Energy: 1.2768815357780854
Energy: 1.426079965678062
Energy: 1.7293408804626553
Energy: 1.2907194605424386
Energy: 1.4053465942104315
Energy: 1.2907194605406462
Energy: 1.731371675599944
Energy: 1.291192018602176
Energy: 1.2904990313196738
Energy: 1.291192018602176
Energy: 1.4040388903694743
Energy: 1.2873277418144315
Energy: 1.2853084140780051
Energy: 1.2873277418144315
Energy: 2.1416450783173038
Energy: 1.2903143026713135
Energy: 1.290386083701119
Energy: 1.2903143026713135

minimum gb energy = 1.2768815357780854 eV
minimum distance =  2.25266356977693 Angstroms
sigma value = 13


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

Energy: 2.046418548401254
Energy: 1.2727889306999371
Energy: 1.699047393551877
Energy: 1.6938478198015587
Energy: 1.9775319800814561
Energy: 1.2415764036925643
Energy: 1.478422924799525
Energy: 1.2415764036925643
Energy: 1.9846313338607173
Energy: 1.2417706947823985
Energy: 1.4393038395458029
Energy: 1.2417706947823985
Energy: 1.6246348630959178
Energy: 1.3386414960306179
Energy: 1.5044521841148233
Energy: 1.3386414960306179
Energy: 1.8368118987553859
Energy: 1.3338409836684326
Energy: 1.873304828856514
Energy: 1.3338409836669303
Energy: 1.4741298830395895
Energy: 1.2429434690851857
Energy: 1.8719809054974121
Energy: 1.2429434690851857
Energy: 1.4742936487189167
Energy: 1.2425571477347193
Energy: 1.8443802438195989
Energy: 1.2425571477369732
Energy: 1.3167201931392922
Energy: 1.2808452537318957
Energy: 2.156907536516397
Energy: 1.2808452537341497
Energy: 1.252355411832465
Energy: 1.2439667963548582
Energy: 2.122698873108249
Energy: 1.2439667963495988
Energy: 1.2468120308406332
Energy: 1.2415659765415048
Energy: 2.121274893627079
Energy: 1.2415659765452616
Energy: 1.2420966650697347
Energy: 1.2490707813640003
Energy: 2.0476687994649354
Energy: 1.2490707813700106
Energy: 1.863836704632303
Energy: 1.2415355651649793
Energy: 1.838858740284855
Energy: 1.2415355651642284
Energy: 1.8766134724046963
Energy: 1.32295490566062
Energy: 1.865012220273848
Energy: 1.32295490566062
Energy: 1.828241576698444
Energy: 1.2402680121302172
Energy: 1.6267339410537973
Energy: 1.2402680121287146
Energy: 2.0817757500903418
Energy: 1.2431330408225256
Energy: 1.7108217685314149
Energy: 1.2431330408202714
Energy: 2.090647998192408
Energy: 1.2442171234074055
Energy: 1.2590143092540937
Energy: 1.2442171234126649
Energy: 1.84773153943512
Energy: 1.2416717188479316
Energy: 1.2424992981502205
Energy: 1.2416717188501856
Energy: 2.0498198621696355
Energy: 1.2435601878075135
Energy: 1.252505511596199
Energy: 1.243560187810519
Energy: 2.220844720682062
Energy: 1.2437600989384696
Energy: 1.5113500310176091
Energy: 1.2437600989362159
Energy: 2.12147600526557
Energy: 1.2401022267675412
Energy: 1.4343516949111905
Energy: 1.2401022267697952
Energy: 1.6207696523935822
Energy: 1.2468092431302478
Energy: 1.505341449045541
Energy: 1.2468092431325015
Energy: 1.833316340986362
Energy: 1.328816603742365
Energy: 1.8706592725649893
Energy: 1.3288166037416138
Energy: 1.4823714342612764
Energy: 1.2428705280248125
Energy: 1.8410185072526244
Energy: 1.2428705280293202
Energy: 1.2437581279740346
Energy: 1.2403585655454814
Energy: 1.8375830254273926
Energy: 1.2403585655417249
Energy: 1.4631533708533726
Energy: 1.279080213981155
Energy: 2.152855166365743
Energy: 1.2790802139819064
Energy: 1.28272340695568
Energy: 1.2783772874154566
Energy: 2.1442672018329625
Energy: 1.2783772874192134
Energy: 1.2410871429297148
Energy: 1.240294892852408
Energy: 1.8402674515286743
Energy: 1.2402948928509054
Energy: 1.2414132966166465
Energy: 1.2455530226680607
Energy: 2.0519071780071485
Energy: 1.2455530226718174
Energy: 1.7884229128253937
Energy: 1.2421541835136871
Energy: 2.2634428045707824
Energy: 1.2421541835114331
Energy: 1.4331706746983615
Energy: 1.3284224457295828
Energy: 1.842797596607322
Energy: 1.328422445732588
Energy: 1.8475673514228002
Energy: 1.3349674863017273
Energy: 1.622955251240871
Energy: 1.3349674863009762
Energy: 2.0897117646917516
Energy: 1.2427226511537441
Energy: 1.8441281547273545
Energy: 1.2427226511552465
Energy: 2.0812447413560533
Energy: 1.244126115556334
Energy: 1.2571305013855427
Energy: 1.2441261155540801
Energy: 1.8520893230745108
Energy: 1.2402324259569029
Energy: 1.2411992721831135
Energy: 1.2402324259591566
Energy: 2.224604521328434
Energy: 1.241684549822047
Energy: 1.249833770802431
Energy: 1.241684549822047

minimum gb energy = 1.2401022267675412 eV
minimum distance =  2.24647383780853 Angstroms
sigma value = 37


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

Energy: 2.0019913218167322
Energy: 1.2565964356365646
Energy: 1.1721923436710875
Energy: 1.1693150006323865
Energy: 2.1695198786620216
Energy: 1.1707569642710378
Energy: 1.4979561427276933
Energy: 1.1707569642723303
Energy: 1.8994949414792353
Energy: 1.169081384679966
Energy: 1.5030357344844927
Energy: 1.169081384679966
Energy: 1.9604723882662003
Energy: 1.3141623844046273
Energy: 1.7533780471418512
Energy: 1.3141623844046273
Energy: 1.829893735357607
Energy: 1.3137736489558522
Energy: 1.631999058284731
Energy: 1.3137736489558522
Energy: 1.3004428799392975
Energy: 1.1598711648938618
Energy: 1.8960112534485074
Energy: 1.159871164895154
Energy: 1.300432855534529
Energy: 1.1608004344072473
Energy: 1.7612115246989217
Energy: 1.1608004344072473
Energy: 1.388136834698566
Energy: 1.1366306412629497
Energy: 2.149157886327498
Energy: 1.1366306412629497
Energy: 1.3094585310873226
Energy: 1.1630218919655115
Energy: 2.1500448413507827
Energy: 1.1630218919655115
Energy: 1.3183215610280143
Energy: 1.1338331607312218
Energy: 1.7599897634031936
Energy: 1.1338331607312218
Energy: 1.4407469574453133
Energy: 1.4411875115630832
Energy: 1.796649982354346
Energy: 1.441187511561791
Energy: 1.6343940685828031
Energy: 1.1337660866938422
Energy: 1.7596766271432818
Energy: 1.1337660866938422
Energy: 1.6466318723652071
Energy: 1.1595684809663738
Energy: 1.8997184506206068
Energy: 1.159568480965081
Energy: 1.650208688273025
Energy: 1.2730547764131979
Energy: 1.9618722171971268
Energy: 1.2730547764131979
Energy: 1.6319990582860238
Energy: 1.3034164777060857
Energy: 1.761163752360783
Energy: 1.303416477704793
Energy: 1.8960112534485074
Energy: 1.3032579933241424
Energy: 1.5275355095540024
Energy: 1.3032579933241424
Energy: 1.8308355000261904
Energy: 1.169070554965331
Energy: 1.300439284828064
Energy: 1.1690705549640383
Energy: 2.149157886337839
Energy: 1.1699218420622144
Energy: 1.160539717316639
Energy: 1.1699218420635071
Energy: 2.1500448413507827
Energy: 1.1738997461063796
Energy: 1.1699260498604727
Energy: 1.1738997461063796
Energy: 2.0738326725894565
Energy: 1.1708809537838336
Energy: 1.17023985567868
Energy: 1.1708809537838336

minimum gb energy = 1.1337660866938422 eV
minimum distance =  2.23036498029744 Angstroms
sigma value = 25


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

Energy: 2.2901807321867054
Energy: 1.1126928870426473
Energy: 1.0396592221023173
Energy: 1.0353657915402594
Energy: 2.0627411859132625
Energy: 1.0369486717418674
Energy: 1.2960415459971937
Energy: 1.0369486717408583
Energy: 2.08384665821287
Energy: 1.0358492040068326
Energy: 1.2866485751376817
Energy: 1.0358492040078422
Energy: 1.6741672213343473
Energy: 1.0399558680187
Energy: 1.593413430927088
Energy: 1.0399558680166812
Energy: 1.9621106494102536
Energy: 1.1486113786359946
Energy: 1.8056389386973808
Energy: 1.1486113786349852
Energy: 1.6736943748567874
Energy: 1.147603275387904
Energy: 1.7899689118008124
Energy: 1.147603275387904
Energy: 1.6690488753601591
Energy: 1.032305355712342
Energy: 1.9075060852712182
Energy: 1.0323053557113326
Energy: 1.3029337522326254
Energy: 1.032699820327674
Energy: 1.8786648059290336
Energy: 1.0326998203266646
Energy: 1.3021016156900929
Energy: 1.035024007672506
Energy: 2.18215430099943
Energy: 1.035024007672506
Energy: 1.3053696448532315
Energy: 1.0323248471926243
Energy: 1.982177091180536
Energy: 1.0323248471936335
Energy: 1.14871391210655
Energy: 1.0324289483333846
Energy: 1.974420199857049
Energy: 1.0324289483343938
Energy: 1.16082755245472
Energy: 1.03346060636273
Energy: 1.9821518801037257
Energy: 1.0334606063647487
Energy: 1.1600220680970932
Energy: 1.0206133882417712
Energy: 1.994923213107072
Energy: 1.0206133882417712
Energy: 1.2206375960669273
Energy: 1.0180132574130507
Energy: 1.940083514495515
Energy: 1.0180132574140601
Energy: 1.405868408459474
Energy: 1.0182307975876492
Energy: 1.949991488594923
Energy: 1.0182307975876492
Energy: 1.4008008164735923
Energy: 1.0341226653265267
Energy: 2.0504953072056598
Energy: 1.034122665327536
Energy: 1.7691647897821
Energy: 1.0341870624865952
Energy: 2.0791124768741973
Energy: 1.0341870624845761
Energy: 1.3972467578510341
Energy: 1.1496551725562465
Energy: 1.7440254687768344
Energy: 1.149655172558265
Energy: 1.7831366470488057
Energy: 1.147515133398673
Energy: 1.6697711464173652
Energy: 1.147515133398673
Energy: 1.9677092036150028
Energy: 1.1445277202321156
Energy: 1.6667408254748803
Energy: 1.144527720233125
Energy: 1.9759840840685954
Energy: 1.0399834612832746
Energy: 1.297119064059444
Energy: 1.0399834612863026
Energy: 2.16440213354076
Energy: 1.0349172089425553
Energy: 1.1488720318226215
Energy: 1.034917208941546
Energy: 2.03998304542874
Energy: 1.0393254555180511
Energy: 1.2984437429376274
Energy: 1.03932545552007
Energy: 1.9778440135557034
Energy: 1.03639198474382
Energy: 1.0366422774182706
Energy: 1.03639198474382
Energy: 1.9676171673870178
Energy: 1.0365909067945498
Energy: 1.038587347990048
Energy: 1.0365909067945498
Energy: 2.040694600495888
Energy: 1.0518696492438835
Energy: 1.046895614897804
Energy: 1.0518696492438835

minimum gb energy = 1.0180132574130507 eV
minimum distance =  2.23550989875031 Angstroms
sigma value = 41


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

Energy: 2.3294326510208725
Energy: 0.9941372046001029
Energy: 0.9346003871014076
Energy: 0.9336046136534727
Energy: 2.2293090650133762
Energy: 0.929293722098696
Energy: 1.1438509559862922
Energy: 0.9292937220995235
Energy: 2.0841865519632647
Energy: 0.9289382352588264
Energy: 1.1394482200487104
Energy: 0.9289382352588264
Energy: 1.7193779053252973
Energy: 0.9349003915560832
Energy: 1.5365447867363886
Energy: 0.9349003915544282
Energy: 2.053592847449738
Energy: 0.9277125435086667
Energy: 1.5552523708449066
Energy: 0.9277125435094943
Energy: 1.7502776896544707
Energy: 1.293789093516474
Energy: 1.5489515353947223
Energy: 1.2937890935173015
Energy: 1.7618320675046377
Energy: 1.0246483811861284
Energy: 1.8842922255620014
Energy: 1.0246483811861284
Energy: 1.7297859209307984
Energy: 1.0230083093125717
Energy: 1.5784021739594047
Energy: 1.0230083093117441
Energy: 1.3421169230713417
Energy: 1.2930355026117621
Energy: 1.9173607862524722
Energy: 1.2930355026117621
Energy: 1.3466179329356536
Energy: 0.9277275315611903
Energy: 2.0762651236347565
Energy: 0.9277275315603628
Energy: 1.1437454471701651
Energy: 0.9361385634036261
Energy: 2.07391080169624
Energy: 0.9361385634019711
Energy: 1.1325438882748176
Energy: 0.9291509932449438
Energy: 2.239204569259831
Energy: 0.9291509932457713
Energy: 1.1497943902213799
Energy: 0.9316124563095172
Energy: 2.2379209097027384
Energy: 0.9316124563095172
Energy: 0.929576955616166
Energy: 0.9347429039533061
Energy: 1.8822992527946871
Energy: 0.9347429036827809
Energy: 0.9325824302891088
Energy: 0.9293617433101956
Energy: 2.0533436507207625
Energy: 0.9293617433110233
Energy: 0.9373287363306241
Energy: 0.9309693876166688
Energy: 2.0907853920625614
Energy: 0.9309693876158412
Energy: 1.1516601497578256
Energy: 0.9339189635237102
Energy: 2.045781965538168
Energy: 0.9339189635261927
Energy: 1.1309546615649713
Energy: 0.9276802221277999
Energy: 2.051319744626483
Energy: 0.927680222129455
Energy: 1.1296366483306015
Energy: 0.9323013630516227
Energy: 1.7267242386619006
Energy: 0.9323013630507953
Energy: 1.5379763890061302
Energy: 0.9307822082471989
Energy: 1.7240725229641811
Energy: 0.9307822082480265
Energy: 1.5757589701970856
Energy: 0.9312059412280761
Energy: 1.8862153192274174
Energy: 0.9312059412272485
Energy: 1.5391852720917412
Energy: 0.9311390708526911
Energy: 1.76373134266809
Energy: 0.9311390708634488
Energy: 1.9176829734309533
Energy: 1.0194735289911034
Energy: 1.748071102777495
Energy: 1.0194735289919308
Energy: 1.5380979146384004
Energy: 1.020859892985292
Energy: 1.540885482615633
Energy: 1.020859892985292
Energy: 1.8851949371395302
Energy: 0.9299396041908116
Energy: 1.3309813588489947
Energy: 0.9299396041883289
Energy: 1.9216977601920349
Energy: 0.9302192985792453
Energy: 1.5525136727971125
Energy: 0.9302192985792453
Energy: 1.9260451228587203
Energy: 0.9327458244273653
Energy: 1.147490392934242
Energy: 0.9327458244273653
Energy: 2.0526153748014004
Energy: 1.1315679279341544
Energy: 1.1291010166864468
Energy: 1.1315679279283615
Energy: 1.8849491990449079
Energy: 0.937127930268491
Energy: 1.1431085820819293
Energy: 0.9371279302676635
Energy: 1.8916238326171053
Energy: 0.9346258614053522
Energy: 0.9292302735185551
Energy: 0.9346258614061798
Energy: 2.219512176006653
Energy: 0.929276490740561
Energy: 0.9314942344629884
Energy: 0.9292764907413884
Energy: 2.046560498261499
Energy: 0.9364602600037977
Energy: 0.9295642601636519
Energy: 0.9364602600046252

minimum gb energy = 0.9276802221277999 eV
minimum distance =  2.24764259197638 Angstroms
sigma value = 15


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

Energy: 2.023215901243321
Energy: 0.9160194816157601
Energy: 0.8614058066940664
Energy: 0.8621232349374355
Energy: 2.2740667279245357
Energy: 0.8589883472889716
Energy: 1.0342013181146361
Energy: 0.8589883472875695
Energy: 2.150974738227186
Energy: 0.8569045416472622
Energy: 1.033335777730708
Energy: 0.8569045416451591
Energy: 1.8814913381644074
Energy: 0.8618648633740453
Energy: 1.3930356802890869
Energy: 0.8618648633747462
Energy: 1.9888544356207567
Energy: 0.853661709823348
Energy: 1.3878093459836058
Energy: 0.8536617098380697
Energy: 1.8625725621539195
Energy: 0.8611558404925626
Energy: 1.3759806581348115
Energy: 0.8611558404925626
Energy: 1.5496788553459282
Energy: 0.8559401448304379
Energy: 1.692949748635854
Energy: 0.8559401448283347
Energy: 1.7025938498255089
Energy: 0.9400815182102664
Energy: 1.3975362094799617
Energy: 0.9400815182137715
Energy: 1.5669826507829245
Energy: 0.9322429778615166
Energy: 1.7106658173113936
Energy: 0.9322429778608154
Energy: 1.5647349827832577
Energy: 0.933157891419449
Energy: 2.000807700569131
Energy: 0.9331578914229542
Energy: 1.3785874560897766
Energy: 0.8568600243307628
Energy: 1.8121810883166556
Energy: 0.856860024333567
Energy: 1.1974004177790356
Energy: 0.8544196571335636
Energy: 2.0009787675010138
Energy: 0.8544196571322252
Energy: 1.3889934689820178
Energy: 0.8555746731286742
Energy: 2.0044189651720306
Energy: 0.8555746731272721
Energy: 1.0339770613508603
Energy: 0.8624193405233723
Energy: 1.700124409985374
Energy: 0.8624193405212692
Energy: 1.0266743005802903
Energy: 0.854611395365941
Energy: 2.263424788978866
Energy: 0.8546113953652399
Energy: 1.0485159083285618
Energy: 0.860054764297117
Energy: 2.0092140237414653
Energy: 0.8600547642978179
Energy: 0.8558315398907422
Energy: 0.8628814083364057
Energy: 1.9843224678104259
Energy: 0.8628814083371067
Energy: 0.8552257401185871
Energy: 0.8562192571276825
Energy: 2.1176399270640442
Energy: 0.8562192571269815
Energy: 0.8560509050527518
Energy: 0.8598475049254116
Energy: 1.8653016847385555
Energy: 0.8598475049247105
Energy: 1.033362668793832
Energy: 0.8583804671921763
Energy: 2.1215800922753023
Energy: 0.8583804671921763
Energy: 1.022883350374691
Energy: 0.8550980000159087
Energy: 2.1192535401711847
Energy: 0.8550980000159087
Energy: 1.0227824496179287
Energy: 0.8609841044445022
Energy: 1.873371136001396
Energy: 0.8609841044431
Energy: 1.3772504152520568
Energy: 0.8557923504520125
Energy: 1.8579617868729579
Energy: 0.8557923504520125
Energy: 1.3834032248292185
Energy: 0.8577992168586541
Energy: 1.9772748661357922
Energy: 0.8577992168516437
Energy: 1.3934539639844585
Energy: 0.8624896127941422
Energy: 1.598503790899452
Energy: 0.8624896127948432
Energy: 1.715977279666079
Energy: 0.9327946106478865
Energy: 1.988874025135459
Energy: 0.9327946106380721
Energy: 1.3732731461243939
Energy: 0.9329549439820903
Energy: 1.701325101122507
Energy: 0.9329549439841933
Energy: 1.7025471422493748
Energy: 0.9339380505120128
Energy: 1.6002009375878232
Energy: 0.9339380505106109
Energy: 1.7202041347136838
Energy: 0.8617927488159208
Energy: 1.6934608048762203
Energy: 0.8617927488187248
Energy: 1.7134505853949296
Energy: 0.855203097961689
Energy: 1.3770070653577904
Energy: 0.855203097963091
Energy: 1.9880948251826978
Energy: 0.8535119144106844
Energy: 1.1975534522045104
Energy: 0.8535119144127875
Energy: 1.7027822542743587
Energy: 0.8610276174473958
Energy: 1.3905874212581966
Energy: 0.8610276174466946
Energy: 2.005421545744041
Energy: 0.8576142325385079
Energy: 1.0348441283067595
Energy: 0.8576142325385079
Energy: 2.1225166667591835
Energy: 0.8583041302009138
Energy: 1.0378236325267352
Energy: 0.8583041302009138
Energy: 2.2434757670505983
Energy: 0.8679259942471559
Energy: 0.9193531837638541
Energy: 0.867925994246455
Energy: 2.2807283946159402
Energy: 0.8573944081267524
Energy: 0.862758991547033
Energy: 0.8573944081267524
Energy: 2.1448760746387148
Energy: 0.8579466184573796
Energy: 0.8644927422089205
Energy: 0.8579466184573796

minimum gb energy = 0.8535119144106844 eV
minimum distance =  2.24336592584653 Angstroms
sigma value = 85


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

Energy: 2.156800896353855
Energy: 0.8730185487433142
Energy: 0.778357532453036
Energy: 0.7754082984764766
Energy: 2.148327273627869
Energy: 0.7771599630969477
Energy: 0.9217991534420703
Energy: 0.7771599630969477
Energy: 1.9234880882087153
Energy: 0.7764020476009551
Energy: 0.9210125580385192
Energy: 0.7764020476027792
Energy: 1.6602145222467495
Energy: 0.774875344086866
Energy: 1.234302251753374
Energy: 0.7748753440862579
Energy: 2.0291575339127745
Energy: 0.7748977671140458
Energy: 1.2412704825998881
Energy: 0.7748977671140458
Energy: 1.6625768690866967
Energy: 0.7751710308526696
Energy: 1.2348220142801432
Energy: 0.7751710308544936
Energy: 1.6608756263586835
Energy: 0.7752357700853811
Energy: 1.5197518249581095
Energy: 0.7752357700853811
Energy: 1.780802899407876
Energy: 0.7750931632008434
Energy: 1.2439171877221447
Energy: 0.7750931631242626
Energy: 1.663694626672388
Energy: 0.7746342822258409
Energy: 1.535202840040766
Energy: 0.7746342822258409
Energy: 1.6677037288712433
Energy: 1.115193774770733
Energy: 1.795980471239518
Energy: 1.115193774770733
Energy: 1.5187308538187607
Energy: 0.7747348394186232
Energy: 1.601096372452386
Energy: 0.7747348394277433
Energy: 1.4054395597276843
Energy: 0.7753799181324798
Energy: 1.7965381575306762
Energy: 0.7753799181318718
Energy: 1.5314236713364435
Energy: 0.7748320946434619
Energy: 1.7942482515888853
Energy: 0.7748320946452859
Energy: 1.2339551470534926
Energy: 0.7753781847261232
Energy: 1.5422712076309553
Energy: 0.7753781847261232
Energy: 1.0677403663149159
Energy: 0.7746061740669686
Energy: 2.02733375805207
Energy: 0.7746061740663607
Energy: 1.2372065780604729
Energy: 0.7771489737987956
Energy: 1.794068470365665
Energy: 0.7771489738000116
Energy: 0.9307294258155355
Energy: 0.7788652976998057
Energy: 1.782077693832732
Energy: 0.7788652976998057
Energy: 0.9212730078092252
Energy: 0.7751237858899996
Energy: 2.1501834950136174
Energy: 0.7751237858912157
Energy: 0.9309152396246139
Energy: 0.7751379586972035
Energy: 2.0215093111251106
Energy: 0.7751379586972035
Energy: 0.7756867856046132
Energy: 0.7756477659411444
Energy: 2.02141476740744
Energy: 0.7756477659405363
Energy: 0.7761814764136056
Energy: 0.7753415373516201
Energy: 2.1509420406760706
Energy: 0.7753415373516201
Energy: 0.77572791134954
Energy: 0.7759388668064998
Energy: 1.8993327124658845
Energy: 0.7759388668058917
Energy: 0.931564968222968
Energy: 0.775230195518094
Energy: 2.144199645078112
Energy: 0.7752301955174862
Energy: 0.9248645927258851
Energy: 0.7750321868881815
Energy: 2.151013308670477
Energy: 0.7750321868875735
Energy: 0.9221249709304036
Energy: 0.7750034050271816
Energy: 1.7809727207371124
Energy: 0.7750034050265736
Energy: 1.243050462263371
Energy: 0.7753264342370114
Energy: 2.1785517539100083
Energy: 0.7753264342370114
Energy: 1.241330676939628
Energy: 0.7749104193828119
Energy: 1.9245883167899118
Energy: 0.7749104193828119
Energy: 1.5180261689785643
Energy: 0.775857076781051
Energy: 1.7853476697360169
Energy: 0.775857076779835
Energy: 1.5369453231669643
Energy: 0.7754487960786831
Energy: 1.9167418025047225
Energy: 0.7754487960780752
Energy: 1.5342986468258093
Energy: 0.7764724728642097
Energy: 1.6639685532687016
Energy: 0.7764724728222852
Energy: 1.7817112928748442
Energy: 1.1218210857630342
Energy: 1.4207980014185517
Energy: 1.121821085761818
Energy: 1.5326192952588213
Energy: 0.774765079862644
Energy: 1.6673604730422773
Energy: 0.774765079861428
Energy: 1.7959097245926356
Energy: 0.7761231103104024
Energy: 1.400373824362364
Energy: 0.7761231103104024
Energy: 2.037243481339327
Energy: 0.775472768214508
Energy: 1.4017412229588677
Energy: 0.775472768223628
Energy: 1.5981380278154014
Energy: 0.7766444128097306
Energy: 1.2334280648104547
Energy: 0.7766444128109466
Energy: 2.0521983833553756
Energy: 0.7744691917856358
Energy: 1.241136946544289
Energy: 0.7744691917856358
Energy: 2.0506518303942682
Energy: 0.7753865040940348
Energy: 1.240335947982937
Energy: 0.7753865040934268
Energy: 1.7920279188505404
Energy: 0.7748783625512526
Energy: 0.9221301808549547
Energy: 0.7748783625512526
Energy: 2.2915577960431825
Energy: 0.7747922417040183
Energy: 0.923472080472556
Energy: 0.7747922417034102
Energy: 2.0229813479387504
Energy: 0.7809384862281048
Energy: 0.9315081293195744
Energy: 0.7809384862281048
Energy: 1.7719780118501471
Energy: 0.7751927069367051
Energy: 0.7755622944933536
Energy: 0.7751927069373129
Energy: 2.150882505773115
Energy: 0.7757358110748341
Energy: 0.7756113650707929
Energy: 0.7757358110748341
Energy: 1.9005290248054352
Energy: 0.7756075954614027
Energy: 0.7753619029457955
Energy: 0.7756075954614027

minimum gb energy = 0.7744691917856358 eV
minimum distance =  2.24924277598328 Angstroms
sigma value = 113


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

Energy: 0.020466031021890648
Energy: 0.02163982444622153
Energy: 1.7016339026543763
Energy: 0.7594247790508821
Energy: 0.021822006257536115
Energy: 0.17753377980432913
Energy: 1.1183088194268893
Energy: 0.17753377980432913
Energy: 0.02126410417574937
Energy: 0.17488462460829252
Energy: 1.1158278910286512
Energy: 0.17488462460829252
Energy: 0.023114936998125564
Energy: 0.17527489130411442
Energy: 1.112577503918879
Energy: 0.17527489130458182
Energy: 1.1174056986010485
Energy: 0.17507087445588737
Energy: 1.1166319340446307
Energy: 0.1750708744549526
Energy: 0.021294986255885592
Energy: 0.17455627864557427
Energy: 1.1158045574693052
Energy: 0.17455627864557427

minimum gb energy = 0.020466031021890648 eV
minimum distance =  2.45865481205926 Angstroms
sigma value = 1