Model name: model_name=MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_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=4.450350015081894
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083257937189797e-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: 0.018089586654297964
Energy: 0.018369545294889267
Energy: 1.1254326722965975
Energy: 0.16010888835706602
Energy: 0.018369545294889267
Energy: 2.2537876075068155
Energy: 0.16010888835772702
Energy: 2.253787607508762
Energy: 1.1254326722965975
Energy: 0.16010888835772702
Energy: 0.018089586654958967
Energy: 0.018369545295513552
Energy: 0.16010888835772702
Energy: 2.253787607513279
Energy: 0.018369545295513552
Energy: 2.253787607513279

minimum gb energy = 0.018089586654297964 eV
minimum distance =  2.4491200209804 Angstroms
sigma value = 1


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

Energy: 2.0653525193746205
Energy: 1.3178050595851563
Energy: 1.4323621344918596
Energy: 1.4313052608216388
Energy: 1.36170011345683
Energy: 1.445127039553703
Energy: 1.3372865242875294
Energy: 1.445127039553703
Energy: 1.431801278999547
Energy: 1.4313967009943989
Energy: 2.2401106230140515
Energy: 1.4313967009927957
Energy: 1.3432959675028613
Energy: 1.3374775074642242
Energy: 1.3377822862564612
Energy: 1.3374775074626208
Energy: 1.919872688694866
Energy: 1.33919046830167
Energy: 1.3366773467114739
Energy: 1.33919046830167
Energy: 1.424693012651109
Energy: 1.4824114201063643
Energy: 1.351411373148607
Energy: 1.4824114201063643
Energy: 1.4510388340714804
Energy: 1.451957392928795
Energy: 1.9208809376944465
Energy: 1.4519573929295968
Energy: 1.3947202621481276
Energy: 1.3957648997875922
Energy: 1.4558844649485456
Energy: 1.3957648997883938
Energy: 1.6546836071837943
Energy: 1.5260161889451371
Energy: 1.4936699394031903
Energy: 1.5260161889451371
Energy: 1.4499400025880191
Energy: 1.5010372136437018
Energy: 1.4085857507895787
Energy: 1.5010372136429
Energy: 1.4043271349555304
Energy: 1.5263902629164128
Energy: 1.65475341886953
Energy: 1.5263902629172146
Energy: 1.3954244803897895
Energy: 1.5278504461410105
Energy: 1.4599407484497444
Energy: 1.5278504461418123
Energy: 1.4487106557269833
Energy: 1.4516869746902767
Energy: 1.377768156660525
Energy: 1.4516869746902767
Energy: 1.4264058158486028
Energy: 1.4512640434755968
Energy: 1.414045528971924
Energy: 1.4512640434747952
Energy: 1.3770777039139914
Energy: 1.3390191418581538
Energy: 1.3379614901547203
Energy: 1.3390191418589554
Energy: 1.3874788666876863
Energy: 1.33788406957275
Energy: 1.338647249286013
Energy: 1.33788406957275
Energy: 1.4336229409948926
Energy: 1.4311223825210733
Energy: 1.3109211929524305
Energy: 1.4311223825202717
Energy: 1.3381614069574672
Energy: 1.3429344131333427
Energy: 1.3606312593174543
Energy: 1.3429344131333427
Energy: 1.3488951211630757
Energy: 1.4311443733989289
Energy: 1.434989092443001
Energy: 1.4311443733989289
Energy: 1.4213769028727143
Energy: 1.4456700148335169
Energy: 1.343797959627709
Energy: 1.4456700148343185
Energy: 1.3373473676766239
Energy: 1.3445315122217651
Energy: 1.919546220571338
Energy: 1.3445315122217651
Energy: 1.3515151704271695
Energy: 1.3498660117259673
Energy: 1.425299437059517
Energy: 1.3498660117251657
Energy: 1.9214086427120756
Energy: 1.451757216489112
Energy: 1.393439824404548
Energy: 1.451757216489112
Energy: 1.456475834761015
Energy: 1.4621263796288306
Energy: 1.3971481752327488
Energy: 1.462126379629632
Energy: 1.407721642295988
Energy: 1.527458047689345
Energy: 1.6539333751972043
Energy: 1.527458047689345
Energy: 1.4113443461552329
Energy: 1.526727012432747
Energy: 1.4522346028000641
Energy: 1.5267270124335488
Energy: 1.6557795256132661
Energy: 1.527531599372931
Energy: 1.4049831321991688
Energy: 1.527531599372931
Energy: 1.457070881242805
Energy: 1.5235737601014414
Energy: 1.395985194083775
Energy: 1.5235737601014414
Energy: 1.3782220577111624
Energy: 1.4516438898608588
Energy: 1.448803424249263
Energy: 1.451643889860057
Energy: 1.4140847482949161
Energy: 1.4514859488028975
Energy: 1.4234605302268173
Energy: 1.4514859488028975
Energy: 1.33689426244171
Energy: 1.3395362829993875
Energy: 1.3776603930167597
Energy: 1.3395362829993875
Energy: 1.3383812573830898
Energy: 1.337700632631176
Energy: 1.3874285933145896
Energy: 1.3377006326303744
Energy: 1.310688195366576
Energy: 1.342485417676861
Energy: 1.4321598446162442
Energy: 1.342485417676861

minimum gb energy = 1.310688195366576 eV
minimum distance =  2.23440052268101 Angstroms
sigma value = 1


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

Energy: 2.3289251308571988
Energy: 1.3741120767132633
Energy: 1.5043253331369484
Energy: 1.5048570239530819
Energy: 1.4376841885258593
Energy: 1.5120127139970476
Energy: 1.402043740345663
Energy: 1.5120127139979616
Energy: 1.505379111169427
Energy: 1.5057220966037617
Energy: 2.1407216712925194
Energy: 1.5057220966028477
Energy: 1.408370628989366
Energy: 1.401581119308026
Energy: 1.4012759429355748
Energy: 1.4015811193071122
Energy: 2.141453294978575
Energy: 1.402591503016672
Energy: 1.4017926653776622
Energy: 1.402591503014844
Energy: 1.5028442003726423
Energy: 1.5611170278149198
Energy: 1.415962662010698
Energy: 1.5611170278167479
Energy: 1.4742903134337588
Energy: 1.5364513372995443
Energy: 1.8013391079353944
Energy: 1.5364513373004582
Energy: 1.4650266057061232
Energy: 1.4651296108746967
Energy: 1.5366966794543855
Energy: 1.4651296108737826
Energy: 1.8034177463724363
Energy: 1.6086068816947954
Energy: 1.6549177142160636
Energy: 1.6086068816947954
Energy: 1.538768340142103
Energy: 1.5791695715982845
Energy: 1.4657625719398886
Energy: 1.5791695715973704
Energy: 1.4486515763541576
Energy: 1.5363355014678033
Energy: 1.5440214756562363
Energy: 1.5363355014678033
Energy: 1.4907804723577747
Energy: 1.5362835632231542
Energy: 1.5038329153394954
Energy: 1.5362835632231542
Energy: 1.4031940931758886
Energy: 1.4025299941714626
Energy: 1.951080511247285
Energy: 1.4025299941732907
Energy: 1.4016599441552189
Energy: 1.4016892443730622
Energy: 1.4560662177592316
Energy: 1.4016892443730622
Energy: 1.366778680825913
Energy: 1.5053928143438016
Energy: 1.5043319860254865
Energy: 1.5053928143428874
Energy: 1.432900299828808
Energy: 1.4091172161380516
Energy: 1.4017248124808808
Energy: 1.4091172161380516
Energy: 1.5048410269303876
Energy: 1.5052054593690112
Energy: 1.4131882421292812
Energy: 1.505205459370839
Energy: 1.4088178446198671
Energy: 1.5142462045700673
Energy: 1.5023262535628088
Energy: 1.5142462045709815
Energy: 1.4148001510518209
Energy: 1.4094089307394053
Energy: 1.4031058663192364
Energy: 1.409408930740319
Energy: 1.5040848826223694
Energy: 1.4024044962049083
Energy: 1.4171917199192667
Energy: 1.4024044962039943
Energy: 1.470138302163125
Energy: 1.5369047300003307
Energy: 1.8012856103606856
Energy: 1.5369047299985028
Energy: 1.4644197234607614
Energy: 1.536847266132407
Energy: 1.5375209603842972
Energy: 1.5368472661314931
Energy: 1.8027161124399893
Energy: 1.6084320315838854
Energy: 1.472526426267706
Energy: 1.6084320315820573
Energy: 1.5379850760837845
Energy: 1.608195383239989
Energy: 1.4661885901207385
Energy: 1.6081953832418168
Energy: 1.449312379619887
Energy: 1.5365114536370632
Energy: 1.542828813025359
Energy: 1.5365114536370632
Energy: 1.4912075961975884
Energy: 1.5399359858486454
Energy: 1.5030285061766981
Energy: 1.5399359858477313
Energy: 1.4016008048228183
Energy: 1.4024349097406226
Energy: 1.447941428689106
Energy: 1.4024349097406226
Energy: 1.4027165859045567
Energy: 1.4025779909377742
Energy: 1.4555630440744063
Energy: 1.4025779909377742
Energy: 1.3667341586292774
Energy: 1.4089833638889449
Energy: 1.5040306422885474
Energy: 1.4089833638871168

minimum gb energy = 1.3667341586292774 eV
minimum distance =  2.23241374385044 Angstroms
sigma value = 25


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

Energy: 2.206752346139667
Energy: 1.4334612546553809
Energy: 1.5845442821686462
Energy: 1.5843131439663385
Energy: 1.5170455504113831
Energy: 1.5814254277885902
Energy: 1.4715390739935408
Energy: 1.5814254277885902
Energy: 1.5838612594759494
Energy: 1.5852061797049468
Energy: 2.005736480639088
Energy: 1.5852061797049468
Energy: 1.482141471613162
Energy: 1.4727801059755046
Energy: 1.4721640112425918
Energy: 1.4727801059765668
Energy: 2.0066244975295255
Energy: 1.4722992423248207
Energy: 1.4723153814362624
Energy: 1.4722992423258834
Energy: 1.5864297709395945
Energy: 1.6444236768272387
Energy: 1.483897580502042
Energy: 1.6444236768272387
Energy: 1.5524382309075382
Energy: 1.6371795545119332
Energy: 1.660944006354643
Energy: 1.6371795545108707
Energy: 1.53063891319194
Energy: 1.6448295404730107
Energy: 1.630833590171095
Energy: 1.6448295404730107
Energy: 1.661519997260155
Energy: 1.6366651726182713
Energy: 1.8120006435204365
Energy: 1.6366651726182713
Energy: 1.608894136316195
Energy: 1.6370221308719892
Energy: 1.483906379730464
Energy: 1.6370221308719892
Energy: 1.4232292925294545
Energy: 1.472179211678272
Energy: 1.4707080954655587
Energy: 1.4721792116772097
Energy: 1.528288796586699
Energy: 1.4720361068609522
Energy: 1.4712415446711846
Energy: 1.4720361068609522
Energy: 1.5837970406634387
Energy: 1.5846783441916323
Energy: 1.4215395958408048
Energy: 1.5846783441916323
Energy: 1.4945069341897428
Energy: 1.482437685187927
Energy: 1.5185540125859693
Energy: 1.482437685187927
Energy: 2.0037094058623888
Energy: 1.5852487842497278
Energy: 1.585907009402902
Energy: 1.5852487842497278
Energy: 1.597691927880633
Energy: 1.58211046099461
Energy: 1.481948557337654
Energy: 1.58211046099461
Energy: 1.4721197358205798
Energy: 1.4821576177204527
Energy: 2.005733521373904
Energy: 1.4821576177215152
Energy: 1.4861135742784135
Energy: 1.4716571369417988
Energy: 1.5859510411591715
Energy: 1.471657136940736
Energy: 1.6612870002748101
Energy: 1.6369391662382522
Energy: 1.5980448582920526
Energy: 1.6369391662382522
Energy: 1.632597376452851
Energy: 1.6369634118896947
Energy: 1.5330263568613263
Energy: 1.636963411888632
Energy: 1.5243616569137293
Energy: 1.6367118839506474
Energy: 1.6610906293873884
Energy: 1.6367118839506474
Energy: 1.5784154998071143
Energy: 1.642304187902003
Energy: 1.5991882663243846
Energy: 1.642304187902003
Energy: 1.4720350660261352
Energy: 1.4726177091331683
Energy: 1.4250054622309147
Energy: 1.472617709134231
Energy: 1.47197182332609
Energy: 1.4720096148121855
Energy: 1.5285387199937006
Energy: 1.472009614811123
Energy: 1.423912975203323
Energy: 1.4825674196314185
Energy: 1.5840006511670606
Energy: 1.4825674196324812

minimum gb energy = 1.4215395958408048 eV
minimum distance =  2.23661167094467 Angstroms
sigma value = 9


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

Energy: 2.022734339563116
Energy: 1.4867060041251026
Energy: 1.6681683682541226
Energy: 1.6671039758695527
Energy: 1.617921116149793
Energy: 1.6436952418282926
Energy: 1.5473717837995131
Energy: 1.6436952418270252
Energy: 1.667673244410364
Energy: 1.6678137195710658
Energy: 2.3690834123139983
Energy: 1.6678137195710658
Energy: 1.5322775210641553
Energy: 1.5463111525058486
Energy: 1.5467694653932575
Energy: 1.546311152504581
Energy: 1.8199962924171613
Energy: 1.5471604066359017
Energy: 1.5459058330350524
Energy: 1.5471604066371691
Energy: 1.7615380347787708
Energy: 1.7993449164228486
Energy: 1.5485029738412877
Energy: 1.7993449164228486
Energy: 1.6185166852797455
Energy: 1.7501373177334438
Energy: 1.824594361912651
Energy: 1.7501373177321764
Energy: 1.5490011278134985
Energy: 1.7617692363034883
Energy: 1.7613697361944007
Energy: 1.7617692363022208
Energy: 1.545744687407381
Energy: 1.547825085006489
Energy: 1.4704892241149223
Energy: 1.5478250850052213
Energy: 1.5463689362824495
Energy: 1.546177516535708
Energy: 1.6044578923147828
Energy: 1.546177516535708
Energy: 2.02679266996479
Energy: 1.6665716532210946
Energy: 1.6668572563552824
Energy: 1.6665716532185597
Energy: 1.5845906494723951
Energy: 1.564024823972126
Energy: 1.547156361110463
Energy: 1.564024823972126
Energy: 1.6686586029587203
Energy: 1.6677058962626046
Energy: 1.5272079416342708
Energy: 1.6677058962626046
Energy: 1.5652276896242416
Energy: 1.6436333891848887
Energy: 1.6640752677387745
Energy: 1.6436333891848887
Energy: 1.820675751374837
Energy: 1.5640664120473675
Energy: 1.550668443033386
Energy: 1.5640664120486352
Energy: 1.7608297917499727
Energy: 1.5467460579440566
Energy: 1.5467055033100072
Energy: 1.5467460579440566
Energy: 1.663988083640355
Energy: 1.7502753836755187
Energy: 1.824208000713165
Energy: 1.7502753836767861
Energy: 1.5851591782325931
Energy: 1.749655174382519
Energy: 1.759589654419652
Energy: 1.7496551743812514
Energy: 1.54436557959142
Energy: 1.548986605117938
Energy: 1.4700483496581205
Energy: 1.548986605117938
Energy: 1.54688572386514
Energy: 1.5471396162046962
Energy: 1.4701121643320787
Energy: 1.5471396162199065
Energy: 1.4680102075230819
Energy: 1.5639204959064867
Energy: 1.6673483739103905
Energy: 1.5639204959077544

minimum gb energy = 1.4680102075230819 eV
minimum distance =  2.22948978639697 Angstroms
sigma value = 25


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

Energy: 1.7545630156026129
Energy: 1.5155767244223015
Energy: 1.7444537249824503
Energy: 1.7439470320932946
Energy: 1.494250371360357
Energy: 1.626678808707001
Energy: 1.5453965865711625
Energy: 1.626678808707001
Energy: 1.7437750427937604
Energy: 1.744839414237208
Energy: 2.1465036261695984
Energy: 1.744839414237208
Energy: 1.7013741897494672
Energy: 1.6281071473430277
Energy: 1.5460679632873013
Energy: 1.6281071473430277
Energy: 1.6246209574699375
Energy: 1.6325499490938327
Energy: 1.5465641616776582
Energy: 1.6325499490938327
Energy: 1.9066591582343921
Energy: 1.6316552655677155
Energy: 1.5448410458995838
Energy: 1.6316552655708505
Energy: 1.7605006686519467
Energy: 1.6330555833342804
Energy: 1.6289600173402625
Energy: 1.633055583332713
Energy: 1.49445886383676
Energy: 1.7295676653907286
Energy: 1.6528095097400946
Energy: 1.7295676653907286
Energy: 1.7427651750995463
Energy: 1.7428799377638622
Energy: 1.8949037009106233
Energy: 1.7428799377638622
Energy: 1.5455331702099042
Energy: 1.5025085447571975
Energy: 1.8945864508894694
Energy: 1.5025085447571975
Energy: 2.1461314592984886
Energy: 1.744660515399335
Energy: 1.747193695669743
Energy: 1.744660515399335
Energy: 1.6935707261066177
Energy: 1.6269664890608635
Energy: 1.6998204872538818
Energy: 1.6269664890608635
Energy: 1.5479350080922283
Energy: 1.5016652652709572
Energy: 1.624768778585522
Energy: 1.5016652652631193
Energy: 1.547371665088158
Energy: 1.6335034755765812
Energy: 1.9081470061624397
Energy: 1.6335034755781486
Energy: 1.6271640181280618
Energy: 1.6312974101770024
Energy: 1.4939761471796313
Energy: 1.6312974101691646
Energy: 1.5449168916144755
Energy: 1.6529728582591825
Energy: 1.494375007308686
Energy: 1.6529728582591825
Energy: 1.4940749031354796
Energy: 1.5028368935150982
Energy: 1.7440882105776876
Energy: 1.5028368935150982

minimum gb energy = 1.4939761471796313 eV
minimum distance =  2.30994499827295 Angstroms
sigma value = 17


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

Energy: 2.4267865702324833
Energy: 1.7971551246209665
Energy: 1.9344188970307004
Energy: 1.9348791271650678
Energy: 1.7925463988586205
Energy: 1.629378032362593
Energy: 1.9158373418812848
Energy: 1.629378032362593
Energy: 1.6609424465428126
Energy: 1.6612429792444539
Energy: 2.206249284101099
Energy: 1.6612429792444539
Energy: 1.6250493159815307
Energy: 1.6272601139261913
Energy: 1.916592905525792
Energy: 1.6272601139261913
Energy: 1.8263979090598004
Energy: 1.7623946902649368
Energy: 1.667300719009226
Energy: 1.7623946902649368
Energy: 1.9140506550244958
Energy: 1.7647905084833748
Energy: 1.7164915134308443
Energy: 1.7647905084842628
Energy: 1.9882208755170543
Energy: 1.6604842730366591
Energy: 1.658315143693094
Energy: 1.6604842730375469
Energy: 2.041892769043175
Energy: 1.6255410949966658
Energy: 1.676375236237533
Energy: 1.6255410949966658
Energy: 1.9360356089227129
Energy: 1.9353420604075484
Energy: 2.209706630224123
Energy: 1.9353420604075484
Energy: 1.883628639062496
Energy: 1.730104141234574
Energy: 1.9136335661120865
Energy: 1.730104141234574
Energy: 1.8262409894420895
Energy: 1.5997775218934702
Energy: 1.6170452695975304
Energy: 1.5997775218943577
Energy: 1.8836061019535202
Energy: 1.6001516159708657
Energy: 1.5980445389045723
Energy: 1.600151615969978
Energy: 1.7209125028550942
Energy: 1.5995575630125636
Energy: 1.597797333370954
Energy: 1.5995575630116756
Energy: 1.721201490504757
Energy: 1.626927322782923
Energy: 1.6149091357415328
Energy: 1.6269273227846985
Energy: 1.9358702891969453
Energy: 1.883723676254992
Energy: 2.0372364449842943
Energy: 1.8837236762558798
Energy: 1.9366132119191641
Energy: 1.918069239102539
Energy: 2.0370539449584713
Energy: 1.9180692391016512
Energy: 1.8800152086890267
Energy: 1.6247396451800786
Energy: 1.6625312527537037
Energy: 1.6247396451809664
Energy: 1.8794529308179289
Energy: 1.6247395651383578
Energy: 1.659134799481192
Energy: 1.6247395651383578
Energy: 1.7138957347960122
Energy: 1.8165028316012921
Energy: 1.7328207950419574
Energy: 1.8165028316012921
Energy: 1.664611077582636
Energy: 1.7657459108839852
Energy: 1.7165715286172294
Energy: 1.7657459108848732
Energy: 1.6244613531360381
Energy: 1.624871071817604
Energy: 1.8904451024483093
Energy: 1.6248710718167163
Energy: 1.6606596980804291
Energy: 1.6731416043675593
Energy: 1.9818732506312384
Energy: 1.6731416043666718
Energy: 1.9138747593836454
Energy: 1.7292145515316035
Energy: 1.7889543154591034
Energy: 1.7292145515307158
Energy: 2.2073419083875034
Energy: 1.9349986495412297
Energy: 1.9359210293213598
Energy: 1.9349986495412297
Energy: 1.5631373810940044
Energy: 1.59867416450058
Energy: 1.8841502862384312
Energy: 1.59867416450058
Energy: 1.5979606308185028
Energy: 1.6000552660822769
Energy: 1.82760685297976
Energy: 1.6000552660831646
Energy: 1.6162818196974094
Energy: 1.7025087641531207
Energy: 2.0476144232509004
Energy: 1.7025087641522332
Energy: 1.5982195527502983
Energy: 1.5996680715040472
Energy: 1.9881411729882676
Energy: 1.599668071505823
Energy: 1.74094368614202
Energy: 1.628728714464156
Energy: 1.720526844166738
Energy: 1.6287287144659315
Energy: 2.4283886330122004
Energy: 1.9355725886893786
Energy: 1.9341058749783768
Energy: 1.935572588688491

minimum gb energy = 1.5631373810940044 eV
minimum distance =  2.2357423629123 Angstroms
sigma value = 53


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

Energy: 2.1601099539756414
Energy: 1.4607642326654018
Energy: 1.7766212459497053
Energy: 1.7753891226182388
Energy: 2.092184717044966
Energy: 1.5451981275054345
Energy: 1.766071725655371
Energy: 1.5451981275054345
Energy: 1.7756977207573168
Energy: 1.778074034773742
Energy: 1.7904739700971775
Energy: 1.778074034773742
Energy: 1.766032504245256
Energy: 1.5467266646428022
Energy: 1.7983028558160767
Energy: 1.5467266646428022
Energy: 1.8011744506167546
Energy: 1.5451805875744837
Energy: 1.4291298960834475
Energy: 1.5451805875744837
Energy: 1.7629459207712679
Energy: 1.5471716221321465
Energy: 1.4295362790653399
Energy: 1.5471716221321465
Energy: 2.1437622855720133
Energy: 1.7751174481981982
Energy: 1.774075648046794
Energy: 1.7751174481961545
Energy: 2.117395637800336
Energy: 1.5470749164956386
Energy: 1.7766550931897793
Energy: 1.5470749164956386
Energy: 1.7772630035421386
Energy: 1.77708531987348
Energy: 1.7930842691504065
Energy: 1.77708531987348
Energy: 1.7647633713632271
Energy: 1.5469139807461645
Energy: 1.7664177836304404
Energy: 1.5469139807482082
Energy: 1.798627570610253
Energy: 1.5476172421403414
Energy: 1.4298118678990483
Energy: 1.5476172421382977
Energy: 1.7679688984438875
Energy: 1.5452822072426085
Energy: 1.4289489314143908
Energy: 1.5452822072426085
Energy: 2.1387298854100867
Energy: 1.5472493865498287
Energy: 1.7766888665556355
Energy: 1.5472493865498287

minimum gb energy = 1.4289489314143908 eV
minimum distance =  2.29569704950012 Angstroms
sigma value = 9


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

Energy: 2.222759352612137
Energy: 1.9971796117546492
Energy: 2.0617053042095153
Energy: 2.060459817930255
Energy: 1.6690381077676748
Energy: 1.6035976911589793
Energy: 2.1146223018369086
Energy: 1.6035976911597358
Energy: 1.6009084810591103
Energy: 1.6030597527841137
Energy: 2.015225834447875
Energy: 1.6030597527810875
Energy: 1.6023378660238983
Energy: 1.603084238685423
Energy: 2.1577769830424804
Energy: 1.6030842386846667
Energy: 1.6060238667311213
Energy: 1.6008340166900206
Energy: 2.1482812623745167
Energy: 1.6008340166892643
Energy: 1.6789098452392657
Energy: 1.602346090041491
Energy: 2.144245251714009
Energy: 1.602346090037709
Energy: 1.9838641386981275
Energy: 2.052974978743762
Energy: 2.0453406040615527
Energy: 2.052974978743762
Energy: 1.9801701547205965
Energy: 1.803381608617008
Energy: 2.045864126965084
Energy: 1.8033816086162515
Energy: 1.7196919136110271
Energy: 1.733706154825867
Energy: 1.7384134865137175
Energy: 1.733706154825867
Energy: 1.6133961872881712
Energy: 1.6873937521030842
Energy: 2.0102704717470496
Energy: 1.687393752104597
Energy: 1.7743100288380067
Energy: 1.7601835625025546
Energy: 2.0037333373760746
Energy: 1.7601835625025546
Energy: 1.794479106469123
Energy: 1.8911975343041547
Energy: 2.205664550638618
Energy: 1.8911975343033984
Energy: 2.099493998147173
Energy: 1.7926356081914239
Energy: 1.8525776457096377
Energy: 1.792635608189911
Energy: 2.1060118818921616
Energy: 1.8000813234834365
Energy: 1.8424267620966512
Energy: 1.80008132348268
Energy: 1.9541073896914982
Energy: 1.7623435952021616
Energy: 1.7718073066588207
Energy: 1.7623435952067001
Energy: 1.8753169021195193
Energy: 1.843324740334969
Energy: 1.7596989710472142
Energy: 1.8433247403326998
Energy: 1.9459730985675325
Energy: 1.8099361831080407
Energy: 1.8967770514524709
Energy: 1.809936183105015
Energy: 1.944838675426666
Energy: 1.9407079705056065
Energy: 2.084812360235203
Energy: 1.9407079705018242
Energy: 1.9084306504812456
Energy: 1.836653313441588
Energy: 1.6513957593424367
Energy: 1.8366533134423444
Energy: 2.014323491133169
Energy: 1.687117030635335
Energy: 1.6799859903461256
Energy: 1.6871170306330656
Energy: 2.094518163831358
Energy: 1.6801828539155643
Energy: 1.6823063548866335
Energy: 1.6801828539185901
Energy: 2.140667557209908
Energy: 1.63350993611273
Energy: 1.6355197113022522
Energy: 1.63350993611273
Energy: 2.1443875656751192
Energy: 1.6355948146834343
Energy: 1.7089627312428515
Energy: 1.6355948146864603
Energy: 2.060998144558843
Energy: 2.045034179913362
Energy: 2.103542687140855
Energy: 2.045034179915631
Energy: 2.0855418639225656
Energy: 1.8005268774402432
Energy: 2.101375934827262
Energy: 1.8005268774402432
Energy: 1.7422798238523618
Energy: 1.7768761621687006
Energy: 1.7247067978928814
Energy: 1.7768761621716576
Energy: 2.0100895490169237
Energy: 1.6461529892105586
Energy: 1.6123800266287527
Energy: 1.6461529892090456
Energy: 2.0772237576657733
Energy: 1.7607890599754334
Energy: 1.7670368320143657
Energy: 1.76078905997619
Energy: 2.224839088475327
Energy: 1.8170167193989435
Energy: 1.7765879021702058
Energy: 1.8170167194012128
Energy: 1.8344439306385465
Energy: 1.7599451657685785
Energy: 1.9867086870398578
Energy: 1.759945165767822
Energy: 1.7945013053824213
Energy: 1.7688074838173633
Energy: 2.019560687757387
Energy: 1.768807483814337
Energy: 1.756160294298609
Energy: 1.7435517689286504
Energy: 2.0266755153835896
Energy: 1.7435517689271376
Energy: 1.6888709936753916
Energy: 1.7677236795868971
Energy: 1.8801131871870718
Energy: 1.7677236795891664
Energy: 1.772248802616496
Energy: 1.7813239123778692
Energy: 1.9205913046810594
Energy: 1.7813239123793823
Energy: 2.223773636165325
Energy: 2.0550265857429246
Energy: 2.0595320849457526
Energy: 2.0550265857444376

minimum gb energy = 1.6008340166892643 eV
minimum distance =  2.22111093942696 Angstroms
sigma value = 73


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

Energy: 2.1855155052843904
Energy: 1.6981307891110182
Energy: 1.9647555707920594
Energy: 1.8884881942394995
Energy: 1.7258670187533411
Energy: 1.647317074279931
Energy: 1.698561026303711
Energy: 1.6473170742811314
Energy: 1.6475539588477675
Energy: 1.6478719237607347
Energy: 1.8691998482404324
Energy: 1.6478719237595345
Energy: 1.6382399854552538
Energy: 1.6058343067040846
Energy: 2.070296230351178
Energy: 1.6058343067040846
Energy: 1.6390622047848076
Energy: 1.6538038840457343
Energy: 2.086123903855921
Energy: 1.6538038840457343
Energy: 1.8155372294988898
Energy: 1.6384496886372302
Energy: 2.091456021203115
Energy: 1.63844968863603
Energy: 1.8416446137217344
Energy: 2.004827530573667
Energy: 2.012965120228153
Energy: 2.004827530574867
Energy: 1.840306646491864
Energy: 1.9312908596857004
Energy: 1.9374497068424577
Energy: 1.9312908596845004
Energy: 1.7558797049915358
Energy: 1.904082430301109
Energy: 1.903770476437486
Energy: 1.9040824312992228
Energy: 1.6583042530368757
Energy: 1.8633130109906078
Energy: 1.9388651526619651
Energy: 1.8633130109894076
Energy: 1.7826131341429883
Energy: 1.694391990814305
Energy: 1.9556619283768284
Energy: 1.694391990814305
Energy: 1.70514635674263
Energy: 1.690729747188976
Energy: 1.9756401487940547
Energy: 1.690729747188976
Energy: 1.9189953170051464
Energy: 1.8060627062798615
Energy: 1.6894956481229204
Energy: 1.8060627062798615
Energy: 1.8685613466546993
Energy: 1.7612722979474926
Energy: 1.7603537752352234
Energy: 1.7612722979486928
Energy: 1.9763342290358985
Energy: 1.6865975511829718
Energy: 1.6825670147382419
Energy: 1.6865975511829718
Energy: 2.0872098812869018
Energy: 1.691618937576351
Energy: 1.6924485847904864
Energy: 1.691618937576351
Energy: 2.0894477346378957
Energy: 1.845838908856094
Energy: 1.801185641363606
Energy: 1.845838908856094
Energy: 1.9324318512285568
Energy: 1.931716165049566
Energy: 2.6276873283343
Energy: 1.931716165049566
Energy: 1.8754909002500553
Energy: 1.8595037107291843
Energy: 1.840843549602307
Energy: 1.8595037107279841
Energy: 1.786958339909625
Energy: 1.7077525278884214
Energy: 1.6889813806727147
Energy: 1.7077525278884214
Energy: 1.881139669505711
Energy: 1.7134292975028445
Energy: 1.6592385361088307
Energy: 1.7134292975028445
Energy: 2.0804875361009785
Energy: 1.89007271956342
Energy: 1.9563207308054278
Energy: 1.8900727195645655

minimum gb energy = 1.6058343067040846 eV
minimum distance =  2.18366411251236 Angstroms
sigma value = 7


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

Energy: 2.494521574944399
Energy: 1.5848530105272067
Energy: 1.8851194047880817
Energy: 1.8855256877626196
Energy: 1.7954928557919025
Energy: 1.7312646206483637
Energy: 1.9969312949641873
Energy: 1.7312646206466664
Energy: 1.602835815174699
Energy: 1.6019580381501866
Energy: 1.7268171604644735
Energy: 1.6019580381510352
Energy: 1.598551209921278
Energy: 1.603597841585578
Energy: 2.0336993263545504
Energy: 1.6035978415872754
Energy: 1.6322786786951882
Energy: 1.6309110431720661
Energy: 1.8738998565164686
Energy: 1.630911043172915
Energy: 1.6064960623466304
Energy: 1.6345951804071455
Energy: 1.874831274432479
Energy: 1.6345951804088428
Energy: 1.9923911538456947
Energy: 1.6299281132780332
Energy: 1.602689808325587
Energy: 1.6299281132788819
Energy: 1.985925995171638
Energy: 1.6308806224087269
Energy: 1.6335741768487353
Energy: 1.6308806224095755
Energy: 2.1043063984542933
Energy: 1.613362137504334
Energy: 1.6134274458569202
Energy: 1.6133621375017881
Energy: 1.8752526661859776
Energy: 1.8356078783122345
Energy: 1.6065544234916582
Energy: 1.8356078783147807
Energy: 2.0986259671768077
Energy: 1.7388387431267744
Energy: 1.8454326047022969
Energy: 1.7388387431250771
Energy: 1.888035874375694
Energy: 1.8074247573758508
Energy: 2.109448263974148
Energy: 1.8074247573775482
Energy: 1.7325141495023966
Energy: 1.7319043995423558
Energy: 1.8344701427129477
Energy: 1.731904399541507
Energy: 1.731620824261498
Energy: 1.671933373435318
Energy: 1.5771801708045015
Energy: 1.6719333734361668
Energy: 1.8004785956158187
Energy: 1.731921056022349
Energy: 1.5793341817747417
Energy: 1.7319210560206515
Energy: 2.0478560879350396
Energy: 1.814959944175738
Energy: 1.8878003590979555
Energy: 1.8149599441748896
Energy: 2.0415818546593925
Energy: 1.7389873223076762
Energy: 1.8453449283470855
Energy: 1.738987322283914
Energy: 1.607736441168978
Energy: 1.8353166312307012
Energy: 1.7251172132261585
Energy: 1.8353166312391878
Energy: 1.6100496222077134
Energy: 1.6141100533472796
Energy: 1.8418796045609134
Energy: 1.614110053346431
Energy: 1.7212838590299004
Energy: 1.6354625786816595
Energy: 2.042430121517198
Energy: 1.6354625786799621
Energy: 1.6024433143559629
Energy: 1.6305538684671568
Energy: 1.8803722656527846
Energy: 1.6305538684671568
Energy: 1.9849284851077087
Energy: 1.636545209386613
Energy: 1.6116765260950803
Energy: 1.6365452093815214
Energy: 1.9860667398155147
Energy: 1.6333908347136157
Energy: 1.6326997773473413
Energy: 1.6333908347144643
Energy: 2.0033775505189606
Energy: 1.6147520199142726
Energy: 1.6136064953839424
Energy: 1.614752019913424
Energy: 1.8777491745946908
Energy: 1.6022977965751988
Energy: 1.600453743573938
Energy: 1.6022977965760477
Energy: 1.8813529288853885
Energy: 1.7314879856085164
Energy: 1.6369446581119689
Energy: 1.7314879856102137
Energy: 1.8852283392234972
Energy: 1.8856478600786668
Energy: 2.1803589200247955
Energy: 1.8856478600803641
Energy: 1.7368550777226197
Energy: 1.7369104441040255
Energy: 1.8241012136588932
Energy: 1.736910444105723
Energy: 1.730663668326412
Energy: 1.6749782060702763
Energy: 1.7344471932031384
Energy: 1.6749782060694276
Energy: 1.8379265747895621
Energy: 1.7311579195622913
Energy: 1.5770304926011576
Energy: 1.7311579195622913
Energy: 2.0414444252376294
Energy: 1.739105825260438
Energy: 1.8081305111661135
Energy: 1.7391058416101741

minimum gb energy = 1.5770304926011576 eV
minimum distance =  2.19107359057245 Angstroms
sigma value = 29


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

Energy: 1.4117822018531712
Energy: 1.4139881910673728
Energy: 1.7553310049591704
Energy: 1.8520778533674218
Energy: 1.4155427797100162
Energy: 1.592150796404998
Energy: 1.5527561272451065
Energy: 1.5921507964044395
Energy: 1.7540781659089162
Energy: 1.5425715849627042
Energy: 1.423524853302539
Energy: 1.5425715849632955
Energy: 1.4155738431612739
Energy: 1.442240981198127
Energy: 1.4445156644113915
Energy: 1.442240981197569
Energy: 1.4403731928474077
Energy: 1.4419277126151289
Energy: 1.4162937990104432
Energy: 1.4419277126151289
Energy: 1.444626557139333
Energy: 1.5394010173849941
Energy: 1.4160980165384027
Energy: 1.5394010173852568
Energy: 1.4240432678462525
Energy: 1.543018079351133
Energy: 1.7547011762214644
Energy: 1.5430180793505746
Energy: 1.5546561146900948
Energy: 1.4423317751051443
Energy: 1.4155768474990558
Energy: 1.4423317751057354
Energy: 1.4164562509546679
Energy: 1.4416721582585899
Energy: 1.4426826607139864
Energy: 1.4416721582580316

minimum gb energy = 1.4117822018531712 eV
minimum distance =  2.26645043385085 Angstroms
sigma value = 5


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

Energy: 1.9314372012193886
Energy: 1.4674991638648065
Energy: 1.8309289569698541
Energy: 1.8288559364425454
Energy: 1.818958939468427
Energy: 1.477618715283673
Energy: 1.738702924466757
Energy: 1.477618715283673
Energy: 1.7386646037713933
Energy: 1.58857267513281
Energy: 1.7354413992467659
Energy: 1.5885726751336116
Energy: 1.4960210260160354
Energy: 1.4762084895134207
Energy: 1.8856118567009565
Energy: 1.4762084895158256
Energy: 1.743129271388349
Energy: 1.6039124719030897
Energy: 1.7293426286250033
Energy: 1.6039124719054945
Energy: 1.557981677437912
Energy: 1.4955635377985756
Energy: 1.7306476443861012
Energy: 1.495563537800179
Energy: 1.4769745744333214
Energy: 1.4756662737528332
Energy: 1.883951217026637
Energy: 1.4756662737520316
Energy: 1.4783279870541401
Energy: 1.4785680359792073
Energy: 1.9409591859463766
Energy: 1.4785680359792073
Energy: 1.8190468215488023
Energy: 1.553820884071155
Energy: 1.9589301261275716
Energy: 1.553820884071155
Energy: 1.710257540824484
Energy: 1.4597489931261156
Energy: 1.4593712815177806
Energy: 1.4597489931261156
Energy: 1.6863252227992827
Energy: 1.4587121315430291
Energy: 1.4587935869263826
Energy: 1.4587121315430291
Energy: 1.9569794967209848
Energy: 1.4665637177704829
Energy: 1.457604622294719
Energy: 1.4665637177704829
Energy: 1.9625560938626272
Energy: 1.4641426864817486
Energy: 1.6507337199126593
Energy: 1.4641426864817486
Energy: 1.8175358480515262
Energy: 1.560203450938172
Energy: 1.7303814758730234
Energy: 1.560203450938172
Energy: 1.478090271542128
Energy: 1.4771397296174515
Energy: 1.7322196528137863
Energy: 1.47713972961665
Energy: 1.4780353080256228
Energy: 1.4768462301852856
Energy: 1.7392971742032657
Energy: 1.4768462301949057
Energy: 1.8288554754874267
Energy: 1.4768803734300162
Energy: 1.4951570055079888
Energy: 1.4768803734300162
Energy: 1.8064342826686461
Energy: 1.4790093730713627
Energy: 1.8222966841057833
Energy: 1.4790093730721643
Energy: 1.7176036992569
Energy: 1.5904441205871342
Energy: 1.738829327685414
Energy: 1.5904441205879358
Energy: 1.8826448802614615
Energy: 1.4759721294926422
Energy: 1.4915316799712024
Energy: 1.475972129497452
Energy: 1.7321195735895247
Energy: 1.483611073572625
Energy: 1.742862825544226
Energy: 1.4836110735718233
Energy: 1.7290186729213488
Energy: 1.5579161932631636
Energy: 1.5601010686883348
Energy: 1.5579161932623617
Energy: 1.8884954133135663
Energy: 1.4763639590186908
Energy: 1.4783525282927104
Energy: 1.4763639590186908
Energy: 1.9634408085063944
Energy: 1.477265879744997
Energy: 1.4780789855240009
Energy: 1.477265879744997
Energy: 1.9605616651946483
Energy: 1.5534481479561075
Energy: 1.816539580060324
Energy: 1.5534481479561075
Energy: 1.4641235275371498
Energy: 1.4609481479064506
Energy: 1.71007203452662
Energy: 1.4609481479064506
Energy: 1.4634992712435766
Energy: 1.4583727022461914
Energy: 1.6833990117483106
Energy: 1.4583727022453896
Energy: 1.5001854920162785
Energy: 1.4600186335149279
Energy: 1.4916447599933151
Energy: 1.4600186335141263
Energy: 1.4623212201914535
Energy: 1.4581134696859144
Energy: 1.9377080404919564
Energy: 1.4581134696851128
Energy: 1.7296530493207456
Energy: 1.553407079024164
Energy: 1.8159237607406085
Energy: 1.5534070790249657
Energy: 1.7292143226757857
Energy: 1.4772167236065463
Energy: 1.480378682222683
Energy: 1.4772167236065463
Energy: 1.738197256385772
Energy: 1.4772231347203686
Energy: 1.4793583589757735
Energy: 1.4772231347219718
Energy: 1.496543612337692
Energy: 1.4759666743339166
Energy: 1.5603884889602544
Energy: 1.4759666743363216

minimum gb energy = 1.457604622294719 eV
minimum distance =  2.22438159493679 Angstroms
sigma value = 1


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

Energy: 2.2542122422710555
Energy: 1.4941537575415387
Energy: 1.818006298116013
Energy: 1.817193875387395
Energy: 1.697683859634848
Energy: 1.4428368853806595
Energy: 1.7784887301000205
Energy: 1.4428368853795508
Energy: 1.7749603118503148
Energy: 1.5904535901755905
Energy: 1.7760101852624302
Energy: 1.5904535901744818
Energy: 1.5957682895156693
Energy: 1.745548475830796
Energy: 1.7781082950005462
Energy: 1.745548475830796
Energy: 1.7821132730431994
Energy: 1.5607279011358524
Energy: 1.6260851539006242
Energy: 1.5607279011358524
Energy: 1.5590648431683796
Energy: 1.4792549521987268
Energy: 1.6254748256497598
Energy: 1.4792549521976182
Energy: 1.447511108832848
Energy: 1.4477139400411154
Energy: 1.7785720353670318
Energy: 1.4477139400411154
Energy: 1.4493051405802198
Energy: 1.4522001420639654
Energy: 1.9371124612820314
Energy: 1.4522001420628567
Energy: 1.4990327272275101
Energy: 1.555289578579425
Energy: 1.9359116022316396
Energy: 1.5552895785783165
Energy: 1.9005547703593437
Energy: 1.3993536004589946
Energy: 1.5676300339860358
Energy: 1.3993536004601028
Energy: 1.4992147239355915
Energy: 1.412877849577771
Energy: 1.5695709871884973
Energy: 1.412877849577771
Energy: 2.0490843296081556
Energy: 1.3981703107751544
Energy: 1.529311070078228
Energy: 1.3981703107762629
Energy: 2.0781204633197077
Energy: 1.3975763703631716
Energy: 1.5560078731016103
Energy: 1.3975763703642803
Energy: 1.9143152013461413
Energy: 1.3961308457130308
Energy: 1.894624688136385
Energy: 1.3961308457130308
Energy: 1.5952765002667548
Energy: 1.708357937129981
Energy: 1.894503465002592
Energy: 1.7083579371310893
Energy: 1.6156393443906103
Energy: 1.4484947718569947
Energy: 1.8651541887157082
Energy: 1.4484947718569947
Energy: 1.6563754658151106
Energy: 1.5409100120251689
Energy: 1.6236886729164788
Energy: 1.5409100120240606
Energy: 1.4743133965378232
Energy: 1.4517838210896457
Energy: 1.6237269893264266
Energy: 1.4517838210896457
Energy: 1.450663365388199
Energy: 1.4487643258231049
Energy: 1.9344718234838711
Energy: 1.4487643258242133
Energy: 1.4488633735541065
Energy: 1.7312254301419046
Energy: 1.949967418293056
Energy: 1.7312254301419046
Energy: 1.9174030418067973
Energy: 1.5573659419238135
Energy: 1.786936240125459
Energy: 1.5573659419238135
Energy: 1.9073123136214396
Energy: 1.4423318415006319
Energy: 1.4427845269078943
Energy: 1.4423318415006319
Energy: 1.986833321982496
Energy: 1.440987114622389
Energy: 1.4415633095043885
Energy: 1.440987114620172
Energy: 1.9334828663102734
Energy: 1.4961761091890953
Energy: 1.4956119504466046
Energy: 1.496176109190204

minimum gb energy = 1.3961308457130308 eV
minimum distance =  2.22224691045414 Angstroms
sigma value = 17


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

Energy: 2.181640939099994
Energy: 1.4091410996326406
Energy: 1.7983699578563226
Energy: 1.7980553276387603
Energy: 1.4185151428455245
Energy: 1.4088685328972705
Energy: 1.6368569348717255
Energy: 1.4088685328993262
Energy: 1.8306744355293332
Energy: 1.7122216107863488
Energy: 1.6275926157471277
Energy: 1.7122216107870338
Energy: 1.7976246103772346
Energy: 1.4940482094524041
Energy: 1.7975716285190182
Energy: 1.4940482094524041
Energy: 1.5682472224023827
Energy: 1.4246331376997632
Energy: 1.998042642761387
Energy: 1.4246331376977077
Energy: 1.4314302100963985
Energy: 1.4225450345501092
Energy: 1.9801688899591101
Energy: 1.4225450345507944
Energy: 1.3944398485123077
Energy: 1.3928281963738505
Energy: 1.492647564464913
Energy: 1.3928281963745355
Energy: 1.4014761616950069
Energy: 1.3955557508242704
Energy: 2.189462677425257
Energy: 1.3955557508235854
Energy: 1.9770512380555019
Energy: 1.3956825863445577
Energy: 1.818312957208252
Energy: 1.3956825863445577
Energy: 1.6040423862703286
Energy: 1.4936362327140114
Energy: 1.635126860351816
Energy: 1.4936362327140114
Energy: 2.07905645843818
Energy: 1.4070113151328036
Energy: 1.4168081222381
Energy: 1.4070113151334889
Energy: 1.9765921059290863
Energy: 1.4108744177957384
Energy: 1.6404045138396453
Energy: 1.4108744177971084
Energy: 1.988571258286209
Energy: 1.4696242013010798
Energy: 1.4777824990356285
Energy: 1.4696242012990246
Energy: 1.8675866297198898
Energy: 1.406931925954568
Energy: 1.4108226140574143
Energy: 1.4069319259538826
Energy: 1.8243429578431005
Energy: 1.4094319226029477
Energy: 1.415846383493094
Energy: 1.4094319226029477
Energy: 2.1415269503645504
Energy: 1.4741892357041333
Energy: 1.8108601024196087
Energy: 1.4741892357048187
Energy: 1.4080748795500941
Energy: 1.5090963276907172
Energy: 1.9887752721390035
Energy: 1.509096327689347
Energy: 1.4121733087087387
Energy: 1.4075754077038338
Energy: 2.0807910359989132
Energy: 1.4075754077038338
Energy: 1.4773320862730206
Energy: 1.4095505468633136
Energy: 1.8177383159318377
Energy: 1.4095505468619434
Energy: 1.4872720324049515
Energy: 1.6266308296363075
Energy: 2.183056297033162
Energy: 1.6266308296117062
Energy: 1.632253867080598
Energy: 1.4093021391697924
Energy: 1.726281877420228
Energy: 1.4093021391691076
Energy: 1.6304934420948822
Energy: 1.709907792117853
Energy: 1.829449040447879
Energy: 1.7099077921171681
Energy: 1.5814901378635045
Energy: 1.3925653647004745
Energy: 1.8272569329354957
Energy: 1.3925653647018446
Energy: 1.9847005504410462
Energy: 1.394235154991273
Energy: 1.6344949767382424
Energy: 1.394235154991958
Energy: 1.9767206546406515
Energy: 1.3981560925731973
Energy: 1.4251673493761066
Energy: 1.3981560925731973
Energy: 1.7450196622066783
Energy: 1.3936498504095454
Energy: 1.3975276957853262
Energy: 1.3936498504102306
Energy: 2.1835990669394603
Energy: 1.3967325199479086
Energy: 1.4056662199010792
Energy: 1.3967325199485938
Energy: 2.0219598674862045
Energy: 1.3948396427717509
Energy: 1.9774279172329254
Energy: 1.3948396427717509
Energy: 1.6301156614616963
Energy: 1.7088773064655307
Energy: 1.6077434969523883
Energy: 1.7088773064655307
Energy: 1.419035018944988
Energy: 1.40630099531716
Energy: 2.0827382374034027
Energy: 1.4063009953164747
Energy: 1.635818852445776
Energy: 1.5030664750700369
Energy: 1.9796567242908247
Energy: 1.5030664750693519
Energy: 1.4723520621512958
Energy: 1.4683058685939951
Energy: 1.981762256950147
Energy: 1.468305868592625
Energy: 1.4073453002568426
Energy: 1.406089971249778
Energy: 1.8636986332552412
Energy: 1.406089971250463
Energy: 1.4212138988871896
Energy: 1.4100192544674293
Energy: 1.7973734137485815
Energy: 1.4100192544687993
Energy: 2.0344622190702073
Energy: 1.471903015989163
Energy: 2.135575410081104
Energy: 1.4719030159884778
Energy: 1.9876264027657968
Energy: 1.411740851616472
Energy: 1.4086854085810054
Energy: 1.411740851616472
Energy: 2.0813924307197866
Energy: 1.4067249109990403
Energy: 1.407960497902777
Energy: 1.4067249109990403
Energy: 1.8235354067451888
Energy: 1.4110855789246208
Energy: 1.4992506881890755
Energy: 1.4110855789246208

minimum gb energy = 1.3925653647004745 eV
minimum distance =  2.23111854023421 Angstroms
sigma value = 89


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

Energy: 2.2967869711329256
Energy: 1.3545650242415828
Energy: 1.2895882267041583
Energy: 1.2894619858192184
Energy: 2.140258829473238
Energy: 1.2892735668973194
Energy: 1.7203680671103507
Energy: 1.2892735668973194
Energy: 1.277810102286124
Energy: 1.4257264211202103
Energy: 1.73887203889076
Energy: 1.4257264211202103
Energy: 1.2792805902891327
Energy: 1.4277125636742176
Energy: 1.4034730604509489
Energy: 1.4277125636742176
Energy: 1.3277012822078578
Energy: 1.2897262435855554
Energy: 1.7317047234436829
Energy: 1.2897262435855554
Energy: 1.2894740099930615
Energy: 1.2898748290309543
Energy: 1.7295863488313317
Energy: 1.2898748290309543
Energy: 1.2873968014928832
Energy: 1.2882043475630316
Energy: 1.4052750679915036
Energy: 1.2882043475630316
Energy: 1.2903703964836268
Energy: 1.2904962139118505
Energy: 2.140438201725543
Energy: 1.290496213910058
Energy: 1.7202644337775461
Energy: 1.4268183511047285
Energy: 2.142172654790423
Energy: 1.4268183511047285
Energy: 1.794692033405306
Energy: 1.4287217812129696
Energy: 1.7453723591132597
Energy: 1.428721781214762
Energy: 1.4041545421231845
Energy: 1.426080161719072
Energy: 1.276881543499458
Energy: 1.4260801617172791
Energy: 1.7293408999507205
Energy: 1.2907193925078035
Energy: 1.4053468928908448
Energy: 1.2907193925078035
Energy: 1.731371674312519
Energy: 1.2911920089289086
Energy: 1.2904880286868352
Energy: 1.2911920089289086
Energy: 1.4040388440796971
Energy: 1.2873277494227098
Energy: 1.2853084289429348
Energy: 1.2873277494227098
Energy: 2.1416452083355826
Energy: 1.2903140363313386
Energy: 1.2903859934897817
Energy: 1.2903140363313386

minimum gb energy = 1.276881543499458 eV
minimum distance =  2.25266174969023 Angstroms
sigma value = 13


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

Energy: 2.0464185726063806
Energy: 1.2727874460568538
Energy: 1.699047374675032
Energy: 1.693843682459561
Energy: 1.9775319467045254
Energy: 1.2415764126843907
Energy: 1.4784229613670727
Energy: 1.241576412687396
Energy: 1.9846313479608915
Energy: 1.24177073065005
Energy: 1.4393037839040843
Energy: 1.241770730647796
Energy: 1.6246348827851531
Energy: 1.3386414410752712
Energy: 1.5052561341633888
Energy: 1.3386414410737686
Energy: 1.8371513957225352
Energy: 1.3338410048271294
Energy: 1.8733047949276986
Energy: 1.3338410048248757
Energy: 1.474130073916334
Energy: 1.242943463800549
Energy: 1.8719809313747906
Energy: 1.2429434637997978
Energy: 1.474294101909705
Energy: 1.242557093977946
Energy: 1.8443713913479807
Energy: 1.242557093977946
Energy: 1.3167180776704916
Energy: 1.2808451545106205
Energy: 2.156907596681384
Energy: 1.280845154509118
Energy: 1.2523554888989188
Energy: 1.243966881699513
Energy: 2.122700402084608
Energy: 1.2439668817032699
Energy: 1.2468120411452346
Energy: 1.241565997103101
Energy: 2.121274880940631
Energy: 1.241565997105355
Energy: 1.242096669714035
Energy: 1.2490837968441446
Energy: 2.047668819034026
Energy: 1.2490837968463986
Energy: 1.8638367517288261
Energy: 1.2415355998889048
Energy: 1.838857947469114
Energy: 1.2415355998851483
Energy: 1.876613497139578
Energy: 1.3229549339401996
Energy: 1.8650122103165654
Energy: 1.3229549339409508
Energy: 1.8282485408142186
Energy: 1.2402680388755163
Energy: 1.6267339634066278
Energy: 1.2402680388762677
Energy: 2.081784327829146
Energy: 1.2431330560956593
Energy: 1.7108217306633864
Energy: 1.243133056096411
Energy: 2.090649804616197
Energy: 1.2442171125248964
Energy: 1.2590143549222739
Energy: 1.2442171125203882
Energy: 1.8477313858997229
Energy: 1.241671713625655
Energy: 1.2424993102684596
Energy: 1.241671713627909
Energy: 2.0498198233002913
Energy: 1.2435602593271171
Energy: 1.2535935151356015
Energy: 1.2435602593293713
Energy: 2.2208448222319763
Energy: 1.2437600512775626
Energy: 1.5113501119149484
Energy: 1.243760051273806
Energy: 2.121476037408342
Energy: 1.2401022673829716
Energy: 1.4343517554663217
Energy: 1.2401022673874793
Energy: 1.6207696607540878
Energy: 1.2468112011691077
Energy: 1.5054856446235205
Energy: 1.2468112011691077
Energy: 1.8333225474650792
Energy: 1.3288169503384812
Energy: 1.8706592867388618
Energy: 1.3288169503362273
Energy: 1.48237112568605
Energy: 1.2428705482372455
Energy: 1.8410183975319487
Energy: 1.2428705482334887
Energy: 1.243758134081307
Energy: 1.24035930802388
Energy: 1.8376471357604707
Energy: 1.240359308026134
Energy: 1.4631534994846342
Energy: 1.2790802369827912
Energy: 2.1528550044654002
Energy: 1.2790802369805372
Energy: 1.282723447330822
Energy: 1.278374062555069
Energy: 2.1442672120950794
Energy: 1.2783740625602598
Energy: 1.2410871616581383
Energy: 1.2402949297346941
Energy: 1.8402721928403034
Energy: 1.2402949297339427
Energy: 1.2414132393136728
Energy: 1.2455532293050733
Energy: 2.0519071619851452
Energy: 1.2455532293080784
Energy: 1.7884228268036553
Energy: 1.242154220555118
Energy: 2.263442447793078
Energy: 1.2421542205558695
Energy: 1.4331706857555886
Energy: 1.3284224430201572
Energy: 1.8427968007327877
Energy: 1.3284224430186544
Energy: 1.847567127727225
Energy: 1.3349668689325696
Energy: 1.6229557254888585
Energy: 1.334966868931818
Energy: 2.0897147773253826
Energy: 1.242722675090374
Energy: 1.844128184090622
Energy: 1.2427226750911253
Energy: 2.0812542623965604
Energy: 1.2441261113254005
Energy: 1.257131123831766
Energy: 1.2441261113291573
Energy: 1.8533566635299388
Energy: 1.2402324301926855
Energy: 1.2411992859482637
Energy: 1.2402324301979448
Energy: 2.224604737097088
Energy: 1.241700533562181
Energy: 1.249833802828747
Energy: 1.2417005335666886

minimum gb energy = 1.2401022673829716 eV
minimum distance =  2.24653975098867 Angstroms
sigma value = 37


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

Energy: 2.0019913527065945
Energy: 1.2565964369870142
Energy: 1.1725179328243602
Energy: 1.1716774355898318
Energy: 2.1695200733653572
Energy: 1.170756963561881
Energy: 1.497956187663108
Energy: 1.1707569635631738
Energy: 1.8994948088586001
Energy: 1.1690813729081855
Energy: 1.5030357574587654
Energy: 1.169081372909478
Energy: 1.9604724076021203
Energy: 1.314162432783383
Energy: 1.7533780531488081
Energy: 1.3141624327846755
Energy: 1.8298897869921993
Energy: 1.3137736982584298
Energy: 1.6319989561594404
Energy: 1.3137736982597226
Energy: 1.3004428812962106
Energy: 1.159871277349734
Energy: 1.896011259916817
Energy: 1.1598712773484412
Energy: 1.3004326717741606
Energy: 1.160800581202199
Energy: 1.761211553181254
Energy: 1.1608005812009063
Energy: 1.388136684162145
Energy: 1.1366292928746495
Energy: 2.1490237447522476
Energy: 1.1366292928746495
Energy: 1.3094585413012148
Energy: 1.1630219117432186
Energy: 2.15004568415017
Energy: 1.1630219117432186
Energy: 1.318321572119223
Energy: 1.133833170865
Energy: 1.7608718116175595
Energy: 1.133833170865
Energy: 1.440746958984341
Energy: 1.4411875974438755
Energy: 1.7966499916705627
Energy: 1.4411875974438755
Energy: 1.634394064971684
Energy: 1.1337660966235017
Energy: 1.7598305801010445
Energy: 1.1337660966235017
Energy: 1.6466319738049906
Energy: 1.1595685781656135
Energy: 1.899718408594
Energy: 1.1595685781656135
Energy: 1.6502074993972826
Energy: 1.2730547729570774
Energy: 1.961872340662713
Energy: 1.2730547729570774
Energy: 1.6319989561581476
Energy: 1.303416474928304
Energy: 1.7611637482831994
Energy: 1.303416474928304
Energy: 1.896011259916817
Energy: 1.3032580095564492
Energy: 1.527534171432416
Energy: 1.3032580095564492
Energy: 1.8307951084042164
Energy: 1.1690705680178763
Energy: 1.3004393009260837
Energy: 1.1690705680165838
Energy: 2.1490237448310685
Energy: 1.1699218427019507
Energy: 1.1605408106332586
Energy: 1.169921842700658
Energy: 2.150045684148877
Energy: 1.1738997506093574
Energy: 1.1699260748038376
Energy: 1.1738997506093574
Energy: 2.0738316208917063
Energy: 1.1708809604200392
Energy: 1.1702398635449143
Energy: 1.1708809604200392

minimum gb energy = 1.1337660966235017 eV
minimum distance =  2.23036490315444 Angstroms
sigma value = 25


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

Energy: 2.2901807231035023
Energy: 1.1126914999676685
Energy: 1.039334893154725
Energy: 1.0353688185254795
Energy: 2.062741677362578
Energy: 1.036948321065135
Energy: 1.2960415723613505
Energy: 1.036948321065135
Energy: 2.083846674550376
Energy: 1.0358494503972666
Energy: 1.2866485517434345
Energy: 1.0358494503962572
Energy: 1.6741672380645933
Energy: 1.0399557798562409
Energy: 1.5934136141141662
Energy: 1.0399557798572503
Energy: 1.962110598962629
Energy: 1.1486006398858535
Energy: 1.8056389472579557
Energy: 1.1486006398848443
Energy: 1.67369436584291
Energy: 1.147603235479555
Energy: 1.7899689965839678
Energy: 1.1476032354805643
Energy: 1.6690489831580815
Energy: 1.0323053636151245
Energy: 1.9075068323347042
Energy: 1.032305363614115
Energy: 1.3005993334242365
Energy: 1.03270248351421
Energy: 1.8786669930696276
Energy: 1.0327024835121914
Energy: 1.3021024247401758
Energy: 1.0350242670962495
Energy: 2.1821548933738635
Energy: 1.035024267097259
Energy: 1.3053697830077189
Energy: 1.0323248550520032
Energy: 1.9821770718532996
Energy: 1.0323248550530126
Energy: 1.1487150597250122
Energy: 1.0324305990332274
Energy: 1.9744202119119971
Energy: 1.0324305990332274
Energy: 1.1608275559141312
Energy: 1.0334605214773065
Energy: 1.9821507077943792
Energy: 1.0334605214752877
Energy: 1.1600220829836656
Energy: 1.0206134223565235
Energy: 1.994915294179883
Energy: 1.0206134223545047
Energy: 1.2207011719351841
Energy: 1.018013269327282
Energy: 1.940084817727436
Energy: 1.018013269324254
Energy: 1.4058684523547715
Energy: 1.0182308158006708
Energy: 1.9499917550469152
Energy: 1.018230815798652
Energy: 1.4008008778042318
Energy: 1.0341227614268669
Energy: 2.050049561244657
Energy: 1.0341227614268669
Energy: 1.7691648061235523
Energy: 1.0341753679041388
Energy: 2.0791096929488324
Energy: 1.0341753679051482
Energy: 1.3972467739807926
Energy: 1.1496551705503384
Energy: 1.7443481454098093
Energy: 1.1496551705503384
Energy: 1.783136633750947
Energy: 1.1475153143721408
Energy: 1.6697712177990174
Energy: 1.14751531437315
Energy: 1.9677106716623245
Energy: 1.144527726210841
Energy: 1.6667408369422785
Energy: 1.1445277262118507
Energy: 1.9759840817490464
Energy: 1.0397362465651687
Energy: 1.2971203592307987
Energy: 1.0397362465651687
Energy: 2.1644021457194023
Energy: 1.0349174660851521
Energy: 1.1488720470422427
Energy: 1.0349174660841427
Energy: 2.0399812398782533
Energy: 1.0393254645286252
Energy: 1.2984438107990304
Energy: 1.0393254645296346
Energy: 1.9778440210068808
Energy: 1.0363912554179853
Energy: 1.036642210871123
Energy: 1.0363912554179853
Energy: 1.9676147577934655
Energy: 1.036590917213572
Energy: 1.0385873665037262
Energy: 1.0365909172115535
Energy: 2.0406948660119126
Energy: 1.0518696091750896
Energy: 1.0468956616241758
Energy: 1.0518696091750896

minimum gb energy = 1.018013269324254 eV
minimum distance =  2.23550840658316 Angstroms
sigma value = 41


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

Energy: 2.329432689433179
Energy: 0.9941381080947284
Energy: 0.933696000473691
Energy: 0.933662632746352
Energy: 2.229309043245735
Energy: 0.929293780775259
Energy: 1.1438509671219808
Energy: 0.929293780775259
Energy: 2.0841865726700957
Energy: 0.928941819553668
Energy: 1.1394482331505957
Energy: 0.928941819553668
Energy: 1.7188984331775699
Energy: 0.93518491955007
Energy: 1.536545255972931
Energy: 0.9351849195533801
Energy: 2.053592875148394
Energy: 0.9277134734796197
Energy: 1.5552516150526219
Energy: 0.9277134734787922
Energy: 1.7502777888766976
Energy: 1.2937892142744847
Energy: 1.5489515580064375
Energy: 1.2937892142744847
Energy: 1.7618320642396799
Energy: 1.024649223672078
Energy: 1.884292262360261
Energy: 1.024649223672078
Energy: 1.7297858887194288
Energy: 1.023006839572578
Energy: 1.5784021792712808
Energy: 1.0230068395717504
Energy: 1.3421169278660905
Energy: 1.2930355122048711
Energy: 1.9173608378807883
Energy: 1.2930355122048711
Energy: 1.3466165828058951
Energy: 0.9275280477126715
Energy: 2.076265137258509
Energy: 0.9275280477134992
Energy: 1.1437456192730273
Energy: 0.9361368438697385
Energy: 2.073910887318337
Energy: 0.9361368438697385
Energy: 1.1325439011128735
Energy: 0.9291510755244455
Energy: 2.23920456163653
Energy: 0.9291510755244455
Energy: 1.1497944120977275
Energy: 0.9316124721104098
Energy: 2.237920814482794
Energy: 0.9316124721104098
Energy: 0.9295736685553608
Energy: 0.9356133829639747
Energy: 1.8822996149726516
Energy: 0.9356133821393096
Energy: 0.9325824446193409
Energy: 0.9293615193929
Energy: 2.0533456596248767
Energy: 0.9293615193920726
Energy: 0.937328870641521
Energy: 0.9309694014819828
Energy: 2.090785446777316
Energy: 0.9309694014811553
Energy: 1.1516601349555287
Energy: 0.933920824294795
Energy: 2.045790306928783
Energy: 0.93392082429645
Energy: 1.130954677403027
Energy: 0.9276824569142029
Energy: 2.0513194134905963
Energy: 0.9276824569191682
Energy: 1.1296366523568817
Energy: 0.9323015453947175
Energy: 1.7267243982137823
Energy: 0.9323015453947175
Energy: 1.5379763509723774
Energy: 0.930781944402174
Energy: 1.724072448123894
Energy: 0.9307819444030015
Energy: 1.5757588234956728
Energy: 0.9312058174570507
Energy: 1.8862153327958007
Energy: 0.9312058174553957
Energy: 1.539185251621808
Energy: 0.9315683527666134
Energy: 1.7637312894147428
Energy: 0.9315683527591657
Energy: 1.917682875624319
Energy: 1.0194735371366472
Energy: 1.7480710700905249
Energy: 1.0194735371358197
Energy: 1.5380978156151555
Energy: 1.020859488427645
Energy: 1.5405019046104658
Energy: 1.0208594884268174
Energy: 1.8851949451502628
Energy: 0.9299353280195282
Energy: 1.3309813815600133
Energy: 0.9299353280170456
Energy: 1.9216977909802886
Energy: 0.9302192850458436
Energy: 1.5525136995685656
Energy: 0.930219285045016
Energy: 1.926045247351422
Energy: 0.9327458679785209
Energy: 1.1474903760740434
Energy: 0.9327458679785209
Energy: 2.0526143859999646
Energy: 1.1318960192515302
Energy: 1.1291010646976558
Energy: 1.1318960196684515
Energy: 1.8849491878684448
Energy: 0.9371281323822611
Energy: 1.1431077528282378
Energy: 0.9371281323822611
Energy: 1.8916238563797563
Energy: 0.9346261240239113
Energy: 0.9292300342044995
Energy: 0.9346261240239113
Energy: 2.219511666079254
Energy: 0.9292764955394474
Energy: 0.9314942486037174
Energy: 0.9292764955394474
Energy: 2.0465641611041607
Energy: 0.9364597538548732
Energy: 0.9295671214103531
Energy: 0.9364597538548732

minimum gb energy = 0.9275280477126715 eV
minimum distance =  2.2476424220295 Angstroms
sigma value = 15


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

Energy: 2.0232159201586777
Energy: 0.916046644013584
Energy: 0.862022997484173
Energy: 0.8624219482129917
Energy: 2.2740667555467375
Energy: 0.8589884138100013
Energy: 1.0342013360381008
Energy: 0.8589884138107025
Energy: 2.1509747528419214
Energy: 0.8569087139206875
Energy: 1.0333360063312496
Energy: 0.8569087139297371
Energy: 1.8814913170202878
Energy: 0.8618658470310012
Energy: 1.3930357119283763
Energy: 0.8618658470310012
Energy: 1.9888545454370228
Energy: 0.853686987892722
Energy: 1.3878093569622305
Energy: 0.8536869878962272
Energy: 1.8625725803381676
Energy: 0.8611537735590434
Energy: 1.3759806934871972
Energy: 0.8611537735604455
Energy: 1.5496788659885055
Energy: 0.8559410726058182
Energy: 1.6929497604077253
Energy: 0.8559410726051172
Energy: 1.702565959471971
Energy: 0.9400897481717502
Energy: 1.397536260459241
Energy: 0.9400897481717502
Energy: 1.5669826657368942
Energy: 0.9322429362204541
Energy: 1.710665814772521
Energy: 0.9322429362197531
Energy: 1.5647349738777672
Energy: 0.9331606183551313
Energy: 2.0008077297678204
Energy: 0.9331606183586364
Energy: 1.3794966564190447
Energy: 0.8568666246628859
Energy: 1.812181151157729
Energy: 0.8568666246635869
Energy: 1.1974005065942552
Energy: 0.8544196650304647
Energy: 2.0009788109137676
Energy: 0.8544196650283616
Energy: 1.388993504824232
Energy: 0.8555746089230796
Energy: 2.004422321238978
Energy: 0.8555746089244816
Energy: 1.0339772902142246
Energy: 0.8624198031692851
Energy: 1.700124254288859
Energy: 0.8624198031699861
Energy: 1.026674307662978
Energy: 0.8546115385328998
Energy: 2.263424802925011
Energy: 0.8546115385328998
Energy: 1.048515885665057
Energy: 0.8600547315390485
Energy: 2.0092140912845315
Energy: 0.8600547315397497
Energy: 0.855832229824998
Energy: 0.8628814534539987
Energy: 1.98432391166135
Energy: 0.8628814534539987
Energy: 0.8552257620115972
Energy: 0.8562192725867117
Energy: 2.117639070750865
Energy: 0.8562192725867117
Energy: 0.8560506291056632
Energy: 0.8598474659736879
Energy: 1.8653017025531062
Energy: 0.8598474659729867
Energy: 1.0336579797570833
Energy: 0.858380762928487
Energy: 2.1209759914552326
Energy: 0.8583807629270849
Energy: 1.022883368048717
Energy: 0.8550979387743287
Energy: 2.1192535759419573
Energy: 0.8550979387743287
Energy: 1.0227824985488647
Energy: 0.860983673947782
Energy: 1.8733712478465039
Energy: 0.8609836739470811
Energy: 1.3772504244858843
Energy: 0.855790213515452
Energy: 1.857961910366046
Energy: 0.855790213516153
Energy: 1.3834023492232734
Energy: 0.8579559190414062
Energy: 1.97727494631102
Energy: 0.8579559190498184
Energy: 1.3934544475356316
Energy: 0.8615863331152275
Energy: 1.598503769597664
Energy: 0.8615863331152275
Energy: 1.7159772125574595
Energy: 0.9325946121546571
Energy: 1.9888739428366866
Energy: 0.9325946121553581
Energy: 1.3732731785416978
Energy: 0.9329555779178261
Energy: 1.7013250314113486
Energy: 0.932955577916424
Energy: 1.702546913899228
Energy: 0.9339642824657025
Energy: 1.6002009691529948
Energy: 0.933964282458756
Energy: 1.72020418250685
Energy: 0.8617888398144051
Energy: 1.693460826738385
Energy: 0.8617888398151061
Energy: 1.713450586221761
Energy: 0.8552003549455471
Energy: 1.3770091907020066
Energy: 0.855200354944846
Energy: 1.988094837457653
Energy: 0.8535121009899512
Energy: 1.1975534612681789
Energy: 0.8535121009906521
Energy: 1.7027862771782474
Energy: 0.8610308181524102
Energy: 1.3905875353033248
Energy: 0.8610308181531111
Energy: 2.0054215444161008
Energy: 0.857614247281404
Energy: 1.0348441817664071
Energy: 0.857614247281404
Energy: 2.122516604156141
Energy: 0.8583041250875442
Energy: 1.0378236408629906
Energy: 0.8583041250868431
Energy: 2.2434738231656506
Energy: 0.8679261106059988
Energy: 0.9193527049190079
Energy: 0.8679261106059988
Energy: 2.2807283964118494
Energy: 0.8573944025509587
Energy: 0.862758990026246
Energy: 0.8573944025516596
Energy: 2.1448761115273096
Energy: 0.8579467002891391
Energy: 0.8644927573364903
Energy: 0.8579467002905413

minimum gb energy = 0.8535121009899512 eV
minimum distance =  2.24336610051655 Angstroms
sigma value = 85


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

Energy: 2.1568009166263584
Energy: 0.8730184901991023
Energy: 0.778686851278802
Energy: 0.7754108167813587
Energy: 2.1485731786728475
Energy: 0.7771599818120772
Energy: 0.9217992770344207
Energy: 0.7771599818120772
Energy: 1.9234881004972726
Energy: 0.7764036904834841
Energy: 0.9210123982980792
Energy: 0.7764036904828763
Energy: 1.66021453695787
Energy: 0.7748742303757359
Energy: 1.2343022117529177
Energy: 0.7748742303757359
Energy: 2.029149411161311
Energy: 0.7749180683443355
Energy: 1.2412704529515524
Energy: 0.774918068357684
Energy: 1.6625768806915542
Energy: 0.7751705297481334
Energy: 1.2348219787647368
Energy: 0.7751705297481334
Energy: 1.6608757508312577
Energy: 0.7752360815349738
Energy: 1.5197518370027745
Energy: 0.7752360815355819
Energy: 1.7808032038223398
Energy: 0.7750545042577676
Energy: 1.243917183046347
Energy: 0.7750545042747641
Energy: 1.6636953308718183
Energy: 0.7746325282008885
Energy: 1.535202843970322
Energy: 0.7746325282008885
Energy: 1.6677037418706953
Energy: 1.1151938352238282
Energy: 1.795980465383364
Energy: 1.1151938352238282
Energy: 1.5187313488312926
Energy: 0.7746747536176962
Energy: 1.6010963761900339
Energy: 0.7746747542886283
Energy: 1.4054395679509628
Energy: 0.775379400084924
Energy: 1.7965381642163132
Energy: 0.7753794000873562
Energy: 1.5314236586092391
Energy: 0.7748301084982068
Energy: 1.7942482481291506
Energy: 0.774830108498815
Energy: 1.233957517659587
Energy: 0.7753763370378328
Energy: 1.5422704006506456
Energy: 0.7753763370378328
Energy: 1.0677403524920337
Energy: 0.7746059524707966
Energy: 2.027333658930047
Energy: 0.7746059524707966
Energy: 1.2372065925725275
Energy: 0.7771322056678891
Energy: 1.7940684786760817
Energy: 0.7771322056678891
Energy: 0.9307308565892383
Energy: 0.7788655707588252
Energy: 1.7820773058089074
Energy: 0.7788655707582172
Energy: 0.9212730233137079
Energy: 0.7751218998445764
Energy: 2.150185798104736
Energy: 0.7751218998445764
Energy: 0.9309153772750891
Energy: 0.7751379275283331
Energy: 2.021509329254677
Energy: 0.7751379275289412
Energy: 0.7755169842992621
Energy: 0.7756470560168612
Energy: 2.0214149240504597
Energy: 0.7756470560168612
Energy: 0.7761814854268744
Energy: 0.7753415473542768
Energy: 2.150959488565071
Energy: 0.775341547353669
Energy: 0.775727891680204
Energy: 0.7759388952915588
Energy: 1.8993327240854718
Energy: 0.7759388952921666
Energy: 0.9315649864257711
Energy: 0.7752301713308757
Energy: 2.144199746985511
Energy: 0.7752301713302676
Energy: 0.9248646096020243
Energy: 0.7750321997131365
Energy: 2.1510132851207504
Energy: 0.7750321997125283
Energy: 0.9221249981799435
Energy: 0.7750038784432819
Energy: 1.7809727238478255
Energy: 0.7750038784444979
Energy: 1.2430504918386909
Energy: 0.7753262897938354
Energy: 2.178551778833188
Energy: 0.7753262897932274
Energy: 1.2413306793279775
Energy: 0.774910501621317
Energy: 1.9245883249384332
Energy: 0.774910501621317
Energy: 1.5180263173020478
Energy: 0.7758576470790401
Energy: 1.7853476645941289
Energy: 0.7758576470790401
Energy: 1.5369453105084367
Energy: 0.7754440022068467
Energy: 1.9167418078946759
Energy: 0.7754440022056306
Energy: 1.5342986311754059
Energy: 0.7763027129953923
Energy: 1.663968584757216
Energy: 0.7763027129893124
Energy: 1.7817113148857409
Energy: 1.1218199004377394
Energy: 1.4207980033926295
Energy: 1.1218199004377394
Energy: 1.5326195447379076
Energy: 0.7747757522774187
Energy: 1.667360494794855
Energy: 0.7747757522768106
Energy: 1.7959097526601617
Energy: 0.7762350088973625
Energy: 1.4003738325309498
Energy: 0.7762350094552614
Energy: 2.0372434778599975
Energy: 0.7753499655445766
Energy: 1.4017412254226371
Energy: 0.7753499655427526
Energy: 1.598138027975472
Energy: 0.7766275959130815
Energy: 1.2334348412400198
Energy: 0.7766275959112575
Energy: 2.0521983739676597
Energy: 0.7744691838242963
Energy: 1.2411369531302685
Energy: 0.7744691838242963
Energy: 2.0506518485649856
Energy: 0.7753865118723652
Energy: 1.2403359399103882
Energy: 0.775386511871149
Energy: 1.7920281875663682
Energy: 0.7748785634163482
Energy: 0.9224560381200546
Energy: 0.7748785634157404
Energy: 2.291557786222789
Energy: 0.7747922378339362
Energy: 0.9234720947530443
Energy: 0.7747922378345441
Energy: 2.022980944101716
Energy: 0.7809384377843829
Energy: 0.9315081274428603
Energy: 0.7809384377837749
Energy: 1.7719779238057034
Energy: 0.7751927292550856
Energy: 0.7755622934121571
Energy: 0.7751927292544778
Energy: 2.1508515171728715
Energy: 0.775735820247925
Energy: 0.7756113783393969
Energy: 0.775735820247925
Energy: 1.9005289965686074
Energy: 0.7756075796827656
Energy: 0.7753619073147724
Energy: 0.7756075796827656

minimum gb energy = 0.7744691838242963 eV
minimum distance =  2.24924879885174 Angstroms
sigma value = 113


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

Energy: 0.02046603102765527
Energy: 0.02163986958409033
Energy: 1.7016339111092063
Energy: 0.7594247864089281
Energy: 0.021657326253545665
Energy: 0.17753378165778477
Energy: 1.1183088709468172
Energy: 0.17753378165731737
Energy: 0.021284283575522665
Energy: 0.17488462930858828
Energy: 1.1158279306065686
Energy: 0.17488462930858828
Energy: 0.023114953792181644
Energy: 0.17527488566309474
Energy: 1.1125774797125583
Energy: 0.17527488566356214
Energy: 1.117405940779703
Energy: 0.17507089713312915
Energy: 1.116631852383211
Energy: 0.17507089713312915
Energy: 0.02106912834287362
Energy: 0.17455628520374003
Energy: 1.1158046411373324
Energy: 0.1745562852041555

minimum gb energy = 0.02046603102765527 eV
minimum distance =  2.45865497713197 Angstroms
sigma value = 1