Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_001
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=4.450350014972497
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: 0.01808958665183755
Energy: 0.01836934504381944
Energy: 1.1254327053536117
Energy: 0.16010889697217595
Energy: 0.018369345043195158
Energy: 2.2538265113844096
Energy: 0.16010889697217595
Energy: 2.253826511385071
Energy: 1.1254327053536117
Energy: 0.16010889697217595
Energy: 0.01808958665183755
Energy: 0.018369345043195158
Energy: 0.16010889697217595
Energy: 2.253826511385071
Energy: 0.01836934504381944
Energy: 2.253826511385071

minimum gb energy = 0.01808958665183755 eV
minimum distance =  2.4493326558623 Angstroms
sigma value = 1


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

Energy: 2.06535249957791
Energy: 1.317805031404785
Energy: 1.4323621137539302
Energy: 1.4313052324986455
Energy: 1.3617006092154673
Energy: 1.445127033064505
Energy: 1.337286511347977
Energy: 1.445127033064505
Energy: 1.431801275722809
Energy: 1.4313968369302057
Energy: 2.240110600704582
Energy: 1.431396836929404
Energy: 1.343295953116099
Energy: 1.3374772816444764
Energy: 1.3377823025099191
Energy: 1.337477281643675
Energy: 1.919872671718094
Energy: 1.3391904521207985
Energy: 1.336677328251709
Energy: 1.3391904521207985
Energy: 1.4246929508289663
Energy: 1.482411407399147
Energy: 1.3514112052212772
Energy: 1.482411407399147
Energy: 1.4510387653644854
Energy: 1.4519573369384915
Energy: 1.9208809441582102
Energy: 1.4519573369384915
Energy: 1.3947202313491058
Energy: 1.3957649525491114
Energy: 1.455884448169929
Energy: 1.3957649525491114
Energy: 1.6546835614115616
Energy: 1.5260161744534309
Energy: 1.4936699373628262
Energy: 1.5260161744534309
Energy: 1.449939989668436
Energy: 1.5010372028042736
Energy: 1.4085857335109466
Energy: 1.5010372028042736
Energy: 1.4043270141927666
Energy: 1.5263902542861338
Energy: 1.6547532838852907
Energy: 1.526390254285405
Energy: 1.3954244480346052
Energy: 1.5278503148027092
Energy: 1.4599407269377784
Energy: 1.5278503148027092
Energy: 1.4487106299256403
Energy: 1.4516868284252604
Energy: 1.3777681584600272
Energy: 1.4516868284252604
Energy: 1.426405802175753
Energy: 1.4512639092935251
Energy: 1.4140455018036089
Energy: 1.4512639092943271
Energy: 1.377077685333759
Energy: 1.339019136910689
Energy: 1.3379614764314387
Energy: 1.339019136910689
Energy: 1.3874788564124059
Energy: 1.3378840345836838
Energy: 1.3386472032061627
Energy: 1.3378840345828824
Energy: 1.433622915308186
Energy: 1.4311223686567003
Energy: 1.3109210763666659
Energy: 1.4311223686558983
Energy: 1.3381614236227584
Energy: 1.3429343921791115
Energy: 1.3606311783345342
Energy: 1.342934392179913
Energy: 1.348890207143574
Energy: 1.4311443777137405
Energy: 1.4349890914724854
Energy: 1.431144377714542
Energy: 1.4213769297183991
Energy: 1.4456700030076854
Energy: 1.343797520060737
Energy: 1.4456700030076854
Energy: 1.337347342438627
Energy: 1.3445313665025316
Energy: 1.9195462113430952
Energy: 1.3445313665025316
Energy: 1.351515164100635
Energy: 1.3498660088290695
Energy: 1.4252996929733373
Energy: 1.3498660088306726
Energy: 1.9214086477127414
Energy: 1.4517572054029189
Energy: 1.3934398087822133
Energy: 1.4517572054029189
Energy: 1.4564758102113502
Energy: 1.462126389815564
Energy: 1.3971481577698084
Energy: 1.462126389815564
Energy: 1.4077216363581846
Energy: 1.5274580249185579
Energy: 1.6539333876170637
Energy: 1.5274580249177563
Energy: 1.4113443310361202
Energy: 1.5267270049651627
Energy: 1.4522345898236357
Energy: 1.5267270049651627
Energy: 1.6557794361749736
Energy: 1.5275316029634087
Energy: 1.404983121196275
Energy: 1.5275316029634087
Energy: 1.457070855520024
Energy: 1.5235737622735686
Energy: 1.3959851847724516
Energy: 1.523573762272767
Energy: 1.3782219913872762
Energy: 1.4516438757546035
Energy: 1.4488034096525393
Energy: 1.4516438757546035
Energy: 1.4140847478548062
Energy: 1.4514859666219924
Energy: 1.4234605596311731
Energy: 1.4514859666211908
Energy: 1.3368942441253686
Energy: 1.3395360921388262
Energy: 1.377660283887065
Energy: 1.3395360921380244
Energy: 1.3383802168752919
Energy: 1.337700625719723
Energy: 1.387428538247358
Energy: 1.3377006257205248
Energy: 1.3106876989647178
Energy: 1.3424853902400633
Energy: 1.4321598191034246
Energy: 1.3424853902392617

minimum gb energy = 1.3106876989647178 eV
minimum distance =  2.23439565500687 Angstroms
sigma value = 1


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

Energy: 2.3289251306452683
Energy: 1.3741120351892513
Energy: 1.5043253367890383
Energy: 1.5048573218479449
Energy: 1.4376842341305587
Energy: 1.512012670480533
Energy: 1.402043709034275
Energy: 1.5120126704814472
Energy: 1.5053791067843678
Energy: 1.505722131668074
Energy: 2.1407215890296887
Energy: 1.505722131668988
Energy: 1.4083691726881937
Energy: 1.4015813111146602
Energy: 1.4012759293886934
Energy: 1.4015813111192301
Energy: 2.141453634890777
Energy: 1.4025915029083178
Energy: 1.401792654451056
Energy: 1.402591502909232
Energy: 1.5028442163723648
Energy: 1.5611170147120494
Energy: 1.4159626982892164
Energy: 1.5611170147147915
Energy: 1.4742903237352099
Energy: 1.5364513533102349
Energy: 1.801339090759357
Energy: 1.536451353311149
Energy: 1.465026583242297
Energy: 1.4651296060127217
Energy: 1.536696667795018
Energy: 1.4651296060127217
Energy: 1.8034178062727317
Energy: 1.6086068601061945
Energy: 1.6549176454651318
Energy: 1.6086068601052803
Energy: 1.5387683355158648
Energy: 1.5791693626838332
Energy: 1.4657625567366186
Energy: 1.5791693626820054
Energy: 1.4486515817904344
Energy: 1.5363355032561032
Energy: 1.5440214694823369
Energy: 1.5363355032570172
Energy: 1.4907804531362623
Energy: 1.5362832641458688
Energy: 1.5038328663175287
Energy: 1.5362832641431265
Energy: 1.4031940858882437
Energy: 1.4025299567908736
Energy: 1.9510805344442048
Energy: 1.4025299567908736
Energy: 1.401659938005043
Energy: 1.4016893375895463
Energy: 1.456066203255652
Energy: 1.4016893375886323
Energy: 1.3667789912324766
Energy: 1.5053928415884201
Energy: 1.504331957270433
Energy: 1.5053928415893343
Energy: 1.4329002766960783
Energy: 1.4091170952878214
Energy: 1.4017247772317685
Energy: 1.4091170952887353
Energy: 1.504841012839908
Energy: 1.50520542838925
Energy: 1.4136709517360229
Energy: 1.50520542838925
Energy: 1.4088166912627844
Energy: 1.514246195587686
Energy: 1.5023262562316104
Energy: 1.514246195587686
Energy: 1.414803317685515
Energy: 1.4094088932555722
Energy: 1.403105860474222
Energy: 1.4094088932564863
Energy: 1.5040848628920749
Energy: 1.4024048990231106
Energy: 1.4171920923494181
Energy: 1.4024048990221967
Energy: 1.4701382305736728
Energy: 1.5369047068156259
Energy: 1.801285606094201
Energy: 1.536904706817454
Energy: 1.4644197187805952
Energy: 1.5368472493741228
Energy: 1.5375209521601867
Energy: 1.536847249375037
Energy: 1.8027160787815384
Energy: 1.6084320150467133
Energy: 1.4725264418699087
Energy: 1.6084320150467133
Energy: 1.5379850702451685
Energy: 1.6081953615609406
Energy: 1.4661885995999364
Energy: 1.6081953615627684
Energy: 1.449312325299662
Energy: 1.5365106239349946
Energy: 1.5428287996100152
Energy: 1.5365106239349946
Energy: 1.491207577999333
Energy: 1.5399359715151166
Energy: 1.5030285019542948
Energy: 1.5399359715132883
Energy: 1.4016008019799773
Energy: 1.4024348659253865
Energy: 1.447941375818574
Energy: 1.4024348659235584
Energy: 1.4027169182914245
Energy: 1.4025775537479281
Energy: 1.4555630123828234
Energy: 1.402577553749756
Energy: 1.3667341694813073
Energy: 1.4089833352818812
Energy: 1.504030627632532
Energy: 1.4089833352818812

minimum gb energy = 1.3667341694813073 eV
minimum distance =  2.23241307708822 Angstroms
sigma value = 25


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

Energy: 2.2067523427128353
Energy: 1.4334612562864257
Energy: 1.5845442835607648
Energy: 1.584313041084805
Energy: 1.5170454941119662
Energy: 1.5814254127218925
Energy: 1.471539052893219
Energy: 1.5814254127218925
Energy: 1.5838612461499795
Energy: 1.5852061542470106
Energy: 2.005736467224444
Energy: 1.5852061542470106
Energy: 1.482141433759846
Energy: 1.472780234073295
Energy: 1.472164037321437
Energy: 1.472780234073295
Energy: 2.0066244919872283
Energy: 1.4722992369091592
Energy: 1.4723159529340677
Energy: 1.4722992369091592
Energy: 1.5864296184127913
Energy: 1.644212666908359
Energy: 1.4838975997878863
Energy: 1.6442126669126094
Energy: 1.5524381844058366
Energy: 1.6371795237457967
Energy: 1.6609439962921633
Energy: 1.6371795237457967
Energy: 1.530638907722089
Energy: 1.6448295191295128
Energy: 1.6308335726329817
Energy: 1.6448295191295128
Energy: 1.661519971634434
Energy: 1.6366651535911552
Energy: 1.8120006233387278
Energy: 1.6366651535911552
Energy: 1.6088948349540575
Energy: 1.6370221046758782
Energy: 1.4839063603517924
Energy: 1.6370221046758782
Energy: 1.423229276781863
Energy: 1.4721791950354917
Energy: 1.4707081057652747
Energy: 1.4721791950354917
Energy: 1.528288750453408
Energy: 1.4720359302741262
Energy: 1.4712416058799629
Energy: 1.472035930273064
Energy: 1.5837970253333282
Energy: 1.5846783160795714
Energy: 1.4215397386914095
Energy: 1.5846783160795714
Energy: 1.4945069126423343
Energy: 1.4824360528720004
Energy: 1.5185542744339648
Energy: 1.4824360528720004
Energy: 2.003709527411997
Energy: 1.5852488032467065
Energy: 1.5859070042792451
Energy: 1.585248803247769
Energy: 1.5976914727485525
Energy: 1.5821104568332265
Energy: 1.4819482664437231
Energy: 1.5821104568332265
Energy: 1.4721205157617536
Energy: 1.4821575543753924
Energy: 2.0057335338229896
Energy: 1.4821575543753924
Energy: 1.486113568487821
Energy: 1.4716571337638913
Energy: 1.5859512126901498
Energy: 1.4716571337628288
Energy: 1.661286990106173
Energy: 1.6369396359932757
Energy: 1.5980448808320653
Energy: 1.6369396359932757
Energy: 1.6325973588180946
Energy: 1.636963401471699
Energy: 1.533026321208624
Energy: 1.6369634014727135
Energy: 1.5243616641535278
Energy: 1.636711892467134
Energy: 1.661090733339091
Energy: 1.636711892467134
Energy: 1.5784154769882819
Energy: 1.642304193886509
Energy: 1.5991880773230052
Energy: 1.642304193886509
Energy: 1.4720350460112446
Energy: 1.4726176895282246
Energy: 1.4250054285928333
Energy: 1.4726176895282246
Energy: 1.4719717662631429
Energy: 1.4720098144815466
Energy: 1.528538721639621
Energy: 1.4720098144815466
Energy: 1.423912977542453
Energy: 1.4825673892826663
Energy: 1.5840006231888315
Energy: 1.4825673892837288

minimum gb energy = 1.4215397386914095 eV
minimum distance =  2.23661217244731 Angstroms
sigma value = 9


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

Energy: 2.0227343341859014
Energy: 1.486706007895721
Energy: 1.668168354297476
Energy: 1.6671039685176097
Energy: 1.6179234389967398
Energy: 1.6436952338352673
Energy: 1.5473699256201319
Energy: 1.6436952338352673
Energy: 1.6676732548884718
Energy: 1.6678136947184865
Energy: 2.3690834158918657
Energy: 1.6678136947159514
Energy: 1.5322685667301148
Energy: 1.5463110921299745
Energy: 1.5467693038486543
Energy: 1.546311092131242
Energy: 1.8199962725320387
Energy: 1.5471602417680317
Energy: 1.5459322486449703
Energy: 1.5471602417680317
Energy: 1.761538196968807
Energy: 1.7993449359167073
Energy: 1.548502963205372
Energy: 1.7993449359167073
Energy: 1.6185171049785148
Energy: 1.7501373486097367
Energy: 1.8245943944943215
Energy: 1.7501373486097367
Energy: 1.5490011186713113
Energy: 1.7617692283624027
Energy: 1.7613697165173836
Energy: 1.7617692283611353
Energy: 1.5457447207453934
Energy: 1.54760528485404
Energy: 1.4704891458011713
Energy: 1.5476052848565751
Energy: 1.546369110850768
Energy: 1.5461775468140138
Energy: 1.6044578909465685
Energy: 1.5461775468140138
Energy: 2.026792658155169
Energy: 1.6665723322799417
Energy: 1.6668572524710181
Energy: 1.6665723322786743
Energy: 1.5845924778619314
Energy: 1.564025715946387
Energy: 1.5471571713069245
Energy: 1.5640257159451194
Energy: 1.6686585811557069
Energy: 1.6677058996216207
Energy: 1.527229285420416
Energy: 1.6677058996216207
Energy: 1.5651785627055435
Energy: 1.6436333842984678
Energy: 1.6640753938806716
Energy: 1.643633384299735
Energy: 1.820675733804486
Energy: 1.5640664172587087
Energy: 1.5506683679252222
Energy: 1.5640664172587087
Energy: 1.7608300382339745
Energy: 1.546746088868516
Energy: 1.5467054800842182
Energy: 1.546746088868516
Energy: 1.6639880637541378
Energy: 1.7502753719854778
Energy: 1.82420810182137
Energy: 1.7502753719854778
Energy: 1.5851639274364628
Energy: 1.7496557985385497
Energy: 1.7595896469853776
Energy: 1.7496557985372823
Energy: 1.5443655866854489
Energy: 1.5489869980116107
Energy: 1.4700483400102746
Energy: 1.5489869980116107
Energy: 1.546823737226126
Energy: 1.5472733387762572
Energy: 1.4701122725313454
Energy: 1.5472733387762572
Energy: 1.4680102073581587
Energy: 1.563920438673976
Energy: 1.667348395873574
Energy: 1.563920438673976

minimum gb energy = 1.4680102073581587 eV
minimum distance =  2.22949086015082 Angstroms
sigma value = 25


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

Energy: 1.7545630053512724
Energy: 1.5155767153841009
Energy: 1.744453736981002
Energy: 1.7439469954598614
Energy: 1.4942580842923439
Energy: 1.6266788159485772
Energy: 1.5453966078109833
Energy: 1.6266788159485772
Energy: 1.7437749902254112
Energy: 1.7448395191673456
Energy: 2.146503883815775
Energy: 1.7448395191673456
Energy: 1.701374190062407
Energy: 1.6281071404077292
Energy: 1.546067221310066
Energy: 1.6281071404077292
Energy: 1.624620940091167
Energy: 1.6325474761580374
Energy: 1.5464263572456147
Energy: 1.6325474761596048
Energy: 1.906659160075015
Energy: 1.6316616898591545
Energy: 1.544841037516512
Energy: 1.6316616898607221
Energy: 1.7605010691639356
Energy: 1.633056685915569
Energy: 1.6289600020489325
Energy: 1.633056685915569
Energy: 1.494458717852488
Energy: 1.7295676677030054
Energy: 1.652807879565756
Energy: 1.7295676677030054
Energy: 1.7427651679464302
Energy: 1.7428799116769316
Energy: 1.8949027139761612
Energy: 1.7428799116769316
Energy: 1.5455239584945433
Energy: 1.5025083920403752
Energy: 1.8945865544797453
Energy: 1.5025083920419426
Energy: 2.1461313962976756
Energy: 1.7446604751872237
Energy: 1.747193677838521
Energy: 1.7446604751872237
Energy: 1.6935709386415592
Energy: 1.6269665462881808
Energy: 1.6998204619488018
Energy: 1.6269665462881808
Energy: 1.5479349689424517
Energy: 1.501669732004029
Energy: 1.6247687123632544
Energy: 1.5016697320055967
Energy: 1.5473711017211902
Energy: 1.6335067991120036
Energy: 1.9081469375996793
Energy: 1.6335067991120036
Energy: 1.6271640743870615
Energy: 1.6306329659672094
Energy: 1.4939761127959865
Energy: 1.6306329659092458
Energy: 1.5449152209103831
Energy: 1.652965043739285
Energy: 1.4943751508380347
Energy: 1.652965043739285
Energy: 1.4940799203679405
Energy: 1.5028368360409634
Energy: 1.7440882121472314
Energy: 1.5028368360409634

minimum gb energy = 1.4939761127959865 eV
minimum distance =  2.309948384637 Angstroms
sigma value = 17


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

Energy: 2.4267865441165273
Energy: 1.7971550965662504
Energy: 1.9344189093967312
Energy: 1.9348791169612363
Energy: 1.7925464266926412
Energy: 1.6293781068477111
Energy: 1.9158373258676709
Energy: 1.6293781068459352
Energy: 1.6609424786364233
Energy: 1.661242984589441
Energy: 2.2062492709561994
Energy: 1.661242984589441
Energy: 1.6250493062355538
Energy: 1.6272600822501215
Energy: 1.916592872425474
Energy: 1.6272600822501215
Energy: 1.8263983068584728
Energy: 1.7623947364041859
Energy: 1.6673010717798322
Energy: 1.7623947364041859
Energy: 1.9140506384882185
Energy: 1.7647905136163027
Energy: 1.7164915239972554
Energy: 1.7647905136163027
Energy: 1.9882209610365669
Energy: 1.6604842534468878
Energy: 1.6583151351992567
Energy: 1.6604842534459998
Energy: 2.0418929559738648
Energy: 1.6255411014101013
Energy: 1.676375215611273
Energy: 1.6255411014101013
Energy: 1.9360355930067146
Energy: 1.9353420773551928
Energy: 2.2097066154453358
Energy: 1.9353420773551928
Energy: 1.8836285865744982
Energy: 1.73010412560077
Energy: 1.913633443183717
Energy: 1.7301041256016578
Energy: 1.8262409820936147
Energy: 1.5997527419128157
Energy: 1.617044893366452
Energy: 1.5997527419145914
Energy: 1.883606107097989
Energy: 1.6001269345579765
Energy: 1.5980446761636802
Energy: 1.6001269345553133
Energy: 1.7209122202098976
Energy: 1.5995576600401036
Energy: 1.5977973299041959
Energy: 1.599557660041879
Energy: 1.7212012679731428
Energy: 1.6269419684950037
Energy: 1.6149091166149832
Energy: 1.6269419684950037
Energy: 1.9358693745089617
Energy: 1.883723721510371
Energy: 2.0372364559709903
Energy: 1.8837237215112588
Energy: 1.9365919620038645
Energy: 1.9180691698064807
Energy: 2.0370538308045196
Energy: 1.9180691698064807
Energy: 1.88002186204177
Energy: 1.6247396618428653
Energy: 1.6625312215568357
Energy: 1.6247396618428653
Energy: 1.8794528404940092
Energy: 1.6247395358183472
Energy: 1.659134782975099
Energy: 1.6247395358192351
Energy: 1.7138957169251121
Energy: 1.8165028752975199
Energy: 1.7328207704188918
Energy: 1.8165028752975199
Energy: 1.6646110377850734
Energy: 1.7657459085495157
Energy: 1.7165715213204478
Energy: 1.765745908548628
Energy: 1.6244615333714607
Energy: 1.624871121233948
Energy: 1.8904434658380356
Energy: 1.624871121233948
Energy: 1.660659700674495
Energy: 1.6731416006860382
Energy: 1.981873172817655
Energy: 1.6731416006860382
Energy: 1.9138732764967652
Energy: 1.7292145856750682
Energy: 1.7889542936082659
Energy: 1.7292145856750682
Energy: 2.2073418849486615
Energy: 1.9349987339651356
Energy: 1.9359210232394306
Energy: 1.9349987339660233
Energy: 1.563137379409998
Energy: 1.5986741089927836
Energy: 1.8841501727627468
Energy: 1.5986741089918959
Energy: 1.597960622295368
Energy: 1.6000552564800805
Energy: 1.82760698613004
Energy: 1.6000552564809682
Energy: 1.6162818102460557
Energy: 1.7025101704904206
Energy: 2.0476143982001243
Energy: 1.7025101704904206
Energy: 1.5982196635279249
Energy: 1.5996684803889285
Energy: 1.9881411483757743
Energy: 1.5996684803907042
Energy: 1.740943566599257
Energy: 1.628731639760835
Energy: 1.7205268525678026
Energy: 1.628731639760835
Energy: 2.428388572180643
Energy: 1.9355724182796314
Energy: 1.9341058382167144
Energy: 1.9355724182796314

minimum gb energy = 1.563137379409998 eV
minimum distance =  2.23574339807518 Angstroms
sigma value = 53


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

Energy: 2.1601092170621854
Energy: 1.4607636309262073
Energy: 1.7766214038114925
Energy: 1.775389246947456
Energy: 2.09218468573971
Energy: 1.5451981032751396
Energy: 1.7660715201664603
Energy: 1.5451981032751396
Energy: 1.7756977485909828
Energy: 1.7780741020890196
Energy: 1.7904738107043268
Energy: 1.7780741020890196
Energy: 1.766032536732684
Energy: 1.5467265902443876
Energy: 1.7983021277140046
Energy: 1.5467265902443876
Energy: 1.8009814253124723
Energy: 1.5451805614217782
Energy: 1.4291298202424585
Energy: 1.5451805614217782
Energy: 1.7629459416712288
Energy: 1.5471714753283337
Energy: 1.4295362198476371
Energy: 1.5471714753303776
Energy: 2.143762321309508
Energy: 1.7751178336113342
Energy: 1.774075662975278
Energy: 1.7751178336133782
Energy: 2.117396312464945
Energy: 1.547074902669942
Energy: 1.7766608878418386
Energy: 1.547074902667898
Energy: 1.777262843765744
Energy: 1.77708625604104
Energy: 1.7930841570778726
Energy: 1.7770862560430838
Energy: 1.7647632627069603
Energy: 1.546913996103714
Energy: 1.7664184448773765
Energy: 1.546913996103714
Energy: 1.7986161326221264
Energy: 1.5476172466131313
Energy: 1.4298118668107533
Energy: 1.547617246615175
Energy: 1.7679690163664767
Energy: 1.5452821959808078
Energy: 1.4289489413885765
Energy: 1.545282195978764
Energy: 2.1387301613854683
Energy: 1.5472495806694984
Energy: 1.7766888191320127
Energy: 1.5472495806674547

minimum gb energy = 1.4289489413885765 eV
minimum distance =  2.29566451661317 Angstroms
sigma value = 9


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

Energy: 2.22275933874106
Energy: 1.9971795390448595
Energy: 2.0617053038794246
Energy: 2.0604604711343
Energy: 1.669037880786594
Energy: 1.603597497537225
Energy: 2.1146221707303834
Energy: 1.603597497540251
Energy: 1.6009087055123192
Energy: 1.6030596274014899
Energy: 2.0152258328874426
Energy: 1.6030596274007334
Energy: 1.6023378699091282
Energy: 1.6030842940171335
Energy: 2.157776964624411
Energy: 1.6030842940163772
Energy: 1.606023843396015
Energy: 1.6008340026037657
Energy: 2.1482810922922497
Energy: 1.600834002605279
Energy: 1.6789101234232477
Energy: 1.6023460491538395
Energy: 2.144245223533729
Energy: 1.6023460491523263
Energy: 1.9833132894680305
Energy: 2.0529665649945272
Energy: 2.045339546184619
Energy: 2.0529665649960402
Energy: 1.9805357363741682
Energy: 1.803381404420815
Energy: 2.0458641005298808
Energy: 1.8033814044177892
Energy: 1.7196866685328511
Energy: 1.7337063192477062
Energy: 1.738413459967246
Energy: 1.733706319249219
Energy: 1.6133961733153852
Energy: 1.6873919384493326
Energy: 2.010270457763604
Energy: 1.6873919384485763
Energy: 1.7743100212982656
Energy: 1.760183418602491
Energy: 2.003733321361749
Energy: 1.760183418602491
Energy: 1.7941912456543923
Energy: 1.8911928080669527
Energy: 2.205664525038749
Energy: 1.8911928080631701
Energy: 2.099478998647487
Energy: 1.7926357857984403
Energy: 1.8525848059578438
Energy: 1.7926357857991968
Energy: 2.105941767688186
Energy: 1.8000812404163111
Energy: 1.84242674673563
Energy: 1.800081240414798
Energy: 1.9541073608738002
Energy: 1.7623161747532694
Energy: 1.7718072207176412
Energy: 1.7623161749165266
Energy: 1.8753169823117657
Energy: 1.8433247194134408
Energy: 1.759703355754341
Energy: 1.8433247194149536
Energy: 1.9459730862544125
Energy: 1.8099374114454698
Energy: 1.8967774676897255
Energy: 1.8099374114454698
Energy: 1.9448386563167823
Energy: 1.9407079117923287
Energy: 2.0848123492857678
Energy: 1.9407079117938415
Energy: 1.9084306775022901
Energy: 1.8366532397647028
Energy: 1.6517359713342847
Energy: 1.8366532397624336
Energy: 2.014323517128802
Energy: 1.687116728333245
Energy: 1.6799772319215374
Energy: 1.6871167283324886
Energy: 2.09451813848724
Energy: 1.6801824483485437
Energy: 1.682306319261513
Energy: 1.6801824483455174
Energy: 2.1406677085349375
Energy: 1.6335099008264333
Energy: 1.6355194539538376
Energy: 1.6335099008279461
Energy: 2.144387624996176
Energy: 1.6355948262100457
Energy: 1.7089626987238797
Energy: 1.6355948262123154
Energy: 2.0605775205499417
Energy: 2.0450340336776347
Energy: 2.1039856697582766
Energy: 2.0450340336791477
Energy: 2.0855418413700475
Energy: 1.8005586662735087
Energy: 2.101375220628053
Energy: 1.8005586662712394
Energy: 1.742279811055178
Energy: 1.7768774117576793
Energy: 1.724704764545959
Energy: 1.7768774117569228
Energy: 2.010089535457713
Energy: 1.6461529813766935
Energy: 1.6123800072519778
Energy: 1.64615298137745
Energy: 2.0772237186524842
Energy: 1.760789050957507
Energy: 1.7670368161927994
Energy: 1.7607890509559943
Energy: 2.224839097725829
Energy: 1.8170178603848828
Energy: 1.7765951816132883
Energy: 1.8170178603848828
Energy: 1.8344450840853215
Energy: 1.7599451140147018
Energy: 1.9867213847198235
Energy: 1.7599451140154583
Energy: 1.794501286063068
Energy: 1.7688075075727157
Energy: 2.01956066612699
Energy: 1.7688075075704464
Energy: 1.756160278314542
Energy: 1.7435476600769946
Energy: 2.026675454144915
Energy: 1.7435476600807769
Energy: 1.6888709304004734
Energy: 1.7677236661509887
Energy: 1.880113210492539
Energy: 1.767723666149476
Energy: 1.7722487956945046
Energy: 1.7813240880137657
Energy: 1.9205912946000363
Energy: 1.7813240880099837
Energy: 2.2237736094560088
Energy: 2.055026092525614
Energy: 2.0595320702894733
Energy: 2.055026092525614

minimum gb energy = 1.6008340026037657 eV
minimum distance =  2.22116265809077 Angstroms
sigma value = 73


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

Energy: 2.1855154566311
Energy: 1.6981306220792287
Energy: 1.964767942770356
Energy: 1.8884868869248574
Energy: 1.7258660671809167
Energy: 1.6473176503469882
Energy: 1.6985568712444608
Energy: 1.6473176503469882
Energy: 1.6475537824935504
Energy: 1.647872589629808
Energy: 1.869199836244931
Energy: 1.647872589629808
Energy: 1.6382399036368371
Energy: 1.6058319179685319
Energy: 2.070295988429067
Energy: 1.6058319179661318
Energy: 1.6390624515690402
Energy: 1.6538038734168288
Energy: 2.0861239246960968
Energy: 1.6538038734180291
Energy: 1.8155372189215375
Energy: 1.6384497218854428
Energy: 2.0914559670917323
Energy: 1.6384497218854428
Energy: 1.841646662725311
Energy: 2.0048275225036
Energy: 2.012965117732869
Energy: 2.0048275225023997
Energy: 1.8403068232860833
Energy: 1.9312908459808966
Energy: 1.937449702846403
Energy: 1.9312908459808966
Energy: 1.755879586401559
Energy: 1.9039332809568736
Energy: 1.9037690154132465
Energy: 1.9039332809100666
Energy: 1.6583042416281528
Energy: 1.863312946911401
Energy: 1.938865152184457
Energy: 1.863312946911401
Energy: 1.7826131425644893
Energy: 1.6943919798783171
Energy: 1.9556622364006961
Energy: 1.6943919798783171
Energy: 1.7051463424356084
Energy: 1.6907298235872699
Energy: 1.9756401401922807
Energy: 1.6907298235872699
Energy: 1.9189952930923453
Energy: 1.806062704625522
Energy: 1.689495744722103
Energy: 1.806062704625522
Energy: 1.8685615484363722
Energy: 1.7612723021654169
Energy: 1.7603538124626879
Energy: 1.7612723021654169
Energy: 1.9763338992731654
Energy: 1.6865975890845555
Energy: 1.6825668569725807
Energy: 1.6865975890845555
Energy: 2.087208873137897
Energy: 1.6916189988159316
Energy: 1.6924486173033157
Energy: 1.6916189988159316
Energy: 2.0894477021669364
Energy: 1.8458368207929234
Energy: 1.8011959262072899
Energy: 1.8458368207953237
Energy: 1.9324318494350512
Energy: 1.9317161545154746
Energy: 2.627687317119761
Energy: 1.9317161545154746
Energy: 1.8754908367166576
Energy: 1.8595042445122538
Energy: 1.8408432361114002
Energy: 1.8595042445110537
Energy: 1.7869583079749554
Energy: 1.7077441583285926
Energy: 1.6889812980937653
Energy: 1.7077441583225916
Energy: 1.881139576044727
Energy: 1.7134293572980626
Energy: 1.6592385502261968
Energy: 1.7134293572992627
Energy: 2.0804873554732737
Energy: 1.890072589738719
Energy: 1.9563201639527548
Energy: 1.8900725897375188

minimum gb energy = 1.6058319179661318 eV
minimum distance =  2.18366138446674 Angstroms
sigma value = 7


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

Energy: 2.4945214319769042
Energy: 1.5848554156054848
Energy: 1.8851198585299056
Energy: 1.8855255515647351
Energy: 1.7954921761075573
Energy: 1.7312643969487624
Energy: 1.99693146608155
Energy: 1.7312643969496109
Energy: 1.6028357939397928
Energy: 1.6019579917798754
Energy: 1.7268171175490394
Energy: 1.6019579917824214
Energy: 1.5985511962597745
Energy: 1.6036046857239898
Energy: 2.033699330615496
Energy: 1.6036046857222925
Energy: 1.632278594411959
Energy: 1.6309111284639608
Energy: 1.8738163817082991
Energy: 1.6309111284631121
Energy: 1.6063903852451025
Energy: 1.6345951645918309
Energy: 1.8747552891646584
Energy: 1.6345951645909824
Energy: 1.9923909111665274
Energy: 1.6299281278854023
Energy: 1.602689316427358
Energy: 1.6299281278845537
Energy: 1.9859261841366138
Energy: 1.63087981633603
Energy: 1.6335761561929079
Energy: 1.6308798163343328
Energy: 2.1043063886591873
Energy: 1.6133603713835727
Energy: 1.6134274254371863
Energy: 1.6133603713844211
Energy: 1.8752526653503607
Energy: 1.8356019859435608
Energy: 1.6065548391762927
Energy: 1.8356019859418635
Energy: 2.0986259301562127
Energy: 1.7388387064743416
Energy: 1.845435315027726
Energy: 1.7388387064717956
Energy: 1.8880355721806175
Energy: 1.8075328926962342
Energy: 2.1094483278212484
Energy: 1.8075328927071894
Energy: 1.7325141206278152
Energy: 1.7319045261285213
Energy: 1.8344748125931352
Energy: 1.7319045261276729
Energy: 1.7316421099534074
Energy: 1.671933375934377
Energy: 1.577180195868542
Energy: 1.6719333759335286
Energy: 1.8004784298510814
Energy: 1.7319210154805273
Energy: 1.5793341706808839
Energy: 1.7319210154805273
Energy: 2.0478537763529183
Energy: 1.8149596031787383
Energy: 1.887501274575761
Energy: 1.8149596031778896
Energy: 2.0415827165256792
Energy: 1.7394542496926564
Energy: 1.845347489406954
Energy: 1.739454249713024
Energy: 1.6077223677464696
Energy: 1.8354086704610744
Energy: 1.72511718917819
Energy: 1.8354086704568309
Energy: 1.6100495891901496
Energy: 1.6141101203707051
Energy: 1.8418765256888086
Energy: 1.6141101203724024
Energy: 1.7212838378135873
Energy: 1.6354625907391271
Energy: 2.042430060083944
Energy: 1.6354625907416729
Energy: 1.6024432892172407
Energy: 1.6305538271653255
Energy: 1.8803722781476568
Energy: 1.630553827167023
Energy: 1.984928406079355
Energy: 1.6365452148817354
Energy: 1.6116768268218284
Energy: 1.6365452148817354
Energy: 1.9860664515507345
Energy: 1.6333905019856072
Energy: 1.6326997616643395
Energy: 1.6333905019873047
Energy: 2.0033775209879057
Energy: 1.6147519970828905
Energy: 1.6136064970211534
Energy: 1.6147519970794961
Energy: 1.8777491415032939
Energy: 1.602297746144225
Energy: 1.6004539744966793
Energy: 1.602297746143376
Energy: 1.8805044004851545
Energy: 1.7314880450635544
Energy: 1.6369447133595263
Energy: 1.7314880450644028
Energy: 1.8852283297949335
Energy: 1.885647681914685
Energy: 2.180358898319541
Energy: 1.885647681914685
Energy: 1.7368555004004846
Energy: 1.7369132354274608
Energy: 1.8240991764138028
Energy: 1.736913235429158
Energy: 1.730663607230846
Energy: 1.6749781869627953
Energy: 1.734448232695938
Energy: 1.6749781869627953
Energy: 1.8379087046059024
Energy: 1.731157932416261
Energy: 1.5770304839885378
Energy: 1.7311579324171094
Energy: 2.041444448531953
Energy: 1.7394075756847207
Energy: 1.80813054040716
Energy: 1.739407575642288

minimum gb energy = 1.5770304839885378 eV
minimum distance =  2.194733384844 Angstroms
sigma value = 29


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

Energy: 1.4117821286398315
Energy: 1.4139881915494485
Energy: 1.7553311576137125
Energy: 1.8520778684417012
Energy: 1.4155428843106879
Energy: 1.5921507936674775
Energy: 1.5527561700562202
Energy: 1.592150793667773
Energy: 1.7540779585253823
Energy: 1.5425714428297068
Energy: 1.423524834661978
Energy: 1.5425714428300021
Energy: 1.4155736264908632
Energy: 1.4422362695059836
Energy: 1.44451639645942
Energy: 1.4422362695053923
Energy: 1.440373689103703
Energy: 1.441930285215187
Energy: 1.416293786029154
Energy: 1.441930285215187
Energy: 1.4446264664421244
Energy: 1.53938517367621
Energy: 1.4160978028897588
Energy: 1.53938517367736
Energy: 1.4240432356050978
Energy: 1.543014421484613
Energy: 1.754701271598619
Energy: 1.543014421484613
Energy: 1.5546560513639522
Energy: 1.4423278619599962
Energy: 1.4155764983168273
Energy: 1.4423278619602589
Energy: 1.4164563948016167
Energy: 1.4416719054226594
Energy: 1.4426849864476787
Energy: 1.441671905420623

minimum gb energy = 1.4117821286398315 eV
minimum distance =  2.26644978611782 Angstroms
sigma value = 5


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

Energy: 1.9314372594941973
Energy: 1.4675002224456057
Energy: 1.8309288486577038
Energy: 1.8288549220106953
Energy: 1.8189589597059037
Energy: 1.4776187009241668
Energy: 1.7387029086336587
Energy: 1.4776187009241668
Energy: 1.7386642708135593
Energy: 1.5885726558340014
Energy: 1.7354413779800342
Energy: 1.5885726558348028
Energy: 1.4960210131854361
Energy: 1.4762081802893827
Energy: 1.885612032129686
Energy: 1.4762081802861762
Energy: 1.7431292343920786
Energy: 1.6039152956821057
Energy: 1.7293506027706336
Energy: 1.6039152956821057
Energy: 1.5579816310815628
Energy: 1.4955638989177598
Energy: 1.730558681714475
Energy: 1.4955638989177598
Energy: 1.47697455972043
Energy: 1.4756662575871202
Energy: 1.8839512354868393
Energy: 1.4756662575871202
Energy: 1.478327996945208
Energy: 1.4785680335767128
Energy: 1.9409591703856968
Energy: 1.4785680335775147
Energy: 1.819046853006932
Energy: 1.5538205781805545
Energy: 1.9589301946955153
Energy: 1.553820578181356
Energy: 1.7102575245544096
Energy: 1.4597490778996365
Energy: 1.4593715131185716
Energy: 1.4597490778996365
Energy: 1.6863034317881722
Energy: 1.4587121253312048
Energy: 1.4587935617765682
Energy: 1.458712125330403
Energy: 1.9569794575473398
Energy: 1.466563774425506
Energy: 1.4576046282586128
Energy: 1.466563774425506
Energy: 1.9625560683151178
Energy: 1.4641423397175526
Energy: 1.6507331281745692
Energy: 1.4641423397199573
Energy: 1.817535827881024
Energy: 1.560203110184511
Energy: 1.7303814560309099
Energy: 1.5602031101837095
Energy: 1.478090234908863
Energy: 1.477139649802036
Energy: 1.7322107092776458
Energy: 1.477139649802036
Energy: 1.4780352959178267
Energy: 1.476893507257155
Energy: 1.751000020523432
Energy: 1.4768935072603617
Energy: 1.8288554929997054
Energy: 1.4768778867100403
Energy: 1.4950975445238073
Energy: 1.4768778867100403
Energy: 1.8064344311279446
Energy: 1.4790095432371386
Energy: 1.8222967300698305
Energy: 1.4790095432379402
Energy: 1.7176036615698924
Energy: 1.5904441425762321
Energy: 1.738808536984667
Energy: 1.5904441425754305
Energy: 1.8826442838854918
Energy: 1.4759719757899943
Energy: 1.4915316645363095
Energy: 1.475971975790796
Energy: 1.7322728969541563
Energy: 1.4836111145093331
Energy: 1.7428628011395884
Energy: 1.4836111145093331
Energy: 1.729030321721006
Energy: 1.5579161802402388
Energy: 1.560103207766445
Energy: 1.5579161802402388
Energy: 1.8884947757161545
Energy: 1.4763639484621747
Energy: 1.478352519500642
Energy: 1.4763639484621747
Energy: 1.9634407935955667
Energy: 1.4772658587987821
Energy: 1.4782390539002683
Energy: 1.4772658587987821
Energy: 1.9605616473302965
Energy: 1.5534481192749192
Energy: 1.8165395561044686
Energy: 1.5534481192741176
Energy: 1.4653493846170682
Energy: 1.4609481922679117
Energy: 1.710072018036163
Energy: 1.4609481922687133
Energy: 1.463499282477639
Energy: 1.458372739847057
Energy: 1.6833975595205681
Energy: 1.458372739847859
Energy: 1.5001854763057614
Energy: 1.4600186184654864
Energy: 1.4916465434258122
Energy: 1.4600186184646848
Energy: 1.4623210232754635
Energy: 1.4581134357041674
Energy: 1.937708028334968
Energy: 1.4581134357049692
Energy: 1.7296531762024874
Energy: 1.5534073764366547
Energy: 1.8159237476167482
Energy: 1.5534073764374563
Energy: 1.729214369052395
Energy: 1.4772167335761035
Energy: 1.4803786768200953
Energy: 1.4772167335761035
Energy: 1.7381971123772755
Energy: 1.477225624605069
Energy: 1.4793585633675832
Energy: 1.4772256246066724
Energy: 1.4963838316328306
Energy: 1.4759744640771373
Energy: 1.5607963149020776
Energy: 1.4759744640763357

minimum gb energy = 1.4576046282586128 eV
minimum distance =  2.22414331430231 Angstroms
sigma value = 1


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

Energy: 2.254212222182528
Energy: 1.4941537313032218
Energy: 1.8177075884973277
Energy: 1.8171933767213735
Energy: 1.698147444042915
Energy: 1.442836851317119
Energy: 1.7784886804278508
Energy: 1.4428368513182273
Energy: 1.774960314835956
Energy: 1.5904535805341635
Energy: 1.776010191171944
Energy: 1.590453580533055
Energy: 1.595768257062921
Energy: 1.7455484628024276
Energy: 1.7781073008561303
Energy: 1.7455484628024276
Energy: 1.7821115407334644
Energy: 1.5607278919043912
Energy: 1.6253762338956326
Energy: 1.5607278919032825
Energy: 1.559064798713513
Energy: 1.4792549866585287
Energy: 1.6259878746660845
Energy: 1.4792549866585287
Energy: 1.4475111115204744
Energy: 1.4477139193680455
Energy: 1.7782631125328106
Energy: 1.4477139193702624
Energy: 1.4493053532841662
Energy: 1.4522005418555697
Energy: 1.9370888969973323
Energy: 1.4522005418555697
Energy: 1.4990340078860467
Energy: 1.5552895695484374
Energy: 1.9357897600770018
Energy: 1.555289569549546
Energy: 1.900554755194689
Energy: 1.3993534721347518
Energy: 1.567629870628986
Energy: 1.3993534721347518
Energy: 1.4992134149345957
Energy: 1.4128778276338425
Energy: 1.5695709612981246
Energy: 1.412877827634951
Energy: 2.049084312985369
Energy: 1.3981702512391174
Energy: 1.5293120280947645
Energy: 1.3981702512380092
Energy: 2.078120410047628
Energy: 1.3975763808074506
Energy: 1.5560060302878198
Energy: 1.3975763808063422
Energy: 1.9143151905790086
Energy: 1.396130826031497
Energy: 1.8946252054175359
Energy: 1.396130826031497
Energy: 1.5952765028977514
Energy: 1.708357518002369
Energy: 1.8945034422277482
Energy: 1.708357518002369
Energy: 1.6156393708465817
Energy: 1.4484950368797258
Energy: 1.8651625916895587
Energy: 1.4484950368797258
Energy: 1.6563753779935475
Energy: 1.5409102599303024
Energy: 1.6238609495758511
Energy: 1.540910259929194
Energy: 1.4743133785592317
Energy: 1.4517837150415065
Energy: 1.6232807256874664
Energy: 1.4517837150437232
Energy: 1.4506634934483342
Energy: 1.4487643141685778
Energy: 1.934460486180017
Energy: 1.4487643141696862
Energy: 1.4488631723312688
Energy: 1.7312268992541813
Energy: 1.9499677900184005
Energy: 1.7312268992541813
Energy: 1.9174030511917248
Energy: 1.557365943629779
Energy: 1.7870090609383618
Energy: 1.557365943629779
Energy: 1.9073124892759525
Energy: 1.44233323820071
Energy: 1.4427845183234003
Energy: 1.4423332382018184
Energy: 1.9868333083757823
Energy: 1.4409870968553558
Energy: 1.4415634489042077
Energy: 1.4409870968531389
Energy: 1.9343418734329372
Energy: 1.496176531018542
Energy: 1.4956153555119003
Energy: 1.4961765310207586

minimum gb energy = 1.396130826031497 eV
minimum distance =  2.22224540813909 Angstroms
sigma value = 17


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

Energy: 2.181640920020673
Energy: 1.4095811833307252
Energy: 1.799079590650607
Energy: 1.798063379304236
Energy: 1.4185534493252205
Energy: 1.4088689906199925
Energy: 1.6368569122777448
Energy: 1.4088689906220475
Energy: 1.8306743884568015
Energy: 1.7122215814656745
Energy: 1.6275926009864552
Energy: 1.7122215814656745
Energy: 1.7976246295184637
Energy: 1.494048082166953
Energy: 1.7976083848142133
Energy: 1.4940480821662683
Energy: 1.5680234158639899
Energy: 1.4246331273895891
Energy: 1.9980426253967951
Energy: 1.4246331273909592
Energy: 1.4314301789432209
Energy: 1.4225450139933506
Energy: 1.9801684424936234
Energy: 1.4225450139926652
Energy: 1.3944398355252827
Energy: 1.392828154237985
Energy: 1.4926495041389656
Energy: 1.392828154237985
Energy: 1.401476232325634
Energy: 1.3955557971646853
Energy: 2.1894626202176237
Energy: 1.3955557971646853
Energy: 1.9770512878192092
Energy: 1.3956804059221322
Energy: 1.818313185665905
Energy: 1.3956804059221322
Energy: 1.6040423555771604
Energy: 1.4936362313088203
Energy: 1.6351318246537503
Energy: 1.493636231308135
Energy: 2.0790563307082897
Energy: 1.4070115617182444
Energy: 1.4168080749690086
Energy: 1.407011561716189
Energy: 1.9765921705982703
Energy: 1.4108736078702317
Energy: 1.6404045583037732
Energy: 1.4108736078722868
Energy: 1.9885733219535844
Energy: 1.46962406855991
Energy: 1.477782493176576
Energy: 1.46962406855991
Energy: 1.8675866572224478
Energy: 1.406931911779402
Energy: 1.4108225810067119
Energy: 1.4069319117800871
Energy: 1.8243429319221762
Energy: 1.4094319047093382
Energy: 1.4158463531774135
Energy: 1.4094319047100232
Energy: 2.1415267483650595
Energy: 1.4741892271921457
Energy: 1.8108192246049317
Energy: 1.4741892271921457
Energy: 1.408079174329041
Energy: 1.5090909185722454
Energy: 1.9887752979910442
Energy: 1.5090909185708754
Energy: 1.4121732907227662
Energy: 1.4075753810668614
Energy: 2.080790969255824
Energy: 1.4075753810675466
Energy: 1.4773320697866574
Energy: 1.4095500926507671
Energy: 1.8177383443853694
Energy: 1.4095500926507671
Energy: 1.4872432674088778
Energy: 1.6276209169963194
Energy: 2.183056267320365
Energy: 1.6276209169045788
Energy: 1.6322540578905647
Energy: 1.4093020378317351
Energy: 1.7262875647080558
Energy: 1.4093020378331056
Energy: 1.6304933766782603
Energy: 1.7099077200716961
Energy: 1.829448880267117
Energy: 1.7099077200723811
Energy: 1.5814902082537878
Energy: 1.3925688210214726
Energy: 1.8272569464867896
Energy: 1.392568821023528
Energy: 1.984700533145649
Energy: 1.3942351186466984
Energy: 1.6345122408716415
Energy: 1.3942351186460131
Energy: 1.9767212547126196
Energy: 1.3981560093992373
Energy: 1.4251673295150924
Energy: 1.3981560094006074
Energy: 1.7450174331120873
Energy: 1.3936498220811369
Energy: 1.3975276058819324
Energy: 1.393649822082507
Energy: 2.1835989852040116
Energy: 1.3967122818173539
Energy: 1.4056664197222184
Energy: 1.3967122818214643
Energy: 2.0219598032651347
Energy: 1.3948395942680565
Energy: 1.9774278856065344
Energy: 1.394839594269427
Energy: 1.630115621583591
Energy: 1.7088772859622092
Energy: 1.6077434816136205
Energy: 1.7088772859622092
Energy: 1.4190349889962688
Energy: 1.4063005952187957
Energy: 2.0827382348204098
Energy: 1.4063005952174252
Energy: 1.6358200856093366
Energy: 1.5030664324582803
Energy: 1.9796567786183206
Energy: 1.5030664324582803
Energy: 1.4723522856559026
Energy: 1.4683060938769827
Energy: 1.9817621692637186
Energy: 1.4683060938783532
Energy: 1.4073452701007263
Energy: 1.4060899732048509
Energy: 1.8722711741507079
Energy: 1.4060899732055359
Energy: 1.4212138734561082
Energy: 1.410019216091051
Energy: 1.7973734176619036
Energy: 1.4100192160917362
Energy: 2.034462172835235
Energy: 1.4719029949345896
Energy: 2.1355753951977996
Energy: 1.4719029949345896
Energy: 1.9876263812365151
Energy: 1.4117403394028285
Energy: 1.408685567194894
Energy: 1.4117403394041987
Energy: 2.081392355345565
Energy: 1.40672482884338
Energy: 1.40796047809246
Energy: 1.4067248288440648
Energy: 1.8235155848518318
Energy: 1.4110855335154362
Energy: 1.4992506644521704
Energy: 1.4110855335154362

minimum gb energy = 1.3925688210214726 eV
minimum distance =  2.2311191034063 Angstroms
sigma value = 89


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

Energy: 2.2967869533833993
Energy: 1.3545650149187205
Energy: 1.289416619092242
Energy: 1.2895317907529629
Energy: 2.1402588093406254
Energy: 1.2892738637353063
Energy: 1.7203681530218244
Energy: 1.2892738637353063
Energy: 1.2778101163637123
Energy: 1.4257264582275562
Energy: 1.7388720592738018
Energy: 1.4257264582275562
Energy: 1.2792805784990144
Energy: 1.42771248004174
Energy: 1.4034727556753004
Energy: 1.42771248004174
Energy: 1.3277012806471487
Energy: 1.2897262486185352
Energy: 1.7317046238174512
Energy: 1.2897262486185352
Energy: 1.2894740663959352
Energy: 1.2898746001508483
Energy: 1.729586376870114
Energy: 1.2898746001508483
Energy: 1.2873967934567128
Energy: 1.2882050780599703
Energy: 1.40530377449698
Energy: 1.2882050780599703
Energy: 1.2903704278985337
Energy: 1.2904964034786615
Energy: 2.140469212809137
Energy: 1.2904964034786615
Energy: 1.7202643728843494
Energy: 1.4268184179840588
Energy: 2.142171840137457
Energy: 1.4268184179840588
Energy: 1.79469184610311
Energy: 1.4287216531375406
Energy: 1.7453723564595374
Energy: 1.4287216531375406
Energy: 1.4041558023392522
Energy: 1.426079966398712
Energy: 1.2768815363374868
Energy: 1.426079966398712
Energy: 1.7293408811832642
Energy: 1.2907194609405908
Energy: 1.4053465949041932
Energy: 1.2907194609405908
Energy: 1.7313716763295162
Energy: 1.291192019197428
Energy: 1.2904990348498369
Energy: 1.291192019197428
Energy: 1.40403889110805
Energy: 1.2873277423791696
Energy: 1.2853084146445763
Energy: 1.2873277423791696
Energy: 2.141645079177733
Energy: 1.2903143032611881
Energy: 1.2903860841655146
Energy: 1.2903143032611881

minimum gb energy = 1.2768815363374868 eV
minimum distance =  2.25266356990309 Angstroms
sigma value = 13


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

Energy: 2.046418548992822
Energy: 1.2727889292676327
Energy: 1.6990473938453048
Energy: 1.6938478235293073
Energy: 1.9775319816996801
Energy: 1.2415764043209478
Energy: 1.478422925574349
Energy: 1.2415764043216992
Energy: 1.9846313345319264
Energy: 1.2417706953965069
Energy: 1.439303840135937
Energy: 1.2417706953957555
Energy: 1.6246348636882375
Energy: 1.338641496632705
Energy: 1.5044516287841918
Energy: 1.3386414966349587
Energy: 1.8368122665306896
Energy: 1.333840984328372
Energy: 1.8733048296080472
Energy: 1.3338409843276209
Energy: 1.4741298838452177
Energy: 1.242943469664733
Energy: 1.8719809062406805
Energy: 1.242943469664733
Energy: 1.4742936468367032
Energy: 1.2425571483172717
Energy: 1.84438023766349
Energy: 1.2425571483150177
Energy: 1.3167202008510603
Energy: 1.2808452543715492
Energy: 2.1569075371312567
Energy: 1.2808452543730517
Energy: 1.252355412058273
Energy: 1.2439667970275017
Energy: 2.1226988727085425
Energy: 1.243966797025999
Energy: 1.246812031430699
Energy: 1.241565977127814
Energy: 2.1212748942974686
Energy: 1.241565977127063
Energy: 1.2420966654818038
Energy: 1.2490707741888167
Energy: 2.0476688000572545
Energy: 1.2490707741903195
Energy: 1.8638367054003653
Energy: 1.2415355657535427
Energy: 1.8388587589566556
Energy: 1.2415355657595533
Energy: 1.8766134731712558
Energy: 1.3229549063084698
Energy: 1.8650122210426616
Energy: 1.3229549063062158
Energy: 1.828241651101508
Energy: 1.2402680127240395
Energy: 1.6267339416401065
Energy: 1.2402680127232883
Energy: 2.081775737741513
Energy: 1.243133041426115
Energy: 1.7108217693122496
Energy: 1.243133041423861
Energy: 2.0906480007222665
Energy: 1.2442171239952173
Energy: 1.25901430982763
Energy: 1.244217123994466
Energy: 1.8477315402873309
Energy: 1.2416717194364946
Energy: 1.2424992987335244
Energy: 1.2416717194312354
Energy: 2.0498198627732247
Energy: 1.2435601883434837
Energy: 1.25250474250173
Energy: 1.2435601883449865
Energy: 2.220844721409621
Energy: 1.2437600996494995
Energy: 1.511350031720374
Energy: 1.2437600996494995
Energy: 2.121476006030627
Energy: 1.2401022273005744
Energy: 1.43435169549306
Energy: 1.2401022273005744
Energy: 1.620769652976886
Energy: 1.2468092415544392
Energy: 1.5053430542382595
Energy: 1.2468092415559422
Energy: 1.8333163416650844
Energy: 1.3288166044826282
Energy: 1.8706592733195273
Energy: 1.3288166044803742
Energy: 1.4823714352929183
Energy: 1.2428705285915869
Energy: 1.8410185079283414
Energy: 1.2428705285915869
Energy: 1.243758128558841
Energy: 1.2403585660552234
Energy: 1.8375829114810431
Energy: 1.2403585660589802
Energy: 1.4631533713870888
Energy: 1.2790802145997713
Energy: 2.1528551671405673
Energy: 1.2790802145975173
Energy: 1.2827234075720424
Energy: 1.2783773176082591
Energy: 2.144267202579236
Energy: 1.2783773176112643
Energy: 1.2410871435092616
Energy: 1.240294893431204
Energy: 1.8402674630509739
Energy: 1.2402948934304527
Energy: 1.241413297190183
Energy: 1.2455530229524725
Energy: 2.051907178604045
Energy: 1.2455530229532241
Energy: 1.7884229135964613
Energy: 1.2421541841060066
Energy: 2.263442803982561
Energy: 1.2421541841022503
Energy: 1.4331706752824167
Energy: 1.3284224463902732
Energy: 1.8427975978312354
Energy: 1.3284224463902732
Energy: 1.8475673522209155
Energy: 1.3349674871253878
Energy: 1.622955251884281
Energy: 1.3349674871291444
Energy: 2.0897117653855006
Energy: 1.2427226517513232
Energy: 1.8441281554292996
Energy: 1.2427226517505716
Energy: 2.081244765118853
Energy: 1.2441261162080088
Energy: 1.2571305019178245
Energy: 1.2441261162057546
Energy: 1.8520893256149562
Energy: 1.2402324265304392
Energy: 1.2411992727679881
Energy: 1.2402324265326932
Energy: 2.224604523107374
Energy: 1.241684552236269
Energy: 1.2498337713812269
Energy: 1.241684552234015

minimum gb energy = 1.2401022273005744 eV
minimum distance =  2.24647385002674 Angstroms
sigma value = 37


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

Energy: 2.0019913223778234
Energy: 1.2565964362906665
Energy: 1.1724562042208333
Energy: 1.1693150073410676
Energy: 2.169519879630116
Energy: 1.1707569648760487
Energy: 1.4979561431363124
Energy: 1.1707569648747562
Energy: 1.8994949422237923
Energy: 1.1690813852681727
Energy: 1.5030357350636514
Energy: 1.1690813852681727
Energy: 1.9604723890288247
Energy: 1.3141623851000934
Energy: 1.7533780479161094
Energy: 1.3141623851000934
Energy: 1.8298937373993807
Energy: 1.3137736496164174
Energy: 1.6319990588509634
Energy: 1.3137736496164174
Energy: 1.3004428804965107
Energy: 1.1598711654058327
Energy: 1.8960112541065164
Energy: 1.1598711654058327
Energy: 1.300432856047793
Energy: 1.160800434977387
Energy: 1.7612115253220006
Energy: 1.160800434977387
Energy: 1.388136839312828
Energy: 1.136630641826626
Energy: 2.149157868302308
Energy: 1.1366306418279186
Energy: 1.309458531657433
Energy: 1.163021892548548
Energy: 2.1500448424467598
Energy: 1.163021892548548
Energy: 1.3183215616485373
Energy: 1.1338331612884058
Energy: 1.7599907027310027
Energy: 1.1338331612884058
Energy: 1.4407469581433652
Energy: 1.4411875122533793
Energy: 1.7966499829115299
Energy: 1.4411875122533793
Energy: 1.6343940687717922
Energy: 1.133766087251055
Energy: 1.759676628253478
Energy: 1.1337660872497626
Energy: 1.646631872903031
Energy: 1.1595684813207021
Energy: 1.8997184512346372
Energy: 1.1595684813219949
Energy: 1.6502086901739899
Energy: 1.2730547776810366
Energy: 1.9618722178706183
Energy: 1.273054777679744
Energy: 1.6319990588522557
Energy: 1.3034164783821625
Energy: 1.7611637529670576
Energy: 1.3034164783821625
Energy: 1.8960112541077798
Energy: 1.3032579939963416
Energy: 1.5275355217849615
Energy: 1.3032579939963416
Energy: 1.8308355558409097
Energy: 1.169070555550953
Energy: 1.3004392853852773
Energy: 1.1690705555522456
Energy: 2.149157868302308
Energy: 1.1699218426620555
Energy: 1.160539722942592
Energy: 1.1699218426620555
Energy: 2.150044842445467
Energy: 1.1738997466945866
Energy: 1.1699260504279976
Energy: 1.1738997466958794
Energy: 2.073832674429697
Energy: 1.1708809543733334
Energy: 1.1702398562655942
Energy: 1.1708809543720409

minimum gb energy = 1.1337660872497626 eV
minimum distance =  2.23036498033343 Angstroms
sigma value = 25


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

Energy: 2.290180732723878
Energy: 1.1126928906681472
Energy: 1.0398733248555112
Energy: 1.0353657922580184
Energy: 2.0627411864948013
Energy: 1.0369486723295087
Energy: 1.2960415465565267
Energy: 1.0369486723305181
Energy: 2.0838466588902533
Energy: 1.0358492044178786
Energy: 1.286648575677836
Energy: 1.0358492044198975
Energy: 1.6741672218634447
Energy: 1.0399558695637814
Energy: 1.5934134301627139
Energy: 1.0399558695627718
Energy: 1.9621106483493063
Energy: 1.1486113774216677
Energy: 1.8056389393676988
Energy: 1.1486113774216677
Energy: 1.673694375434289
Energy: 1.1476032760249586
Energy: 1.7899689122915534
Energy: 1.147603276025968
Energy: 1.669048875976017
Energy: 1.0323053562394204
Energy: 1.9075060864692117
Energy: 1.0323053562374018
Energy: 1.303061296350545
Energy: 1.0326998193574788
Energy: 1.8786648061947753
Energy: 1.0326998193564696
Energy: 1.3021016156188858
Energy: 1.0350240082187165
Energy: 2.1821543015920724
Energy: 1.0350240082207351
Energy: 1.3053696454872121
Energy: 1.0323248477368618
Energy: 1.9821770918357138
Energy: 1.0323248477378715
Energy: 1.1487139051272102
Energy: 1.0324289490077403
Energy: 1.9744202003942215
Energy: 1.0324289490087497
Energy: 1.1608275529979486
Energy: 1.0334606069059586
Energy: 1.982151877975316
Energy: 1.0334606069059586
Energy: 1.1600220686402758
Energy: 1.0206133888586384
Energy: 1.9949232144846425
Energy: 1.0206133888566196
Energy: 1.220637597674544
Energy: 1.0180132579521959
Energy: 1.9400835149509739
Energy: 1.0180132579521959
Energy: 1.4058684089885254
Energy: 1.0182307981187653
Energy: 1.9499914889716956
Energy: 1.0182307981177559
Energy: 1.4008008169845203
Energy: 1.034122665868746
Energy: 2.050495305873282
Energy: 1.0341226658677365
Energy: 1.7691647903989673
Energy: 1.0341871070150475
Energy: 2.0791124788682676
Energy: 1.0341871070140383
Energy: 1.3972467583781127
Energy: 1.1496551730984657
Energy: 1.7440254785154448
Energy: 1.149655173097456
Energy: 1.7831366477040294
Energy: 1.14751513389547
Energy: 1.6697711470160637
Energy: 1.1475151338964795
Energy: 1.9677092109765753
Energy: 1.1445277207127627
Energy: 1.6667408260776622
Energy: 1.1445277207117532
Energy: 1.975984084603749
Energy: 1.0399835525716374
Energy: 1.2971190617342976
Energy: 1.0399835525716374
Energy: 2.1644021341616644
Energy: 1.0349172093072159
Energy: 1.148872032354747
Energy: 1.0349172093062065
Energy: 2.039983047474243
Energy: 1.0393254560612337
Energy: 1.2984437434758092
Energy: 1.0393254560592151
Energy: 1.9778440140868194
Energy: 1.0363919869962
Energy: 1.036642277979622
Energy: 1.0363919869972094
Energy: 1.9676171630076509
Energy: 1.0365909073418158
Energy: 1.0385873485352954
Energy: 1.0365909073418158
Energy: 2.04069460096846
Energy: 1.051869650058497
Energy: 1.0468956154511264
Energy: 1.051869650058497

minimum gb energy = 1.0180132579521959 eV
minimum distance =  2.2355099166169 Angstroms
sigma value = 41


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

Energy: 2.3294326515209223
Energy: 0.9941372054873592
Energy: 0.9351639125953748
Energy: 0.9336038496930755
Energy: 2.2293090655432923
Energy: 0.9292937226120618
Energy: 1.1438509565294488
Energy: 0.9292937226112342
Energy: 2.0841865525569006
Energy: 0.9289382333734258
Energy: 1.1394482205513186
Energy: 0.928938233371771
Energy: 1.7193779469532122
Energy: 0.9349003883505564
Energy: 1.536544787454905
Energy: 0.9349003883505564
Energy: 2.053592847966414
Energy: 0.9277125432212904
Energy: 1.5552523728645162
Energy: 0.9277125432188077
Energy: 1.7502776902630017
Energy: 1.2937890942002341
Energy: 1.5489515358617465
Energy: 1.2937890942002341
Energy: 1.7618320681437118
Energy: 1.0246483825489854
Energy: 1.8842922260869526
Energy: 1.0246483825481578
Energy: 1.7297859215625002
Energy: 1.0230083102825047
Energy: 1.5784021744421521
Energy: 1.0230083102800223
Energy: 1.3421169235673294
Energy: 1.2930355032781449
Energy: 1.9173607869188547
Energy: 1.2930355032781449
Energy: 1.3466179334490194
Energy: 0.9277275310952191
Energy: 2.076265124187768
Energy: 0.9277275310943915
Energy: 1.1437454474510718
Energy: 0.9361385644396861
Energy: 2.073910802240074
Energy: 0.936138564438031
Energy: 1.132543888778253
Energy: 0.9291509939626326
Energy: 2.239204569836916
Energy: 0.9291509939626326
Energy: 1.1497943907256427
Energy: 0.9316124568137801
Energy: 2.2379209111233713
Energy: 0.9316124568137801
Energy: 0.9295769528391462
Energy: 0.934768084613841
Energy: 1.8822992534196934
Energy: 0.9347680839090915
Energy: 0.9325824307975094
Energy: 0.9293617437201962
Energy: 2.0533437214705237
Energy: 0.9293617437201962
Energy: 0.937328737308005
Energy: 0.9309693879679151
Energy: 2.0907853926403237
Energy: 0.9309693879687426
Energy: 1.1516601502869142
Energy: 0.9339189622322461
Energy: 2.0457819609825734
Energy: 0.9339189622322461
Energy: 1.1309546620551665
Energy: 0.9276802426203018
Energy: 2.051319744882564
Energy: 0.9276802426211294
Energy: 1.1296366488232792
Energy: 0.932301363657596
Energy: 1.7267242391967068
Energy: 0.9323013636584235
Energy: 1.5379763895120484
Energy: 0.9307822088804805
Energy: 1.7240725239241093
Energy: 0.9307822088804805
Energy: 1.5757589706814883
Energy: 0.9312059416884804
Energy: 1.8862153196746567
Energy: 0.9312059416901355
Energy: 1.5391852726249675
Energy: 0.9311390597693621
Energy: 1.7637313432824135
Energy: 0.9311390597743272
Energy: 1.9176829740278238
Energy: 1.0194735294961939
Energy: 1.7480711034108518
Energy: 1.0194735294953663
Energy: 1.5380979150672835
Energy: 1.0208598934051476
Energy: 1.5408854679821513
Energy: 1.020859893405975
Energy: 1.8851949376537236
Energy: 0.9299395929270823
Energy: 1.3309813593391897
Energy: 0.9299395929270823
Energy: 1.9216977607987602
Energy: 0.9302192990131688
Energy: 1.5525136732782048
Energy: 0.9302192990139965
Energy: 1.9260451234753762
Energy: 0.9327458249953475
Energy: 1.147490393434367
Energy: 0.9327458249970028
Energy: 2.052615375135269
Energy: 1.131567944322288
Energy: 1.1291010171807798
Energy: 1.131567944327253
Energy: 1.8849491994706313
Energy: 0.9371279311251287
Energy: 1.1431085828203063
Energy: 0.9371279311251287
Energy: 1.891623833123851
Energy: 0.9346258618814794
Energy: 0.929230274031921
Energy: 0.9346258618814794
Energy: 2.2195121746589175
Energy: 0.9292764912431687
Energy: 0.9314942349664239
Energy: 0.9292764912439962
Energy: 2.046560508010784
Energy: 0.9364602595378265
Energy: 0.9295642600070241
Energy: 0.9364602595378265

minimum gb energy = 0.9276802426203018 eV
minimum distance =  2.24764257356073 Angstroms
sigma value = 15


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

Energy: 2.0232159017287517
Energy: 0.9160194780406394
Energy: 0.8619427792597296
Energy: 0.862123290092936
Energy: 2.274066728386896
Energy: 0.8589883477120743
Energy: 1.0342013185790997
Energy: 0.8589883477120743
Energy: 2.1509747387652576
Energy: 0.8569045298869898
Energy: 1.0333357782105304
Energy: 0.8569045298820827
Energy: 1.881491338705921
Energy: 0.8618648618477776
Energy: 1.3930356806827466
Energy: 0.8618648618505816
Energy: 1.988854434942989
Energy: 0.8536616164967513
Energy: 1.3878093464851604
Energy: 0.8536616165044626
Energy: 1.862572562736857
Energy: 0.8611558401238214
Energy: 1.37598065859577
Energy: 0.8611558401245224
Energy: 1.549678855840536
Energy: 0.8559401462050921
Energy: 1.6929497491451833
Energy: 0.8559401462064941
Energy: 1.702593868937473
Energy: 0.9400815131089416
Energy: 1.3975362099478665
Energy: 0.9400815131103436
Energy: 1.5669826513511405
Energy: 0.9322429781990939
Energy: 1.7106658177422078
Energy: 0.932242978200496
Energy: 1.564734983360587
Energy: 0.9331578906107164
Energy: 2.0008077009936365
Energy: 0.9331578906086133
Energy: 1.378587463309866
Energy: 0.8568600278040431
Energy: 1.812181088797243
Energy: 0.8568600278047441
Energy: 1.19740041824146
Energy: 0.8544196575511219
Energy: 2.0009787680088773
Energy: 0.8544196575532251
Energy: 1.3889934694450798
Energy: 0.8555746736029524
Energy: 2.0044189623312056
Energy: 0.8555746736029524
Energy: 1.0339770618237365
Energy: 0.8624193364058463
Energy: 1.7001244102690996
Energy: 0.8624193364037431
Energy: 1.0266743010398467
Energy: 0.8546113958409199
Energy: 2.263424789374629
Energy: 0.8546113958409199
Energy: 1.048515908808448
Energy: 0.860054764772096
Energy: 2.0092140242704235
Energy: 0.860054764771395
Energy: 0.8558315401323423
Energy: 0.8628814088064138
Energy: 1.9843224687647176
Energy: 0.8628814088057128
Energy: 0.8552257405991744
Energy: 0.8562192575914451
Energy: 2.1176399281591154
Energy: 0.856219257590744
Energy: 0.8560509068814817
Energy: 0.8598475047676163
Energy: 1.8653016852023179
Energy: 0.8598475047676163
Energy: 1.0333626398057068
Energy: 0.8583804674996095
Energy: 2.1215800944767884
Energy: 0.8583804675003105
Energy: 1.0228833508076085
Energy: 0.8550980005111539
Energy: 2.1192535405949884
Energy: 0.855098000512556
Energy: 1.0227824500908047
Energy: 0.8609841047688236
Energy: 1.8733711365793628
Energy: 0.8609841047674216
Energy: 1.3772504157242318
Energy: 0.8557923501289018
Energy: 1.8579617873962444
Energy: 0.8557923501289018
Energy: 1.3834032259418154
Energy: 0.8577992151571927
Energy: 1.9772748665799262
Energy: 0.8577992151466772
Energy: 1.3934539646290232
Energy: 0.8624896117065274
Energy: 1.59850379136041
Energy: 0.8624896117051253
Energy: 1.7159772802587676
Energy: 0.9327948739929581
Energy: 1.9888740256931594
Energy: 0.9327948740238035
Energy: 1.3732731465776407
Energy: 0.9329549444360384
Energy: 1.7013251018727993
Energy: 0.9329549444332343
Energy: 1.702547142983607
Energy: 0.9339380181135088
Energy: 1.6002009380530515
Energy: 0.9339380181142097
Energy: 1.7202041353077742
Energy: 0.8617927487043934
Energy: 1.693460805342787
Energy: 0.8617927487050943
Energy: 1.7134505859322362
Energy: 0.8552030995164439
Energy: 1.377007065759862
Energy: 0.8552030995164439
Energy: 1.9880948256835513
Energy: 0.8535119147076657
Energy: 1.1975534526766853
Energy: 0.8535119147055628
Energy: 1.702782274554492
Energy: 0.8610276130523259
Energy: 1.3905874218438743
Energy: 0.8610276130502228
Energy: 2.005421546282049
Energy: 0.8576142331241858
Energy: 1.03484412876912
Energy: 0.8576142331234848
Energy: 2.1225166670176723
Energy: 0.8583041306786333
Energy: 1.0378236330073225
Energy: 0.8583041306772312
Energy: 2.2434757685739344
Energy: 0.8679259948888525
Energy: 0.9193531839879284
Energy: 0.8679259948888525
Energy: 2.2807283951463004
Energy: 0.8573944086024327
Energy: 0.8627589920247525
Energy: 0.8573944086024327
Energy: 2.144876075060415
Energy: 0.857946618938668
Energy: 0.8644927426915471
Energy: 0.8579466189379669

minimum gb energy = 0.8535119147055628 eV
minimum distance =  2.24336592594351 Angstroms
sigma value = 85


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

Energy: 2.1568008968015113
Energy: 0.8730185493489412
Energy: 0.7786165945326047
Energy: 0.7754082926146296
Energy: 2.1483265714920585
Energy: 0.7771599635433606
Energy: 0.9217991537304852
Energy: 0.7771599635427527
Energy: 1.923488088738397
Energy: 0.7764020474226442
Energy: 0.921012558492864
Energy: 0.7764020474232524
Energy: 1.6602145228256795
Energy: 0.7748753440811451
Energy: 1.2343022522326468
Energy: 0.7748753440805372
Energy: 2.0291575293915756
Energy: 0.7748977671618293
Energy: 1.2412704830931172
Energy: 0.7748977671642614
Energy: 1.6625768696322143
Energy: 0.775171031426708
Energy: 1.2348220147648603
Energy: 0.775171031426708
Energy: 1.6608756268835012
Energy: 0.7752357707901129
Energy: 1.519751825444651
Energy: 0.7752357707901129
Energy: 1.7808028954075428
Energy: 0.7750926247496489
Energy: 1.2439171881636932
Energy: 0.7750926248480902
Energy: 1.6636946272330504
Energy: 0.7746342883661537
Energy: 1.535202840577136
Energy: 0.7746342883667617
Energy: 1.6677037294337298
Energy: 1.115193775401316
Energy: 1.7959804717631198
Energy: 1.115193775401924
Energy: 1.5187308558732604
Energy: 0.7747351250873089
Energy: 1.6010963728921108
Energy: 0.7747351250903489
Energy: 1.4054395602774028
Energy: 0.7753799177244265
Energy: 1.7965381580391058
Energy: 0.7753799177250343
Energy: 1.5314236718059606
Energy: 0.7748320965709443
Energy: 1.7942482521325513
Energy: 0.7748320965703365
Energy: 1.2339551517899248
Energy: 0.7753781842469887
Energy: 1.5422712079552146
Energy: 0.7753781842475965
Energy: 1.0677403667613292
Energy: 0.7746061746386027
Energy: 2.027333758426794
Energy: 0.7746061746386027
Energy: 1.2372065786029502
Energy: 0.7771489664157784
Energy: 1.7940684708904828
Energy: 0.7771489664133463
Energy: 0.9307294271261706
Energy: 0.7788652968876232
Energy: 1.7820776941156748
Energy: 0.7788652968870151
Energy: 0.9212730082508017
Energy: 0.775123786811678
Energy: 2.150183513293389
Energy: 0.7751237868122861
Energy: 0.9309152400394659
Energy: 0.7751379591509402
Energy: 2.0215093115575393
Energy: 0.7751379591509402
Energy: 0.7756867860480138
Energy: 0.7756477662903595
Energy: 2.0214147677578156
Energy: 0.7756477662909677
Energy: 0.7761814768576143
Energy: 0.7753415377986687
Energy: 2.1509420435412885
Energy: 0.7753415377980608
Energy: 0.7757279118105727
Energy: 0.7759388669344846
Energy: 1.8993327129190132
Energy: 0.7759388669344846
Energy: 0.9315649686675568
Energy: 0.7752301959292981
Energy: 2.1441996452115686
Energy: 0.7752301959292981
Energy: 0.9248645931650297
Energy: 0.7750321873345944
Energy: 2.151013309133306
Energy: 0.7750321873352025
Energy: 0.922124971370156
Energy: 0.7750034062539398
Energy: 1.7809727211792967
Energy: 0.7750034062539398
Energy: 1.2430504627012715
Energy: 0.7753264346111272
Energy: 2.178551754417194
Energy: 0.7753264346105193
Energy: 1.2413306774279933
Energy: 0.7749104198061484
Energy: 1.9245883173208096
Energy: 0.7749104198073644
Energy: 1.5180261694590529
Energy: 0.7758570783128887
Energy: 1.7853476701794175
Energy: 0.7758570783128887
Energy: 1.5369453237221826
Energy: 0.7754487917228061
Energy: 1.9167418029924794
Energy: 0.7754487917215901
Energy: 1.5342986473834594
Energy: 0.7764711284406928
Energy: 1.663968553833012
Energy: 0.7764711286351434
Energy: 1.781711293350469
Energy: 1.1218210852577553
Energy: 1.420798001919077
Energy: 1.1218210852583634
Energy: 1.5326192957921512
Energy: 0.7747650727519295
Energy: 1.6673604735586107
Energy: 0.7747650727531454
Energy: 1.7959097251247493
Energy: 0.776123112269501
Energy: 1.4003738249242426
Energy: 0.776123112268893
Energy: 2.0372434816544938
Energy: 0.7754727758644112
Energy: 1.401741223526826
Energy: 0.7754727758929874
Energy: 1.5981380282514783
Energy: 0.7766443652287938
Energy: 1.2334278347349514
Energy: 0.7766443652330497
Energy: 2.0521983838783697
Energy: 0.7744691922247803
Energy: 1.2411369470429903
Energy: 0.7744691922247803
Energy: 2.0506518309105464
Energy: 0.7753865045362194
Energy: 1.2403359482075669
Energy: 0.7753865045368273
Energy: 1.7920279194197148
Energy: 0.7748783627564264
Energy: 0.9221301686295468
Energy: 0.7748783627552104
Energy: 2.29155779651878
Energy: 0.7747922421625913
Energy: 0.9234720809153486
Energy: 0.7747922421625913
Energy: 2.0229813483736114
Energy: 0.7809384867000815
Energy: 0.9315081297672311
Energy: 0.7809384867006619
Energy: 1.7719780121853228
Energy: 0.7751927073819019
Energy: 0.7755622949440502
Energy: 0.7751927073819019
Energy: 2.150882506585408
Energy: 0.7757358115194232
Energy: 0.7756113655154094
Energy: 0.7757358115194232
Energy: 1.9005290251655667
Energy: 0.7756075946394921
Energy: 0.7753619033885881
Energy: 0.7756075946401002

minimum gb energy = 0.7744691922247803 eV
minimum distance =  2.249242844816 Angstroms
sigma value = 113


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

Energy: 0.020466031023188988
Energy: 0.02163982445209002
Energy: 1.701633903041229
Energy: 0.7594247795126752
Energy: 0.021656706732327353
Energy: 0.17753377992985248
Energy: 1.1183088194652162
Energy: 0.1775337799285022
Energy: 0.021271468031981038
Energy: 0.17488462472883026
Energy: 1.1158278910747161
Energy: 0.17488462472789543
Energy: 0.023114936999839367
Energy: 0.17527489142143224
Energy: 1.1125775046295892
Energy: 0.17527489142189967
Energy: 1.1174056988152226
Energy: 0.17507087457590578
Energy: 1.116631934092981
Energy: 0.1750708745754903
Energy: 0.02108759736336417
Energy: 0.17455627876559265
Energy: 1.1158045575290805
Energy: 0.17455627876606009

minimum gb energy = 0.020466031023188988 eV
minimum distance =  2.45865481206087 Angstroms
sigma value = 1