Model name: model_name=SNAP_LiHuChen_2018_Ni__MO_913991514986_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520425826311112
cohesive_energy=2.4459192092499484
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-3.5937462771273597e-22, 1.209213975332088e-20, 4.21106493420756e-20, 7.91247748113972e-20, 1.1342417219206917e-19, 1.436835209724468e-19, 1.71835046173134e-19, 1.9926110579394597e-19, 2.26145629712466e-19, 2.5196470616937597e-19, 2.76026194858788e-19, 2.97758118722364e-19, 3.1675352489506797e-19, 3.3267595628375996e-19, 3.45919548340404e-19, 3.5689445828330396e-19, 3.65943551912136e-19, 3.73342403607948e-19, 3.7930250068642797e-19, 3.8398406081097597e-19, 3.87504042875874e-19, 3.89948964419358e-19, 3.9137970815352e-19, 3.91849145907282e-19, 3.9134125591430396e-19, 3.89694218334552e-19, 3.86686932792534e-19, 3.82059846673542e-19, 3.75506944240482e-19, 3.66662929220802e-19, 3.5508720304015196e-19, 3.4025425176257996e-19, 3.2152801126438796e-19, 2.98136232407988e-19, 2.6914805056902598e-19, 2.34228610830996e-19, 1.94070053499786e-19, 1.472091106555638e-19, 9.111866909352119e-20, 2.20866457703436e-20, -6.48726125636502e-20, -1.7566104397512599e-19, -3.1607259982561794e-19, -4.90717863814788e-19, -7.08315881184864e-19, -1.002236786868798e-18, -1.4051601776702879e-18, -1.94747774215968e-18, -2.7127894549224595e-18, -4.0771229676051596e-18, -6.6199535251929e-18, -1.169475188278986e-17, -2.4033290380653596e-17, -6.0207394640769e-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: -3.33480144358195 eV

========================================
theta = 0.0
========================================

Energy: 0.01218189933824372
Energy: 0.013380609071094741
Energy: 0.5346152834840265
Energy: 1.070354637739062
Energy: 1.0675019902412632
Energy: 0.4180469198602091
Energy: 0.013184019896564488
Energy: 0.013540938423961106
Energy: 1.071741628495729
Energy: 0.31737491837006204
Energy: 0.5350040087043539
Energy: 0.7153131164129237
Energy: 0.01345178934048718
Energy: 0.14858716840611003
Energy: 0.012877250184237693
Energy: 0.8938991268129799
Energy: 0.7527855555203377
Energy: 0.5341094281546204
Energy: 0.8985971548578066
Energy: 0.1464585554326681
Energy: 0.1485753654316749
Energy: 0.01596386505597838
Energy: 0.7168994519194682
Energy: 0.5352639176817428
Energy: 1.0745672851977754
Energy: 1.0691557534302245
Energy: 0.14747949484314063
Energy: 0.013597743836856245
Energy: 0.6960276170334392
Energy: 1.071842510982932
Energy: 0.31753356226080004
Energy: 0.534060827425634
Energy: 0.7154616710719698
Energy: 0.013070590201704346
Energy: 0.14795914708247893
Energy: 0.01267319569831347
Energy: 0.8936302629573422
Energy: 0.7534097535753164
Energy: 0.5339183810818754
Energy: 0.910038029517162
Energy: 0.14632458723717565
Energy: 0.14860181993321583

minimum gb energy = 0.01218189933824372 eV
minimum distance =  2.46812483033297 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.4796930386068692
Energy: 1.4299116299624643
Energy: 1.5065555968190156
Energy: 1.4083702559230298
Energy: 1.5720207359970602
Energy: 1.388409376798665
Energy: 1.356911016057856
Energy: 1.3327789180443281
Energy: 1.5268917874388401
Energy: 1.3298820707745318
Energy: 1.4053956386261663
Energy: 1.5143553936707728
Energy: 1.331960358281747
Energy: 1.4755565755779902
Energy: 1.5546953683608489
Energy: 1.357338488922178
Energy: 1.5117400309338
Energy: 1.403072204304037
Energy: 1.4043748543776602
Energy: 1.5149157448315325
Energy: 1.435412352484441
Energy: 1.3464557922090399
Energy: 1.480287393992591
Energy: 1.3655116661509439
Energy: 1.4917963685825089
Energy: 1.4416225171534565
Energy: 1.3775766601469737
Energy: 1.402043939892253
Energy: 1.3756018281554225
Energy: 1.4019925479760575
Energy: 1.4143275097573695
Energy: 1.350322226763574
Energy: 1.3977641723717553
Energy: 1.4031271211856167
Energy: 1.354893262119984
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Energy: 1.4883673690468564
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Energy: 1.4144062200626977
Energy: 1.3703600837279284
Energy: 1.4461110529538777
Energy: 1.5109700833847368
Energy: 1.4139879796734935
Energy: 1.4204607843618011
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Energy: 1.4649470759872885
Energy: 1.411068864390081
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Energy: 1.3682408191291513
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Energy: 1.450316698188049
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Energy: 1.3533766330249026
Energy: 1.5397371523428114
Energy: 1.39468205962179
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Energy: 1.3828186159828098
Energy: 1.3973982388786268
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Energy: 1.3449123410999773
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Energy: 1.4995127598587912
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Energy: 1.4294421704576008
Energy: 1.385988689959589
Energy: 1.4055881268140364
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Energy: 1.3256527293556772
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Energy: 1.4007064976901467
Energy: 1.4497596394192376
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Energy: 1.451710385638798
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Energy: 1.3559271982943069
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Energy: 1.4931230549548806
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Energy: 1.4051556284563385
Energy: 1.4408175195744493
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Energy: 1.3809998480791743
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Energy: 1.4465686814500323
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Energy: 1.4674543443507588
Energy: 1.456237466088828
Energy: 1.376590773985041
Energy: 1.4520291316418885
Energy: 1.4916177494728424
Energy: 1.4953462065908096
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Energy: 1.4164053757886608
Energy: 1.4105197817906068
Energy: 1.4238761742230275
Energy: 1.3939206489963192
Energy: 1.3724971133909296
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Energy: 1.4082803849169085
Energy: 1.3370097625712714
Energy: 1.4395477582423508
Energy: 1.5016389788604128
Energy: 1.3475442354316642
Energy: 1.4996885327921035
Energy: 1.4899704055107879
Energy: 1.3856612755746474
Energy: 1.52068134787312
Energy: 1.4080792974060918
Energy: 1.4360176656336718
Energy: 1.4986380974703937
Energy: 1.4795207835757294
Energy: 1.3712539649243536
Energy: 1.464200809777974
Energy: 1.3271424071259565
Energy: 1.4206744990431235
Energy: 1.386698419797911
Energy: 1.3749674890280852
Energy: 1.402174555440426
Energy: 1.5524015216148512
Energy: 1.455035944046635
Energy: 1.4330520685376198
Energy: 1.447753944662612
Energy: 1.4041445414199742
Energy: 1.4404296004193493
Energy: 1.4077864236131359
Energy: 1.3693076374975715
Energy: 1.4837425549136236
Energy: 1.3332267702712266
Energy: 1.3773156022370863
Energy: 1.468838598312472
Energy: 1.3533475638449537
Energy: 1.4798675534779875
Energy: 1.354664896229939
Energy: 1.3683411518998179
Energy: 1.503128459818115
Energy: 1.4115341990113974
Energy: 1.4285562553980853
Energy: 1.4061224908258567
Energy: 1.350974554888215

minimum gb energy = 1.3101551468006005 eV
minimum distance =  2.25877847004223 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.4283628085247864
Energy: 1.3348738788456598
Energy: 1.4458894417741557
Energy: 1.327117839208594
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Energy: 1.3386920612184396
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Energy: 1.3299050434380635
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Energy: 1.3996552523712404
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Energy: 1.3493571756891156
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Energy: 1.3108638734640052
Energy: 1.3730416815460165
Energy: 1.3855981519703757
Energy: 1.3402145931348546
Energy: 1.3121324282731885
Energy: 1.3152779609454048
Energy: 1.2843292037241885
Energy: 1.4158978619427294
Energy: 1.3550069136180733
Energy: 1.4142142008782888
Energy: 1.406903396584425
Energy: 1.3397287844594359
Energy: 1.3331017486087482
Energy: 1.3069117836589776
Energy: 1.5202962712255148
Energy: 1.3736688207137464
Energy: 1.3290522298668606
Energy: 1.402924057471133
Energy: 1.3393612534354655
Energy: 1.3076892654850807
Energy: 1.330557716216302
Energy: 1.355528022625732
Energy: 1.3588409992040755
Energy: 1.3879495878943762
Energy: 1.4249014920799479
Energy: 1.3430454396732157
Energy: 1.2987809958430716
Energy: 1.4892586374207326
Energy: 1.2963138348415102
Energy: 1.3276063109741236
Energy: 1.3217267367794334
Energy: 1.4061900720789307
Energy: 1.440233674747049
Energy: 1.376724597954445
Energy: 1.3013720721319626
Energy: 1.3170873665488672
Energy: 1.3269659990021967
Energy: 1.3210076130008983
Energy: 1.4315840551371692
Energy: 1.453880377062682
Energy: 1.3914583184786404
Energy: 1.4774110523754902
Energy: 1.3378270346197185
Energy: 1.3148891904056
Energy: 1.3589795823416606
Energy: 1.3306859620638312
Energy: 1.328889264240483
Energy: 1.3125313104222573
Energy: 1.3283684891200795
Energy: 1.3207103801905498
Energy: 1.3372753795593253
Energy: 1.55275839387342
Energy: 1.3886968484924196
Energy: 1.3106176632742486
Energy: 1.347303682256694
Energy: 1.3414687274204737
Energy: 1.443228855360929
Energy: 1.426474329701776
Energy: 1.3176545759289553
Energy: 1.370396971973223
Energy: 1.3756265259552782
Energy: 1.3219777386781433
Energy: 1.3169149407853489
Energy: 1.355242758643519
Energy: 1.3674440223887556
Energy: 1.508717769128165
Energy: 1.3189935367439587
Energy: 1.4294983537509247
Energy: 1.3455748807923023
Energy: 1.291513201203509
Energy: 1.2901651864764447
Energy: 1.368414261798895
Energy: 1.3549158554564142
Energy: 1.342023750267679
Energy: 1.3191288396769631
Energy: 1.3145215224017552
Energy: 1.3269413947419884
Energy: 1.312946447169359
Energy: 1.3450832981096952
Energy: 1.3624497895410315
Energy: 1.4525669850703322
Energy: 1.309599988110602
Energy: 1.3303369874312485
Energy: 1.3072639452831032
Energy: 1.4428292717281357
Energy: 1.4434767998610218
Energy: 1.3591027677151293
Energy: 1.3852170154638295
Energy: 1.4147527928398511
Energy: 1.3580541241956046
Energy: 1.349393156552286
Energy: 1.355980295839453
Energy: 1.3834815894525216
Energy: 1.3526380412918049
Energy: 1.371049119362509
Energy: 1.3352364531763479
Energy: 1.3075794098285405
Energy: 1.5373665934126124
Energy: 1.3312348070285016
Energy: 1.3448155969686097
Energy: 1.3458194085481998
Energy: 1.3384867738446222
Energy: 1.3659489727590153
Energy: 1.394177783291572
Energy: 1.342419790099731
Energy: 1.331790294139754
Energy: 1.3593762150418673

minimum gb energy = 1.2826825338528343 eV
minimum distance =  2.26213472514186 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.347999755772018
Energy: 1.3256216046935367
Energy: 1.3654634112927526
Energy: 1.3086862510984218
Energy: 1.3877131151561826
Energy: 1.3213776229432832
Energy: 1.3027012938197429
Energy: 1.3904735608391536
Energy: 1.4047320696753882
Energy: 1.3602322568465983
Energy: 1.4533995262651447
Energy: 1.3626084919949775
Energy: 1.4318653165489128
Energy: 1.3778394948021415
Energy: 1.3367031163751766
Energy: 1.3912586081606628
Energy: 1.3701147091678145
Energy: 1.3996528570886884
Energy: 1.3611385193489822
Energy: 1.3999041652749251
Energy: 1.334305158497699
Energy: 1.3521961869346053
Energy: 1.317896821144944
Energy: 1.4268006978027135
Energy: 1.385316339249679
Energy: 1.42774576125191
Energy: 1.3363542272142912
Energy: 1.394350878701526
Energy: 1.4077806631702
Energy: 1.399051867739592
Energy: 1.352734890200406
Energy: 1.5435060369695934
Energy: 1.4370948080089008
Energy: 1.4962499795232977
Energy: 1.3630827229814526
Energy: 1.3316805079898086
Energy: 1.3466203705305817
Energy: 1.3671919681670144
Energy: 1.321262407808687
Energy: 1.3694849054602154
Energy: 1.3213807832162805
Energy: 1.36810553983251
Energy: 1.3917709809474523
Energy: 1.348338852255799
Energy: 1.384768558727477
Energy: 1.3291211343003555
Energy: 1.394983928836819
Energy: 1.3618719125907333
Energy: 1.3203446143568518
Energy: 1.3924524786227297
Energy: 1.398564906416241
Energy: 1.4171290663019311
Energy: 1.428796078792066
Energy: 1.3857345124445983
Energy: 1.4074803876712032
Energy: 1.361390118014977
Energy: 1.386578201194743
Energy: 1.326547064267525
Energy: 1.401676527408907
Energy: 1.35239968441184
Energy: 1.3752230874601152
Energy: 1.3599749648904742
Energy: 1.3897064796200629
Energy: 1.3496266924399443
Energy: 1.3469093643827927
Energy: 1.3440320353448734
Energy: 1.4394820344806456
Energy: 1.418980392714512
Energy: 1.379417711209005
Energy: 1.385806133835981
Energy: 1.3733049358160458
Energy: 1.3726039245785826
Energy: 1.4137358037888172
Energy: 1.5279662482384186
Energy: 1.3930823774178422
Energy: 1.5612445648227442
Energy: 1.3391751339725317
Energy: 1.3321556631664733
Energy: 1.426755252070495
Energy: 1.3701439211858482
Energy: 1.3476500780119858
Energy: 1.338408520895511
Energy: 1.3406862264782053
Energy: 1.4064968229754842
Energy: 1.440806910207032
Energy: 1.4157604395650745
Energy: 1.3823587477105919
Energy: 1.3039253265675534
Energy: 1.544650672977657
Energy: 1.3602839397940731
Energy: 1.3915898967695468
Energy: 1.4037191253591335
Energy: 1.418994336949331
Energy: 1.4205558380567875
Energy: 1.4286721407783065
Energy: 1.472143090914054
Energy: 1.506220856799831
Energy: 1.4771339597587745
Energy: 1.3117618691378439
Energy: 1.3223960513753084
Energy: 1.3305155173505432
Energy: 1.4458387172935943
Energy: 1.421876845108958
Energy: 1.4132087664782809
Energy: 1.3573608607257834
Energy: 1.390223647674741
Energy: 1.385267875018344
Energy: 1.3594240105823896
Energy: 1.5129265235252323
Energy: 1.3819862332471473
Energy: 1.311380899008692
Energy: 1.3926118973936437
Energy: 1.4062506947843794
Energy: 1.4262644597001757
Energy: 1.3670247776800353
Energy: 1.5019356346815
Energy: 1.392737496760016
Energy: 1.4736665386737478
Energy: 1.3366729380513533
Energy: 1.3206162511782824
Energy: 1.4311869674891837
Energy: 1.353635368776356
Energy: 1.414233925325997
Energy: 1.3765487251870794
Energy: 1.2982265865655316
Energy: 1.350732591601477
Energy: 1.4338212304719338
Energy: 1.2927805721293608
Energy: 1.3204667219885486
Energy: 1.3114035362924497
Energy: 1.3319285427529994
Energy: 1.3822918609467127
Energy: 1.3446200440529894
Energy: 1.5130297199867053
Energy: 1.3935295719478624
Energy: 1.4429382531242354
Energy: 1.509766219202802
Energy: 1.486455488189295
Energy: 1.3607980622891802
Energy: 1.4498761957817445
Energy: 1.3958603629490578
Energy: 1.3234447164280874
Energy: 1.3897053374102242
Energy: 1.2897019634451872
Energy: 1.4194455928030587
Energy: 1.3316812301481225
Energy: 1.3240076593335544
Energy: 1.3702535787202412
Energy: 1.3308568014767288
Energy: 1.3535189516061996
Energy: 1.318725800329961
Energy: 1.4048122227568443
Energy: 1.3199113820717658
Energy: 1.365995197898898
Energy: 1.3684789694641866
Energy: 1.4088932883012686
Energy: 1.4262428728921663
Energy: 1.549322357067354
Energy: 1.3978616104109147
Energy: 1.3353362879299273
Energy: 1.3944027828187917
Energy: 1.3759273894001254
Energy: 1.4629856380025528
Energy: 1.3636532991926347
Energy: 1.4049741381988214
Energy: 1.360162331518556
Energy: 1.3219572456171933
Energy: 1.411472699337374
Energy: 1.37928610382741
Energy: 1.3220847326277434
Energy: 1.3825656241925055
Energy: 1.2747734150519836
Energy: 1.3667102423265645
Energy: 1.336835845508643
Energy: 1.3876357791538096
Energy: 1.447979205978568
Energy: 1.4337416376524283
Energy: 1.405358676926197
Energy: 1.3728202526843576
Energy: 1.4763695958612566
Energy: 1.4941034533452522
Energy: 1.4786631785962798
Energy: 1.4341930089307895
Energy: 1.2909324200992869
Energy: 1.3511676212498094
Energy: 1.293468177270672
Energy: 1.3527744927204655
Energy: 1.3551334140493743
Energy: 1.406254322644213
Energy: 1.3417922855830506
Energy: 1.4067386821251584
Energy: 1.3492530001934615
Energy: 1.3135875397117673
Energy: 1.3770632538494274
Energy: 1.3325288373092639
Energy: 1.3988845346175671
Energy: 1.3726779485545693
Energy: 1.4220911161447072
Energy: 1.4548374969166944
Energy: 1.4791696375759786
Energy: 1.3778504579508188
Energy: 1.5271751193750176
Energy: 1.4038200965048946
Energy: 1.3868751422238037
Energy: 1.3317304166379034
Energy: 1.3380491368049192
Energy: 1.4473479996799419
Energy: 1.4127807925857383
Energy: 1.402578746851286
Energy: 1.4088452589877916
Energy: 1.365350781410669
Energy: 1.3209369494521783
Energy: 1.3612715050192177
Energy: 1.2641369101291
Energy: 1.384935701374059
Energy: 1.385136221308694
Energy: 1.4245273651106267
Energy: 1.3911258054278923
Energy: 1.4352557574328515
Energy: 1.4607286593653177
Energy: 1.4207726471063493
Energy: 1.4737049206917625
Energy: 1.47871607418671
Energy: 1.480647263346777
Energy: 1.34342664727651
Energy: 1.3318836294182208
Energy: 1.3434998358871024
Energy: 1.3787704282884927
Energy: 1.4067731291599812
Energy: 1.3530736059281279
Energy: 1.3743068480788745
Energy: 1.358880073733089
Energy: 1.391905287904546
Energy: 1.348638265525926
Energy: 1.312229394309355
Energy: 1.345702165485933
Energy: 1.327908579391942
Energy: 1.386649148713568
Energy: 1.3826598994271397
Energy: 1.385573352100353
Energy: 1.3592299169334308
Energy: 1.5421771317869197
Energy: 1.3736213360219394
Energy: 1.5203658242231026
Energy: 1.339450822474934
Energy: 1.4157251959756871
Energy: 1.3853993067688661
Energy: 1.478524468250671
Energy: 1.3723717047942994
Energy: 1.378511228414463
Energy: 1.3219347092762774
Energy: 1.3796293837823472

minimum gb energy = 1.2641369101291 eV
minimum distance =  2.20108043709417 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.2426716867601648
Energy: 1.282631535218158
Energy: 1.7247291674096257
Energy: 1.550105705499761
Energy: 1.4465366775124706
Energy: 1.4449182427367218
Energy: 1.2178632365596322
Energy: 1.2163485315163056
Energy: 1.310949075452644
Energy: 1.2996720631784975
Energy: 1.3510526830871483
Energy: 1.3001291127623102
Energy: 1.331805718431614
Energy: 1.4101797392302715
Energy: 1.3375750285954706
Energy: 1.2480715738187704
Energy: 1.3052053243952473
Energy: 1.333751876057888
Energy: 1.300962440456932
Energy: 1.331051284439392
Energy: 1.3317019195978306
Energy: 1.290471338161711
Energy: 1.2486638393589389
Energy: 1.2641234829197134
Energy: 1.2797862418683983
Energy: 1.3340817827061267
Energy: 1.3074665993554013
Energy: 1.4482761264688793
Energy: 1.3306052233424914
Energy: 1.2994837771033796
Energy: 1.4010766069959029
Energy: 1.3082690508495554
Energy: 1.4188562707203773
Energy: 1.3024426068417052
Energy: 1.3307968355971935
Energy: 1.217051974508597
Energy: 1.2568874450733838
Energy: 1.3066812064952953
Energy: 1.3116919361161703
Energy: 1.3596893120399092
Energy: 1.3300296400676577
Energy: 1.3296590817926448
Energy: 1.3373431469264427
Energy: 1.323453085867497
Energy: 1.298186005267243
Energy: 1.637902439642682
Energy: 1.2187847673451067
Energy: 1.2196789395488477
Energy: 1.408883832413598
Energy: 1.220610975338556
Energy: 1.3546365982035449
Energy: 1.6728691484489493
Energy: 1.3123140311408437
Energy: 1.4494142323671069
Energy: 1.3058496512301718
Energy: 1.3305032108772707
Energy: 1.2213187057064825
Energy: 1.3543007263419093
Energy: 1.681628148390309
Energy: 1.3462597744663012
Energy: 1.2616956667041677
Energy: 1.3193550494922357
Energy: 1.330344659406682
Energy: 1.336224690998726
Energy: 1.317492450490111
Energy: 1.303748347303965
Energy: 1.333526891579609
Energy: 1.3069456862788464
Energy: 1.333843339465531
Energy: 1.3317648213509503
Energy: 1.3383228856877325
Energy: 1.2515535242760152
Energy: 1.3003988608479389
Energy: 1.2516883604395839
Energy: 1.295975547616536
Energy: 1.3592954052970299
Energy: 1.450557211015802
Energy: 1.3398839802608546
Energy: 1.2999339821099265
Energy: 1.2482817312533134
Energy: 1.2780770046941898
Energy: 1.3614508780625387
Energy: 1.3001241510005028
Energy: 1.3546892818490315
Energy: 1.2177598924636865
Energy: 1.307117949686964
Energy: 1.3965480551456915
Energy: 1.3078797252568812
Energy: 1.3957015387702534
Energy: 1.3075706316334847
Energy: 1.330860082218368
Energy: 1.338489022315789
Energy: 1.2478516930049057
Energy: 1.3054214256221677
Energy: 1.6212980575519085
Energy: 1.2197918764728666
Energy: 1.2184350163579467
Energy: 1.4089751546053721
Energy: 1.216211893407865
Energy: 1.3109019428032906
Energy: 1.299308971068
Energy: 1.61773774398933
Energy: 1.2181461592952343
Energy: 1.2171561895918508
Energy: 1.5539989134637973
Energy: 1.2428558151401707
Energy: 1.3580994736284506
Energy: 1.6799990552836321
Energy: 1.3058415300323531
Energy: 1.4076760113405289
Energy: 1.4439919390392737
Energy: 1.2174090167784177
Energy: 1.3292857717615405
Energy: 1.3110389796045736
Energy: 1.300172145301072
Energy: 1.3511477603694035
Energy: 1.299884297703657
Energy: 1.3314206449801733
Energy: 1.4097602617468232
Energy: 1.3374524768797855
Energy: 1.2486503139538152
Energy: 1.30516227809499
Energy: 1.3337846097385562
Energy: 1.3002087178596857
Energy: 1.330563571887202
Energy: 1.3320577232941728
Energy: 1.2903236904909299
Energy: 1.248321475331822
Energy: 1.261856529149537
Energy: 1.2787920425484078
Energy: 1.3341053665487654
Energy: 1.3031459948402437
Energy: 1.4474576663814747
Energy: 1.330316114506368
Energy: 1.2984702788787632
Energy: 1.4007418634464468
Energy: 1.3075697592558053
Energy: 1.4073457433976795
Energy: 1.3021541325329715
Energy: 1.3307396488345151
Energy: 1.217144294765007
Energy: 1.2496691803484619
Energy: 1.3063358549069297
Energy: 1.311619865685267
Energy: 1.3586481349995798
Energy: 1.217396303060598
Energy: 1.3349711788700642
Energy: 1.3370098021157821
Energy: 1.324744530140392
Energy: 1.298332736449149
Energy: 1.6383165352484423
Energy: 1.2189816777214415
Energy: 1.2199489200883558
Energy: 1.4098363507809093
Energy: 1.2184234617009375
Energy: 1.354269398531411
Energy: 1.6726323963982028
Energy: 1.3137541234790802
Energy: 1.449376286093767
Energy: 1.3072049123801586
Energy: 1.329680979631369
Energy: 1.2225694870651518
Energy: 1.3541545327118945
Energy: 1.6814669725576106
Energy: 1.2531610548759313
Energy: 1.2980107881399126
Energy: 1.3432958290001331
Energy: 1.332096330298913
Energy: 1.336695315116748
Energy: 1.2615701533410097
Energy: 1.304169413399391
Energy: 1.3333177249267476
Energy: 1.3063745859369806
Energy: 1.333751706047264
Energy: 1.3314757118590672
Energy: 1.337891966361401
Energy: 1.2516649828443427
Energy: 1.3004633844347357
Energy: 1.2521369955601764
Energy: 1.29606479556622
Energy: 1.3053652176535098
Energy: 1.450800418536932
Energy: 1.3402438248351611
Energy: 1.3021399528869855
Energy: 1.2484500439532715
Energy: 1.2507817115898643
Energy: 1.3641099768182006
Energy: 1.3006331188319926
Energy: 1.356227949997139
Energy: 1.217869214973015
Energy: 1.2984753337197923
Energy: 1.3971071830301465
Energy: 1.3084326391093468
Energy: 1.3960030852383547
Energy: 1.304472896531687
Energy: 1.3309184920450476
Energy: 1.3377095458835897
Energy: 1.2481076269406597
Energy: 1.3053803239054071
Energy: 1.6217926635616033
Energy: 1.219839149310273
Energy: 1.218686782284072
Energy: 1.4091852299659389
Energy: 1.2166000670556365
Energy: 1.3108664582467127
Energy: 1.2994532202955578
Energy: 1.5761945649972833
Energy: 1.2179021689658043
Energy: 1.2171614443862235
Energy: 1.5536400866142612

minimum gb energy = 1.216211893407865 eV
minimum distance =  2.26378142127606 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.6012732499242401
Energy: 1.5979424199174401
Energy: 1.3599964364201493
Energy: 1.345191475359495
Energy: 1.298245046386466
Energy: 1.30048439328196
Energy: 1.5580082123654062
Energy: 1.330457506861163
Energy: 1.2197578716569002
Energy: 1.3493576578368056
Energy: 1.5665227002813515
Energy: 1.5395143002655707
Energy: 1.4534363767206124
Energy: 1.3550649054519537
Energy: 1.2984570101767308
Energy: 1.308096981455964
Energy: 1.3838917534957804
Energy: 1.513873232849332
Energy: 1.5313785833643914
Energy: 1.4948430837519318
Energy: 1.4678711885706588
Energy: 1.6147365303570267
Energy: 1.5715160275372484
Energy: 1.333428395940303
Energy: 1.302480364244556
Energy: 1.1528302374795307
Energy: 1.298011277823724
Energy: 1.3272647895988856
Energy: 1.2958187115865183
Energy: 1.2209390206767587
Energy: 1.337952221966894
Energy: 1.2480330853791812
Energy: 1.22182688710301
Energy: 1.339072417727228
Energy: 1.3379047649188363
Energy: 1.2677123970973332
Energy: 1.2335735956983607
Energy: 1.2863834581359594
Energy: 1.258898729592857
Energy: 1.2547903659860837
Energy: 1.3263767314405728
Energy: 1.3237494456027215
Energy: 1.4395820793102418
Energy: 1.318161356199491
Energy: 1.3000013779735655
Energy: 1.2207765079551456
Energy: 1.266404994771917
Energy: 1.2681170414263352
Energy: 1.3241746505760557
Energy: 1.2983087717801687
Energy: 1.2212590428466608
Energy: 1.3843634112911245
Energy: 1.4718633057818378
Energy: 1.2196237001088037
Energy: 1.3013553312106334
Energy: 1.3074538079711444
Energy: 1.3930552821345088
Energy: 1.2184850308489796
Energy: 1.2418861743040486
Energy: 1.521430887502484
Energy: 1.3152615624786224
Energy: 1.3109861628136388
Energy: 1.3349926858609162
Energy: 1.6163382270930975
Energy: 1.3735809334782616
Energy: 1.5020755989721473
Energy: 1.3291064273580098
Energy: 1.2948223177349432
Energy: 1.3216385049089432
Energy: 1.4718332128236113
Energy: 1.3161719466492185
Energy: 1.3894491823222743
Energy: 1.3609297927048638
Energy: 1.2713935656997102
Energy: 1.4285539252729702
Energy: 1.4139797768817988
Energy: 1.350481219892201
Energy: 1.2992732233100706
Energy: 1.2483040704618702
Energy: 1.3305146866402815
Energy: 1.6578221650163611
Energy: 1.558542537501611
Energy: 1.5594864357754488
Energy: 1.495146993777611
Energy: 1.5536990513637474
Energy: 1.477277556743936
Energy: 1.3598763626283217
Energy: 1.3643415367470022
Energy: 1.4283708418138918
Energy: 1.2978485473531989
Energy: 1.5561891308458784
Energy: 1.557919743617865
Energy: 1.2197270193855978
Energy: 1.4637299475903887
Energy: 1.240129985658445
Energy: 1.3356091882698642
Energy: 1.4219871517082714
Energy: 1.3467176745922402
Energy: 1.299243850791899
Energy: 1.2350149270829038
Energy: 1.3541587145489542
Energy: 1.3762772911728756
Energy: 1.6240256560088324
Energy: 1.4591700250818025
Energy: 1.4921750056955132
Energy: 1.4852424091191694
Energy: 1.2212990838299402
Energy: 1.3769094500249692
Energy: 1.3894132172653597
Energy: 1.144426402348718
Energy: 1.3412355798749278
Energy: 1.313395401767433
Energy: 1.2971709780909269
Energy: 1.415099773275436
Energy: 1.3258854766261583
Energy: 1.241926528059573
Energy: 1.1445271241784851
Energy: 1.3135000434462483
Energy: 1.3252287113792263
Energy: 1.2678683577544867
Energy: 1.2203778979608368
Energy: 1.2212968343206925
Energy: 1.2512773796492362
Energy: 1.2468544264723296
Energy: 1.3376622491765238
Energy: 1.355568614670758
Energy: 1.2666264914996894
Energy: 1.264259034332656
Energy: 1.3390171876441619
Energy: 1.351974388311191
Energy: 1.2833361377602666
Energy: 1.2668392024836497
Energy: 1.311816083460511
Energy: 1.4723552285716497
Energy: 1.2199883743637832
Energy: 1.3847276376219657
Energy: 1.2888879447085555
Energy: 1.2198075340754648
Energy: 1.3000280202798737
Energy: 1.311184199134834
Energy: 1.299279239180233
Energy: 1.3016022164859975
Energy: 1.3576445774930253
Energy: 1.4552505560694957
Energy: 1.2314776100231095
Energy: 1.2811397324742486
Energy: 1.3488359043953186
Energy: 1.458745860914246
Energy: 1.2205494965984505
Energy: 1.4993904273428504
Energy: 1.3220329996861522
Energy: 1.2372268866639031
Energy: 1.3270073678435126
Energy: 1.474054542557547
Energy: 1.4411976079429876
Energy: 1.4296213339804849
Energy: 1.636576972613876
Energy: 1.3741635993126842
Energy: 1.3307038381508953
Energy: 1.3689206631720077
Energy: 1.3513146370314535
Energy: 1.2976311088185994
Energy: 1.2449738117362472
Energy: 1.2632052964935316
Energy: 1.1759374567917087
Energy: 1.5548580380597092
Energy: 1.557710843218904
Energy: 1.4918493381151525
Energy: 1.5574386780878933
Energy: 1.4774260138035487
Energy: 1.5007266260149146
Energy: 1.2499994163451842
Energy: 1.3311278101468433
Energy: 1.3690041994918865
Energy: 1.3465165255455098

minimum gb energy = 1.144426402348718 eV
minimum distance =  2.23760188297226 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.6057393230409702
Energy: 1.7384386285171847
Energy: 1.7134527717387193
Energy: 1.7521738157883795
Energy: 1.6274461722106013
Energy: 1.5745073292261274
Energy: 1.6664842358670333
Energy: 1.6298656188090639
Energy: 1.5449455747361245
Energy: 1.6160189514105834
Energy: 1.4225901015713616
Energy: 1.4522081742756305
Energy: 1.5273783828377987
Energy: 1.500773036822054
Energy: 1.5975466611839189
Energy: 1.5440281258215582
Energy: 1.5400417681880492
Energy: 1.6813621258387348
Energy: 1.660299361146271
Energy: 1.4958487759991805
Energy: 1.6672637704500903
Energy: 1.5133963174104257
Energy: 1.4459251895057783
Energy: 1.513496246042098
Energy: 1.5810206605828236
Energy: 1.6290410571094913
Energy: 1.5934690854798996
Energy: 1.5425563197275036
Energy: 1.4045334279967707
Energy: 1.5660428114862688
Energy: 1.555070000296737
Energy: 1.4663626975457331
Energy: 1.4758389603590532
Energy: 1.4540712895246217
Energy: 1.6021978629547007
Energy: 1.4344989383946578
Energy: 1.4873441555540834
Energy: 1.5798453088390991
Energy: 1.4739236557042792
Energy: 1.4611229554894163
Energy: 1.503336958476579
Energy: 1.4699204174246545
Energy: 1.4320909616811786
Energy: 1.4874893669179414
Energy: 1.4491684524363273
Energy: 1.410193499864504
Energy: 1.4659469617740155
Energy: 1.5245175888687839
Energy: 1.4072083189909097
Energy: 1.3484689359763264
Energy: 1.394634108977078
Energy: 1.3308617883808918
Energy: 1.451714062679113
Energy: 1.4152473363233962
Energy: 1.36608994573682
Energy: 1.3482825253647768
Energy: 1.3930675339935248
Energy: 1.3817973556665772
Energy: 1.4760130772827766
Energy: 1.3225490676578828
Energy: 1.5011928788092008
Energy: 1.536764685018709
Energy: 1.3542567057677284
Energy: 1.4315670453903637
Energy: 1.3726937398644787
Energy: 1.51015410451198
Energy: 1.3232155749505279
Energy: 1.3882030885224164
Energy: 1.4027145710708715
Energy: 1.4063762805952682
Energy: 1.4412452430275102
Energy: 1.355245960717504
Energy: 1.4883247036987208
Energy: 1.3330959389937487
Energy: 1.3074752310932594
Energy: 1.5244327217281914
Energy: 1.3972248136973184
Energy: 1.2749779456873873
Energy: 1.3848641583652672
Energy: 1.4665017692147069
Energy: 1.424566140560167
Energy: 1.3445731681503592
Energy: 1.4635272883735002
Energy: 1.3864407749052476
Energy: 1.512260441525401
Energy: 1.3090950990266859
Energy: 1.4249397347013717
Energy: 1.4465712111581053
Energy: 1.4474270678987469
Energy: 1.3796636699559495
Energy: 1.2693397379840747
Energy: 1.4497177228401925
Energy: 1.374720410204056
Energy: 1.4301366522221248
Energy: 1.3422723267387937
Energy: 1.4148531220795337
Energy: 1.4946199855529847
Energy: 1.4437267357344632
Energy: 1.4043343720011998
Energy: 1.5046670471071129
Energy: 1.5761139342920432
Energy: 1.3673803056567948
Energy: 1.4471699280681707
Energy: 1.4842626199853144
Energy: 1.4800680206834207
Energy: 1.4330562811080243
Energy: 1.491022126024643
Energy: 1.5093578934164575
Energy: 1.4234528399956727
Energy: 1.4558162333722693
Energy: 1.455722583010733
Energy: 1.5059642959904933
Energy: 1.4284637561293583
Energy: 1.578505628419738
Energy: 1.4629342462653085
Energy: 1.5638443107701854
Energy: 1.5540569272216134
Energy: 1.5718852610930127
Energy: 1.498740697237233
Energy: 1.425652052722628
Energy: 1.5705906939951433
Energy: 1.4877241091922162
Energy: 1.5897670314457502
Energy: 1.5526583594883878
Energy: 1.521199637685928
Energy: 1.4822220419468384
Energy: 1.5171688046481038
Energy: 1.5621736870144933
Energy: 1.5135999763901518
Energy: 1.478362920542247
Energy: 1.4914385813863618
Energy: 1.4541738505826474
Energy: 1.559467764694698
Energy: 1.5631531874978122
Energy: 1.6782220375459314
Energy: 1.605649001024878
Energy: 1.696529925418875
Energy: 1.6382130972238385
Energy: 1.610554567147855
Energy: 1.6280635856460595
Energy: 1.6142364031257448
Energy: 1.4433979573680187
Energy: 1.456755944998004
Energy: 1.5104782737142377
Energy: 1.6565918535208548
Energy: 1.508652176163831
Energy: 1.5657429125970947
Energy: 1.6190927854077957
Energy: 1.556829475235466
Energy: 1.6007465596965662
Energy: 1.5497939789873971
Energy: 1.5595387419661513
Energy: 1.5909754636552051
Energy: 1.4915279763217353
Energy: 1.5576808443341847
Energy: 1.504067653509856
Energy: 1.6040877904168356
Energy: 1.7198129567880567
Energy: 1.6592288180003296
Energy: 1.6030537280681136
Energy: 1.5037261883128041
Energy: 1.4781774877261593
Energy: 1.5555617452392927
Energy: 1.5638247835089008
Energy: 1.4792149063436277
Energy: 1.507458009970772
Energy: 1.4196445117446854
Energy: 1.5601453734515156
Energy: 1.4380554029604307
Energy: 1.5648910576732835
Energy: 1.5382522836848262
Energy: 1.6833184771790848
Energy: 1.66557018433236
Energy: 1.4818437721421223
Energy: 1.5872024804984928
Energy: 1.4661055662859164
Energy: 1.5175172738987837
Energy: 1.4996344141959348
Energy: 1.5594243580612137
Energy: 1.641970465279377
Energy: 1.6025151400864674
Energy: 1.5803802769111972
Energy: 1.5551968047091937
Energy: 1.5624632445266438
Energy: 1.5954478141843955
Energy: 1.4031102025747122
Energy: 1.4771586412716784
Energy: 1.4623431351496021
Energy: 1.6003257845703565
Energy: 1.4327441018702098
Energy: 1.540323727611267
Energy: 1.5885760412445469
Energy: 1.5473175866428999
Energy: 1.4288753467325468
Energy: 1.5128505354165205
Energy: 1.451324952916334
Energy: 1.431993798780294
Energy: 1.4871420868365295
Energy: 1.4458849628063926
Energy: 1.3940630452193858
Energy: 1.4567061454450627
Energy: 1.5264202907879092
Energy: 1.4435683310686047
Energy: 1.4546412626857665
Energy: 1.3535837309328667
Energy: 1.3433458776535487
Energy: 1.4514982681890605
Energy: 1.4862135083740213
Energy: 1.2848899514812377
Energy: 1.3496516392890805
Energy: 1.3175785991382376
Energy: 1.389197243477334
Energy: 1.4419460362659107
Energy: 1.2777214588160262
Energy: 1.4849130329178668
Energy: 1.5469872481138234
Energy: 1.4459525276816618
Energy: 1.448025603274332
Energy: 1.3641915643005404
Energy: 1.3858924539808857
Energy: 1.309642366870613
Energy: 1.3011148358329991
Energy: 1.5909534037924093
Energy: 1.3548024990127125
Energy: 1.4367461152493866
Energy: 1.3499709605567412
Energy: 1.3404572380060782
Energy: 1.287880288485839
Energy: 1.343921754029564
Energy: 1.3819215147115609
Energy: 1.3951237569103658
Energy: 1.3329403007503295
Energy: 1.3851503968835297
Energy: 1.487094666199249
Energy: 1.2520425567397446
Energy: 1.4794923224273244
Energy: 1.4947438372246078
Energy: 1.3814006931483207
Energy: 1.429519741863442
Energy: 1.3089012193593785
Energy: 1.4255821354521827
Energy: 1.46826565460103
Energy: 1.4567431124492154
Energy: 1.2944772086332572
Energy: 1.3120600137518255
Energy: 1.4468625311079153
Energy: 1.3289815309652024
Energy: 1.411851117142391
Energy: 1.3651438271322125
Energy: 1.415086244569497
Energy: 1.5041211203279017
Energy: 1.4518289487104041
Energy: 1.373411376552772
Energy: 1.3799547412891147
Energy: 1.5081994259833917
Energy: 1.2959456293263178
Energy: 1.3737098563088113
Energy: 1.4703280734787196
Energy: 1.3972022892310727
Energy: 1.2926241576986097
Energy: 1.5450403328735856
Energy: 1.4963531474874365
Energy: 1.411066387725915
Energy: 1.4318982526462103
Energy: 1.4371252061721698
Energy: 1.5261627628150147
Energy: 1.420266188802754
Energy: 1.4470495700583648
Energy: 1.4625215584882436
Energy: 1.6004517173051234
Energy: 1.54518308145594
Energy: 1.498092908068025
Energy: 1.5024867614238633
Energy: 1.4280281330455815
Energy: 1.5751859674640996
Energy: 1.5426209363624077
Energy: 1.5387924330180764
Energy: 1.6004251099321232
Energy: 1.5022744677720208
Energy: 1.5446649948235687
Energy: 1.4936636428202377
Energy: 1.6412142876090876
Energy: 1.5447222262023355
Energy: 1.4730030363764572
Energy: 1.452801419530514
Energy: 1.5182005241393943
Energy: 1.5734331424926598
Energy: 1.5813873072106528
Energy: 1.5065752665168979
Energy: 1.6193871598474792
Energy: 1.7144106894953604
Energy: 1.6402093157141764
Energy: 1.5532267097895713
Energy: 1.6827513247158938
Energy: 1.6027361406191034
Energy: 1.563030132744621
Energy: 1.4556738026224327
Energy: 1.5134103985821972
Energy: 1.5509961792862788
Energy: 1.5692911059327337
Energy: 1.535643402931837
Energy: 1.649898627585977
Energy: 1.4190893562297517
Energy: 1.5978858766856252
Energy: 1.4781576775273033
Energy: 1.6622511109978384
Energy: 1.5785723602811952
Energy: 1.4868656706855437
Energy: 1.573304509797319
Energy: 1.395925215424104
Energy: 1.6107637657883387
Energy: 1.6221744381805232
Energy: 1.6297956277683165
Energy: 1.5711617320209523
Energy: 1.658180141124093

minimum gb energy = 1.2520425567397446 eV
minimum distance =  2.2014723885485 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.449610044593516
Energy: 1.2916916852056022
Energy: 1.2911198964995383
Energy: 1.2995941121921575
Energy: 1.3029514244916043
Energy: 1.2913739150404806
Energy: 1.292863313168442
Energy: 1.3527894540910377
Energy: 1.6389827013781422
Energy: 1.3071620242360256
Energy: 1.3017945756100635
Energy: 1.3063991996217426
Energy: 1.3053638332833426
Energy: 1.6209699378080293
Energy: 1.323245262765621
Energy: 1.6351979063198496
Energy: 1.3116538356382228
Energy: 1.294805699545991
Energy: 1.3032418989353924
Energy: 1.3089601838281175
Energy: 1.2935634049798181
Energy: 1.3254501632162787
Energy: 1.6360577297185435
Energy: 1.3038676886930025
Energy: 1.2942677510178555
Energy: 1.2942808944548205
Energy: 1.3099055198886804
Energy: 1.2987496111031014
Energy: 1.350370790936702
Energy: 1.6213067653622375
Energy: 1.326145621517291
Energy: 1.6531378168328177
Energy: 1.3708554320823836
Energy: 1.3240780226316886
Energy: 1.622556553092821
Energy: 1.324610808746239
Energy: 1.640144121224807
Energy: 1.2922190041736537
Energy: 1.3002292887818916
Energy: 1.3037306637629478
Energy: 1.2922044726094102
Energy: 1.2938622397215611
Energy: 1.3241153669991845
Energy: 1.6356693884586893
Energy: 1.3134863409882909
Energy: 1.3029434670442808
Energy: 1.3044558623150535
Energy: 1.3102973318582738
Energy: 1.6383311803308707
Energy: 1.323138396398973
Energy: 1.6337580122889543
Energy: 1.3124994603210631
Energy: 1.3023706638902763
Energy: 1.3035113686670126
Energy: 1.3093698821963684
Energy: 1.636679055565038
Energy: 1.3267733219423044
Energy: 1.6402893203444346
Energy: 1.2934130702960094
Energy: 1.3017829030942496
Energy: 1.3059956922329274
Energy: 1.2936317043952692
Energy: 1.294424290260424
Energy: 1.349856300944111
Energy: 1.6232461754440612
Energy: 1.3259750072766499
Energy: 1.6527675764201792
Energy: 1.6509635316937779
Energy: 1.324483581150192
Energy: 1.6250766640264287
Energy: 1.3259893853210873
Energy: 1.6388079990531754
Energy: 1.3030598797961008
Energy: 1.3034423152327042
Energy: 1.3068562840662354
Energy: 1.3323339071418883
Energy: 1.2962085228308011
Energy: 1.3230479082805093
Energy: 1.6337154838933667
Energy: 1.3122405881269568
Energy: 1.301790152865848
Energy: 1.3031190569334814
Energy: 1.309153340679332
Energy: 1.6361777844704894
Energy: 1.3248196012388895
Energy: 1.6360456907510847
Energy: 1.3129792624106058
Energy: 1.3041916849658837
Energy: 1.3043250898911836
Energy: 1.3106556967430358
Energy: 1.6406021708405218
Energy: 1.3240206215315404
Energy: 1.64117295822855
Energy: 1.291529351490202
Energy: 1.2999626454629094
Energy: 1.3031460929867507
Energy: 1.2917884185537998
Energy: 1.2924820727485404
Energy: 1.351144272053416
Energy: 1.6183348061615812
Energy: 1.3256328741034609
Energy: 1.37016580163125
Energy: 1.301797644716191
Energy: 1.305681399486449
Energy: 1.6223600192510852
Energy: 1.3243334250073089
Energy: 1.6350822335040167
Energy: 1.3122820753394993
Energy: 1.3072873332072041
Energy: 1.2948881680565834
Energy: 1.309509670695178
Energy: 1.297479466923228
Energy: 1.3237646129374776
Energy: 1.634316035429253
Energy: 1.3120720539724506
Energy: 1.2947457779332203
Energy: 1.2949527742344031
Energy: 1.3090916384860811
Energy: 1.2974142052083482
Energy: 1.3517585860241992
Energy: 1.5785577334466727
Energy: 1.3067526054820704
Energy: 1.3008051868226727
Energy: 1.3031838066122912
Energy: 1.3054028023858482
Energy: 1.621648667252504
Energy: 1.3243817027354476
Energy: 1.633209672363205
Energy: 1.2913405981340078
Energy: 1.2995203007885006
Energy: 1.3030496082982534
Energy: 1.2915241241119906
Energy: 1.2925542128569747
Energy: 1.3255361405030917
Energy: 1.6368253271331084
Energy: 1.314273729140876
Energy: 1.3015821449664957
Energy: 1.3059296872218844
Energy: 1.3050791214269086
Energy: 1.6215198533581412

minimum gb energy = 1.2911198964995383 eV
minimum distance =  2.21813980255667 Angstroms
sigma value = 23