Model name: model_name=MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_001
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=3.521391749382019
cohesive_energy=4.450350015081894
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=[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: 0.02215512848386332
Energy: 0.022954019423970448
Energy: 1.8051143425854042
Energy: 1.3689329813867006
Energy: 1.39271837871612
Energy: 0.5004065791659834
Energy: 0.022774151888181285
Energy: 0.022863097627078242
Energy: 1.3900503970415943
Energy: 0.40138170766353926
Energy: 0.8713880567849828
Energy: 0.9743912394894199
Energy: 0.023296765153845118
Energy: 0.15439857695724085
Energy: 0.022600857541106533
Energy: 1.3904720074844878
Energy: 1.2162007961783012
Energy: 1.2183754037755208
Energy: 0.8723230001921664
Energy: 0.15293578604088573
Energy: 0.15458629294404286
Energy: 0.0255413781956081
Energy: 0.873084396066549
Energy: 1.2161131901625715
Energy: 1.3690221186698353
Energy: 1.4014865339375409
Energy: 0.15348752548457173
Energy: 0.02315301386636917
Energy: 1.6956957060710587
Energy: 1.3947850532235775
Energy: 0.40132442721793204
Energy: 0.8713425480637882
Energy: 0.9742311911450253
Energy: 0.022922906519584417
Energy: 0.15252334177878918
Energy: 0.022585530664557908
Energy: 1.2778948434749005
Energy: 1.2152092074313614
Energy: 1.2178159661154293
Energy: 1.1013416654366903
Energy: 0.15280527252744613
Energy: 0.15456100952988358

minimum gb energy = 0.02215512848386332 eV
minimum distance =  2.4682208993655 Angstroms
sigma value = 5


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

Energy: 1.7729755269818053
Energy: 1.6865296300434611
Energy: 1.8841374381841638
Energy: 2.067200842646824
Energy: 1.9806191129958493
Energy: 1.923057613326337
Energy: 1.7746507117281898
Energy: 1.6037555480635852
Energy: 1.8941031375539021
Energy: 1.6620243028816157
Energy: 2.0382013699178065
Energy: 1.9322507019256465
Energy: 1.7031599930680443
Energy: 1.9160807968246327
Energy: 1.9118112123682298
Energy: 1.8942719053601056
Energy: 1.9155219010808266
Energy: 1.9353662945027001
Energy: 1.8191037786938784
Energy: 1.914522308222016
Energy: 1.8050832264246763
Energy: 1.6699835192143853
Energy: 1.9663681091106058
Energy: 1.720876596107169
Energy: 1.8820930760236207
Energy: 1.9028902799431753
Energy: 1.6494739640796843
Energy: 1.8594953394512215
Energy: 1.8845233142718727
Energy: 1.7740954142207235
Energy: 1.76949116423935
Energy: 1.6504279590260422
Energy: 1.8114731042524925
Energy: 1.9190234579784442
Energy: 1.9150320856414402
Energy: 1.7436926467724123
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Energy: 1.6408332501767846
Energy: 1.9479016936559137
Energy: 1.7167274529365888
Energy: 1.8779986616473074
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Energy: 1.7817386342030235
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Energy: 1.7618746838266852
Energy: 1.8964705261939028
Energy: 1.858602997032399
Energy: 1.8854138365356738
Energy: 1.8462396623577555
Energy: 1.7923383392078673
Energy: 1.8007515777987124
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Energy: 1.9612368172512118
Energy: 1.7365724141963732
Energy: 1.8801716010497753
Energy: 1.78336141937335
Energy: 1.7932244827738946
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Energy: 1.8939718059722643
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Energy: 1.8519840826758494
Energy: 1.848111856201855
Energy: 1.7614406104208873
Energy: 1.9273151548391292
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Energy: 1.8954297931569326
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Energy: 1.837360564937433
Energy: 1.7577975879140306
Energy: 1.850389216411014
Energy: 1.822998077550655
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Energy: 1.783553130362649
Energy: 1.7210010629495205
Energy: 1.9068174920673178
Energy: 1.9223141923487115
Energy: 1.8338021765066714
Energy: 1.7756766935956838
Energy: 1.661242326730762
Energy: 1.6433861466149962
Energy: 1.893546357964624
Energy: 1.9692146488806033
Energy: 1.6440033699796683
Energy: 1.8876045272604336
Energy: 1.8500203684997383
Energy: 1.7335658917327914
Energy: 1.8090454292078737
Energy: 1.7582406684699838
Energy: 1.7317550917512405
Energy: 1.8378981320350882
Energy: 1.9079330673941983
Energy: 1.6872199749649452
Energy: 1.8736713564630751
Energy: 1.6743316609104748
Energy: 1.7175472097834084
Energy: 1.905942157000713
Energy: 1.677449971237886
Energy: 1.7315571192067507
Energy: 1.8413594706133172
Energy: 1.8133935811985877
Energy: 1.8531064486178137
Energy: 1.8229792001681129
Energy: 1.8947373387695223
Energy: 1.9174670434485062
Energy: 1.748866741762597
Energy: 1.6613925009963368
Energy: 1.7733713922875192
Energy: 1.7741390007722713
Energy: 2.0298050218879093
Energy: 1.8446207563119859
Energy: 1.6560794600523985
Energy: 1.9575835583758314
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Energy: 1.7138370794969364
Energy: 1.866936473927861
Energy: 1.9119552468569276
Energy: 1.8828288043862453
Energy: 1.7652996966811785
Energy: 1.7220807186363196

minimum gb energy = 1.6037555480635852 eV
minimum distance =  2.21873346966322 Angstroms
sigma value = 401


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

Energy: 1.7045937030596152
Energy: 1.6407143420958048
Energy: 1.877015938851588
Energy: 1.9648961275961812
Energy: 2.047478479675284
Energy: 1.6886671009153484
Energy: 1.7238867337421375
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Energy: 2.008903005603202
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Energy: 1.7587848836539477
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Energy: 1.6581297638800099
Energy: 1.8769515663551741
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Energy: 1.8466993405516754
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Energy: 1.6957131187422403
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Energy: 1.7266588114885537
Energy: 1.7067629880810764
Energy: 1.9406579611323704
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Energy: 1.829499300259321
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Energy: 1.810320975922171
Energy: 1.7036364144615497
Energy: 1.7191826179926628
Energy: 1.7969159804162542
Energy: 1.7469750875840044
Energy: 1.907969489114014
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Energy: 1.6647450474838559
Energy: 1.7387315032652675
Energy: 1.679125717003569
Energy: 1.7325739221839258
Energy: 1.9709560261333054
Energy: 1.8444470433664764
Energy: 1.8099395328264538
Energy: 1.6705944763996867
Energy: 1.8339116482646034
Energy: 1.802250929550466
Energy: 1.6821280747078504
Energy: 1.6421953164717888
Energy: 1.8196414014520195
Energy: 1.9528770230382466
Energy: 1.8116954802365162
Energy: 1.8007295031320139
Energy: 1.8542702498927934
Energy: 1.8968712799514749
Energy: 1.8945161891038604
Energy: 1.9798805899298384
Energy: 1.704600376468855
Energy: 1.8228304297444553
Energy: 1.7073283386019382
Energy: 1.851322627679835
Energy: 1.7911715647994482
Energy: 1.8440442855839148
Energy: 1.7131291917496922
Energy: 1.6947262020379898
Energy: 1.7366006074245992
Energy: 1.8303633534696415
Energy: 2.107490187361573
Energy: 1.876193199420103
Energy: 1.6796987277222182
Energy: 1.7366070198985624
Energy: 1.6673842650027242
Energy: 1.6535099740403079
Energy: 1.9362956008682959
Energy: 1.7248251234224947
Energy: 1.7167624110703334
Energy: 1.7314618108787458
Energy: 1.6702577527555365
Energy: 1.6721176566384248
Energy: 1.6633992628549898
Energy: 1.8742154497699202
Energy: 1.6482482523097626
Energy: 1.9914279689740182
Energy: 1.8495473001325438
Energy: 1.6721418125850847
Energy: 1.6891548610812928
Energy: 1.6384175895401665
Energy: 1.7223236378358213
Energy: 1.6316531446566835
Energy: 1.9902810812600047
Energy: 1.7367867001563597
Energy: 1.735949937655853
Energy: 1.8399480303853257
Energy: 1.9581779258587302
Energy: 1.7909268642292293
Energy: 1.8867580508502626
Energy: 1.7710723899575092
Energy: 1.8744750526621263
Energy: 1.7506126815414347
Energy: 1.728738820571263
Energy: 1.6520302940829317
Energy: 1.6970223023159763
Energy: 1.681316568554216
Energy: 1.7280619395787915
Energy: 1.662569144331467
Energy: 1.9347609512093455
Energy: 1.8848290925931015
Energy: 1.7152034975036274
Energy: 1.7286457294798991
Energy: 1.723323375813981
Energy: 1.7819552985712779
Energy: 1.956460756497122
Energy: 1.9796763408658045
Energy: 1.753804203767205
Energy: 1.7443963564574565
Energy: 1.6900400934976567
Energy: 1.8482684915358392
Energy: 1.6714812771873002
Energy: 1.6455335361573669
Energy: 1.9582254718021925
Energy: 1.9476292809750169
Energy: 1.7676002346093278
Energy: 1.8536824648398917
Energy: 1.823809332235031
Energy: 1.7233064527763728
Energy: 1.8978147515442354
Energy: 1.9518373964133193
Energy: 1.7049466713725756
Energy: 1.7965549778778824
Energy: 1.6995708902281725
Energy: 1.6842113306961044
Energy: 1.7936884151163273
Energy: 1.8329656224109738
Energy: 1.7096207264856416
Energy: 1.6630313737399836
Energy: 1.7841714883622322
Energy: 1.9283613842313483
Energy: 1.7866186450117534
Energy: 1.8953723141777636
Energy: 1.946106847463956
Energy: 1.8156668544804444
Energy: 1.6650530967856574
Energy: 1.6888251870965794
Energy: 1.9189952082936077
Energy: 1.8209423546776635
Energy: 1.6536917528595214
Energy: 1.7648770331877088
Energy: 1.706530808876031

minimum gb energy = 1.6316531446566835 eV
minimum distance =  2.22442673624718 Angstroms
sigma value = 311


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

Energy: 1.805204459522998
Energy: 1.746368197400577
Energy: 1.792751377818148
Energy: 1.6771408923557083
Energy: 1.8160303649288307
Energy: 1.7985010829340267
Energy: 1.806412924484917
Energy: 1.7370165537980051
Energy: 1.8284035203487934
Energy: 1.7054849297108559
Energy: 1.7699941366019856
Energy: 1.742914149407963
Energy: 1.7449830813030769
Energy: 1.8335624334075864
Energy: 1.8117338242182948
Energy: 1.6748054783095248
Energy: 1.6916004091321077
Energy: 1.7527043484403364
Energy: 1.808495721845157
Energy: 1.7222393117380628
Energy: 1.8059459178504682
Energy: 1.650567164042188
Energy: 1.8702812591093987
Energy: 1.7098725045608631
Energy: 1.7460322947306122
Energy: 1.7466552593481783
Energy: 1.6514735479043576
Energy: 1.9239557563978675
Energy: 1.8050102638420185
Energy: 1.8652367156615144
Energy: 1.7880399478843587
Energy: 1.8087189358673066
Energy: 1.8129438491634426
Energy: 1.8531434162698739
Energy: 1.7604478481484696
Energy: 1.6758577077416463
Energy: 1.7621878703855312
Energy: 1.7334413380387892
Energy: 1.749373342736952
Energy: 1.730055394003958
Energy: 1.8296299104619098
Energy: 1.7716821962414777
Energy: 1.8168123181725941
Energy: 1.7603372431003987
Energy: 1.8184952838952848
Energy: 1.7630254474761164
Energy: 1.8375422438314408
Energy: 1.8103200568660842
Energy: 1.715480288743548
Energy: 1.8008153149572315
Energy: 1.8661213227235038
Energy: 1.7552355748373165
Energy: 1.7662606782316168
Energy: 1.8674708408077236
Energy: 1.7289693703629045
Energy: 1.6913851619825264
Energy: 1.800026848584158
Energy: 1.7761619319826243
Energy: 1.7754982247380893
Energy: 1.6805714687537427
Energy: 1.7236397665114276
Energy: 1.7711226418019321
Energy: 1.6384287538533766
Energy: 1.6501826613753214
Energy: 1.7777524868148382
Energy: 1.6488846008698403
Energy: 1.7782689349626368
Energy: 1.8357794167199086
Energy: 1.7333068618190026
Energy: 1.7856986496839555
Energy: 1.8886365599240629
Energy: 1.8749454053241632
Energy: 1.8241916262511646
Energy: 1.8668263657204995
Energy: 1.7805944779407477
Energy: 1.8238687242981733
Energy: 1.8059842179019756
Energy: 1.6734285639264033
Energy: 1.8314459581170819
Energy: 1.7298709746454808
Energy: 1.7008331088601443
Energy: 1.7082189840268849
Energy: 1.7755335313371636
Energy: 1.6967183988115386
Energy: 1.8174357914380497
Energy: 1.8622482418058803
Energy: 1.824163700934373
Energy: 1.7612954438714719
Energy: 1.8267794221245048
Energy: 1.8003917691120568
Energy: 1.7006428316109337
Energy: 1.7293476080062218
Energy: 1.808473201826683
Energy: 1.8321763589350182
Energy: 1.7854083810786066
Energy: 1.847884603859418
Energy: 1.7575313974339184
Energy: 1.8164516623947637
Energy: 1.748308430534457
Energy: 1.676547682968513
Energy: 1.8042545157207348
Energy: 1.79724999731844
Energy: 1.857438845108834
Energy: 1.7039013799302223
Energy: 1.7306714916775798
Energy: 1.685224778240324
Energy: 1.894978037546658
Energy: 1.636464705406018
Energy: 1.7661543321088837
Energy: 1.7256456796775912
Energy: 1.7120125251981975
Energy: 1.8015621960658146
Energy: 1.8614918011701427
Energy: 1.9134369698696474
Energy: 1.8831147324273252
Energy: 1.8522515277315816
Energy: 1.7973596146021467
Energy: 1.903111598633133
Energy: 1.7722022468848266
Energy: 1.6905923257859283
Energy: 1.816800512214816
Energy: 1.7896267693814132
Energy: 1.7425536776433856
Energy: 1.7297765342187112
Energy: 1.710063880911729
Energy: 1.7675401978646592
Energy: 1.8243057553144884
Energy: 1.7701291410574034
Energy: 1.8151808923112658
Energy: 1.807803612087819
Energy: 1.9100754675964644
Energy: 1.8061711705322199
Energy: 1.7844769368847122
Energy: 1.7620635983344886
Energy: 1.8332150056975811
Energy: 1.7847732666065246
Energy: 1.843066536289208
Energy: 1.9333719387465003
Energy: 1.781727109960619
Energy: 1.8419567966542307
Energy: 1.7593671603441163
Energy: 1.7152737080108733
Energy: 1.8087106720668085
Energy: 1.8870885169806613
Energy: 1.8575505581681553
Energy: 1.800253859173436
Energy: 1.7324171781001134
Energy: 1.6513904871984668
Energy: 1.7895603712895727
Energy: 1.821052121501078
Energy: 1.7560525308917667
Energy: 1.7499106860444615
Energy: 1.73585352956652
Energy: 1.7727705755784156
Energy: 1.9062138428550397
Energy: 1.8390769783831906
Energy: 1.8991915197502784
Energy: 1.8674923604658722
Energy: 1.80520990910311
Energy: 1.8923481316745794
Energy: 1.8158944999921562
Energy: 1.7167466443653974
Energy: 1.8476780022437371
Energy: 1.8492807010406698
Energy: 1.698487039557668
Energy: 1.7052683895522822
Energy: 1.7237242977599032
Energy: 1.7897701911152848
Energy: 1.8167617241492602
Energy: 1.801475641389473
Energy: 1.8880725989623792
Energy: 1.934225744806513
Energy: 1.905468891510187
Energy: 1.7888801345219256
Energy: 1.7564652461080437
Energy: 1.7550445120683253
Energy: 1.8738845699048978
Energy: 1.83776099266014
Energy: 1.8169874681496305
Energy: 1.8676239048323824
Energy: 1.7747127125043411
Energy: 1.8103342780327383
Energy: 1.7824577720822012
Energy: 1.7584755401451153
Energy: 1.8084480961147134
Energy: 1.6832092621076205
Energy: 1.9134551207772568
Energy: 1.7940829543155492
Energy: 1.7737984111538265
Energy: 1.7180748876412482
Energy: 1.813238392697638
Energy: 1.7231951110517103
Energy: 1.6731032874852574
Energy: 1.7928501652679298
Energy: 1.725814398347366
Energy: 1.7280484174434658
Energy: 1.8657438972517788
Energy: 1.8712156608826607
Energy: 1.8197098898854691
Energy: 1.890771930433351
Energy: 1.774542331803748
Energy: 1.8647094737809358
Energy: 1.763522993781702
Energy: 1.7140583546766957
Energy: 1.8250206261290345
Energy: 1.748431339799467
Energy: 1.7683821557302428
Energy: 1.8903558561389922
Energy: 1.8009876740114585
Energy: 1.7538083557845596
Energy: 1.8140749805975784
Energy: 1.7306574442942768
Energy: 1.7865210190123018
Energy: 1.7319435466160769
Energy: 1.8717507926924501
Energy: 1.7758444706127283
Energy: 1.7240251241542763
Energy: 1.7678802973264056
Energy: 1.8022414750762956
Energy: 1.841078001111751
Energy: 1.7666392825437225
Energy: 1.9426727133630175
Energy: 1.8250415121381653
Energy: 1.7998943313775468
Energy: 1.7977009976098006
Energy: 1.7535919680748595
Energy: 1.7714800178975583
Energy: 1.7287775664408898
Energy: 1.8866549959542849
Energy: 1.7987642129023482
Energy: 1.816047478439339
Energy: 1.7774890235291363
Energy: 1.7947014389120028
Energy: 1.7442985196925704
Energy: 1.7081041064050029
Energy: 1.7893835453220464
Energy: 1.7310241939813429
Energy: 1.826557367157796
Energy: 1.8652192506385543
Energy: 1.8928892117938578
Energy: 1.787756281430908
Energy: 1.8557749496274634
Energy: 1.73877407310887
Energy: 1.851052951026271
Energy: 1.8279895545281815
Energy: 1.7718195552009925
Energy: 1.8861078757168948
Energy: 1.7792043351778732
Energy: 1.7250398584963023
Energy: 1.7657970320956533
Energy: 1.7528084116825382
Energy: 1.891465191020157

minimum gb energy = 1.636464705406018 eV
minimum distance =  2.21875993789811 Angstroms
sigma value = 39


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

Energy: 1.6153820881882222
Energy: 1.6228536493115155
Energy: 2.015027317799789
Energy: 1.9201658299691697
Energy: 1.8299886865181043
Energy: 1.7278385577685247
Energy: 1.5580391369927062
Energy: 1.5618353870552448
Energy: 1.7343493576732492
Energy: 1.71611253872261
Energy: 1.6098164614084098
Energy: 1.6000376470666327
Energy: 1.6518473851140512
Energy: 1.6780764724189958
Energy: 1.650087763768981
Energy: 1.6375652819605948
Energy: 1.7320187478840092
Energy: 1.6065843138017621
Energy: 1.5987550174654743
Energy: 1.6666362134198716
Energy: 1.7684998358988178
Energy: 1.6268245688098646
Energy: 1.6186131553101362
Energy: 1.7048626167932444
Energy: 1.723870826022473
Energy: 1.6270488725024634
Energy: 1.7183894410738927
Energy: 1.775146555843768
Energy: 1.668137966136484
Energy: 1.5988558889507434
Energy: 1.690394197420294
Energy: 1.7118265017872873
Energy: 1.6275724052459521
Energy: 1.9514970419956132
Energy: 1.667123151377625
Energy: 1.5598944291698924
Energy: 1.5979310016550692
Energy: 1.7108093748231874
Energy: 1.8788204695817292
Energy: 1.7624321439336337
Energy: 1.6773918249281554
Energy: 1.6673267666448404
Energy: 1.958960580567769
Energy: 1.7780932876279731
Energy: 1.6772381853042913
Energy: 1.8599368900764222
Energy: 1.5599008991362093
Energy: 1.5609402084143245
Energy: 1.6532975801936751
Energy: 1.557505953992906
Energy: 1.7375072571997168
Energy: 1.9844056983707001
Energy: 1.7472315732516654
Energy: 1.7857488678470155
Energy: 1.737499852716535
Energy: 1.666993454905489
Energy: 1.5601248633032307
Energy: 1.738035855285062
Energy: 1.9253743019405702
Energy: 1.6197472981576329
Energy: 1.5981838639793853
Energy: 1.918481851865197
Energy: 1.6672307253773664
Energy: 1.9596440076222863
Energy: 1.718302089996874
Energy: 1.7179798704260072
Energy: 1.60868165428681
Energy: 1.60135047835794
Energy: 1.6515535164693855
Energy: 1.6667703449077362
Energy: 1.6244187513989357
Energy: 1.6174204210034866
Energy: 1.6999305676433425
Energy: 1.6190387540915234
Energy: 1.5988892558177497
Energy: 1.6880053858411022
Energy: 1.7788781961057736
Energy: 1.6664143742643984
Energy: 1.5980986942244084
Energy: 1.6833813039014
Energy: 1.6489254326110712
Energy: 1.6280143176773938
Energy: 1.6945349503563736
Energy: 1.6798219863630537
Energy: 1.5583819538336088
Energy: 1.6001178583540911
Energy: 1.7326537041930117
Energy: 1.7687036750014677
Energy: 1.7436167556759588
Energy: 1.7369388062669062
Energy: 1.666473829214341
Energy: 1.7407388027063135
Energy: 1.6182727529927008
Energy: 1.7120351345043865
Energy: 1.8625768695841658
Energy: 1.5606270261620472
Energy: 1.5589691989148857
Energy: 1.6916828689764496
Energy: 1.557708831252803
Energy: 1.73039195270495
Energy: 1.6767212334381647
Energy: 1.862582862621615
Energy: 1.5613759882584535
Energy: 1.5587300218692965
Energy: 1.6778377458041358
Energy: 1.5572610912130056
Energy: 1.8480482661116902
Energy: 1.9455667463891482
Energy: 1.6933415355444321
Energy: 1.8288432678110436
Energy: 1.7333042233193927
Energy: 1.5579513725298766
Energy: 1.6493072426452189
Energy: 1.7339179267767595
Energy: 1.7187838764989434
Energy: 1.6305581339471418
Energy: 1.5999036058341536
Energy: 1.6515783922402738
Energy: 1.679510559202792
Energy: 1.6498856397162591
Energy: 1.637160949930235
Energy: 1.6881573129210885
Energy: 1.6069158911509955
Energy: 1.5984539321382603
Energy: 1.6665474939094507
Energy: 1.7678287138599238
Energy: 1.6261418201766686
Energy: 1.6394460637140327
Energy: 1.7051460768117326
Energy: 1.7232064924705364
Energy: 1.626993674441904
Energy: 1.7185068860764154
Energy: 1.7755442925783755
Energy: 1.668444129149992
Energy: 1.598720838502582
Energy: 1.6906269222160353
Energy: 1.7127579022117008
Energy: 1.6271432170277342
Energy: 1.9510710790963293
Energy: 1.667273009213397
Energy: 1.5590086638544527
Energy: 1.5976649686826176
Energy: 1.7108666570315774
Energy: 1.8788914301606736
Energy: 1.7618752899517203
Energy: 1.55889811296462
Energy: 1.6666831876351642
Energy: 1.9580181290052259
Energy: 1.7501054852263613
Energy: 1.6762943499134293
Energy: 1.8447503300381671
Energy: 1.5596156094346405
Energy: 1.5614138825732466
Energy: 1.6919753260306396
Energy: 1.56195500875434
Energy: 1.7351904259010968
Energy: 1.9858684055721387
Energy: 1.7471569373875229
Energy: 1.7871156876924792
Energy: 1.737461777945232
Energy: 1.6681878706727074
Energy: 1.559487292535801
Energy: 1.739425312814659
Energy: 1.925480599264937
Energy: 1.6192955524051427
Energy: 1.5980113893418866
Energy: 1.7174825225471422
Energy: 1.6675867376260423
Energy: 1.9575309145513484
Energy: 1.7190811475182075
Energy: 1.7178225566407075
Energy: 1.60982805115979
Energy: 1.5987054630947635
Energy: 1.6508574700154934
Energy: 1.6665348181828554
Energy: 1.6241536128867555
Energy: 1.6176340901393966
Energy: 1.7000151724987635
Energy: 1.6197311401725367
Energy: 1.599357025911189
Energy: 1.7162254729072233
Energy: 1.7778639609479552
Energy: 1.667806375189221
Energy: 1.5985537704167563
Energy: 1.6822906206999508
Energy: 1.648829057420697
Energy: 1.628520824926785
Energy: 1.6951873767577414
Energy: 1.679499756722383
Energy: 1.558701885555832
Energy: 1.599814344617301
Energy: 1.7329786468870947
Energy: 1.7684959364136756
Energy: 1.743222268167694
Energy: 1.737008414509411
Energy: 1.668173109182311
Energy: 1.7409624020696204
Energy: 1.618292307987074
Energy: 1.71223099056965
Energy: 1.8627566716697899
Energy: 1.5604440836074802
Energy: 1.5589312773198984
Energy: 1.6906746731610038
Energy: 1.5591534457843623
Energy: 1.7323991606706854
Energy: 1.6761073886991882
Energy: 1.8796183904110435
Energy: 1.5615551191931714
Energy: 1.5585577415329848
Energy: 1.6777992188137383

minimum gb energy = 1.5572610912130056 eV
minimum distance =  2.23499455434275 Angstroms
sigma value = 21


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

Energy: 2.009179955543985
Energy: 1.76769501793755
Energy: 1.64763746566655
Energy: 1.8540615874872224
Energy: 1.7879189782492673
Energy: 1.6856377666775424
Energy: 1.657752486085551
Energy: 1.6545921822906045
Energy: 1.8297235411173356
Energy: 1.8711712821379602
Energy: 1.8633439808414833
Energy: 1.939445655428951
Energy: 1.8330448542885314
Energy: 1.8321884497612997
Energy: 1.8901761356220699
Energy: 1.7274789754432003
Energy: 1.645668584955327
Energy: 1.9306653686797515
Energy: 1.5721581872677608
Energy: 1.5719859846980442
Energy: 1.8506373022469926
Energy: 1.7910729631205353
Energy: 1.8423968309442835
Energy: 1.7221183341836988
Energy: 1.8034721640785392
Energy: 1.6932179507416838
Energy: 1.6336142185578282
Energy: 1.8495973835335713
Energy: 1.5724796339049862
Energy: 1.7204314030682621
Energy: 1.664034282796566
Energy: 1.5818625322432498
Energy: 1.636057889157558
Energy: 1.628642403446954
Energy: 1.5903259254681124
Energy: 1.5562962987139277
Energy: 1.6314458151815951
Energy: 1.6238892562412228
Energy: 1.713379357365619
Energy: 1.5979155778699066
Energy: 1.5830812088715764
Energy: 1.6436163990290444
Energy: 1.980246864920932
Energy: 1.6756744699452346
Energy: 1.6354461684246904
Energy: 1.735326763029946
Energy: 1.5891458287218845
Energy: 1.557436401060856
Energy: 1.6564728972030505
Energy: 1.6344769121095875
Energy: 1.6069111507485567
Energy: 1.6460703338227596
Energy: 1.7760919136486435
Energy: 1.5719294744647436
Energy: 1.5734329198230677
Energy: 1.7040214482419807
Energy: 1.6268564199065625
Energy: 1.767062318538731
Energy: 1.853546037765048
Energy: 1.660020395619646
Energy: 1.9866411995295339
Energy: 2.0870472513785536
Energy: 2.0326317553670785
Energy: 1.571672244419951
Energy: 1.8695336193281127
Energy: 1.6492849220603198
Energy: 1.8549244449715852
Energy: 1.6660401259302566
Energy: 1.8904563092126014
Energy: 1.790871354769955
Energy: 1.787413003121585
Energy: 1.777768295406105
Energy: 1.644404120772635
Energy: 1.6631588992095634
Energy: 1.5572975729177254
Energy: 1.5566497613399335
Energy: 1.8326317361609714
Energy: 1.863251160051118
Energy: 1.7220491403859248
Energy: 1.8542363982718022
Energy: 2.2047567233232086
Energy: 1.5571602006746308
Energy: 1.5568610337685036
Energy: 1.9224365755126966
Energy: 1.5570077583359858
Energy: 1.7243484527721846
Energy: 2.032104803772448
Energy: 1.8203278792751387
Energy: 1.7314534444949947
Energy: 1.6325834030791329
Energy: 1.6563234904050155
Energy: 1.5568824979903657
Energy: 1.744790054087947
Energy: 1.6449703437096455
Energy: 1.6833005557847858
Energy: 1.7987207581775624
Energy: 1.7038242278724416
Energy: 1.8324904062715726
Energy: 1.8894437581193009
Energy: 1.6374031190053653
Energy: 1.6475689250110976
Energy: 1.9601929992164298
Energy: 1.8333308302687865
Energy: 1.7998845969750787
Energy: 1.7905892317148346
Energy: 1.801356209183618
Energy: 1.7266739727945764
Energy: 1.693948824224411
Energy: 1.6700051295067893
Energy: 1.6934238868903693
Energy: 1.8407345391076413
Energy: 2.062394570627748
Energy: 1.5722725987874402
Energy: 1.7210157741321608
Energy: 1.625128648203167
Energy: 1.6319735509772642
Energy: 1.6684798381634482
Energy: 1.6283984656497181
Energy: 1.592112173986871
Energy: 1.5568136207604482
Energy: 1.6318789821465696
Energy: 1.6542825531002863
Energy: 1.920281686446634
Energy: 1.980310772782044
Energy: 2.131846731410471
Energy: 1.8957695237142522
Energy: 1.5554014632804851
Energy: 1.5910951408541858
Energy: 1.6237729747718026
Energy: 1.6666555470544542
Energy: 1.5880884043659396
Energy: 1.558074598262312
Energy: 1.6565657928255042
Energy: 1.6278162796793196
Energy: 1.606592820281589
Energy: 1.701976509483404
Energy: 1.6596734847544425
Energy: 1.7201932681553602
Energy: 1.5722037358854095
Energy: 1.5912406494724438
Energy: 1.6349097138751947
Energy: 1.6330839548450025
Energy: 1.8297590021235661
Energy: 1.9501427408165504
Energy: 1.938726185803863
Energy: 2.05054433349813
Energy: 2.029091709018783
Energy: 1.5717273076597014
Energy: 1.804548286215831
Energy: 1.6472753049084528
Energy: 1.6880690367521307
Energy: 1.612252212997024
Energy: 1.7839252516587436
Energy: 1.5697772600742053
Energy: 1.8328685815097163
Energy: 1.6651053654455772
Energy: 1.9547198560956154
Energy: 1.8851255780085316
Energy: 1.6920552183506774
Energy: 1.7117980181087276
Energy: 1.8338949585594535
Energy: 1.6536348925861697
Energy: 1.6379573261633233
Energy: 1.7693234760538246
Energy: 2.148728451360948
Energy: 1.5569358629832035
Energy: 1.55593663435939
Energy: 1.7178844826318869
Energy: 1.5567006289659642
Energy: 1.7560942702750169
Energy: 1.9019554094881899
Energy: 1.681471477676217
Energy: 1.6922818502689232
Energy: 1.9818944855278489
Energy: 1.8330631195337446

minimum gb energy = 1.5554014632804851 eV
minimum distance =  2.22288859151211 Angstroms
sigma value = 113


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

Energy: 1.8684744416815378
Energy: 2.0553897740948663
Energy: 2.0653279268290117
Energy: 2.046994841695538
Energy: 1.991767934511815
Energy: 2.0127496516661196
Energy: 2.0523785601044016
Energy: 2.062458381402121
Energy: 2.0974300917959803
Energy: 2.027358580797282
Energy: 2.1290643905736366
Energy: 2.0802631663921676
Energy: 2.0338079797819812
Energy: 2.0989164535908325
Energy: 2.0660826234859924
Energy: 1.97256672542071
Energy: 1.9617208472058407
Energy: 2.024913853263974
Energy: 2.0084976178985148
Energy: 1.9752637389122587
Energy: 2.108183388654507
Energy: 1.9046155781817258
Energy: 2.162754608358443
Energy: 1.926077360712338
Energy: 2.017953145041379
Energy: 2.0037168327169432
Energy: 1.9166244189834536
Energy: 2.0752311591816253
Energy: 1.865190489007975
Energy: 2.0539156139067702
Energy: 1.8433185541298378
Energy: 1.9921643341332123
Energy: 1.9161473263276612
Energy: 1.848220617466476
Energy: 1.945619191772614
Energy: 1.7400674835604375
Energy: 1.9164873394169426
Energy: 1.9900903935467786
Energy: 1.8422869530358097
Energy: 1.8166632480114984
Energy: 1.7972903276040335
Energy: 1.9360545668931497
Energy: 1.9602766541281156
Energy: 2.1282716515677857
Energy: 1.8357722436739534
Energy: 1.877225692180474
Energy: 1.876171124585079
Energy: 1.832792513002874
Energy: 2.056505578340401
Energy: 2.0432398478908564
Energy: 1.7082184001520275
Energy: 2.000957828495871
Energy: 2.033885801473827
Energy: 1.9415481704205664
Energy: 1.8649733232560157
Energy: 1.8143798406387668
Energy: 1.6314378062065973
Energy: 1.9196199606772664
Energy: 1.9197297854255235
Energy: 1.8585750804709549
Energy: 1.977688554234111
Energy: 1.9972957801953397
Energy: 1.9304248409963898
Energy: 1.8755889614800745
Energy: 1.8296083241869292
Energy: 1.8523184897243499
Energy: 1.9203822380314708
Energy: 1.9112016991599552
Energy: 1.9781042430321463
Energy: 1.8681670125828884
Energy: 1.8808720326513348
Energy: 1.8093900482134861
Energy: 1.8778379446627822
Energy: 1.717421548762672
Energy: 1.8911819069680869
Energy: 1.8674247522115675
Energy: 1.8194143739544713
Energy: 1.7125445801709482
Energy: 2.027464590735322
Energy: 1.9953268997532225
Energy: 2.0023369616868303
Energy: 1.847989487715017
Energy: 1.922374661380095
Energy: 2.014205975399182
Energy: 1.9276801575205318
Energy: 1.7025556306342102
Energy: 1.8973861152708797
Energy: 1.9342760309195417
Energy: 1.9216303775052666
Energy: 1.8092929850150896
Energy: 1.7487006767778852
Energy: 1.91155273360692
Energy: 1.8279496436552143
Energy: 2.034845554449072
Energy: 1.70606109131011
Energy: 1.7685478367494958
Energy: 1.849407481537114
Energy: 1.9643382919105326
Energy: 1.7449156379781128
Energy: 1.9459143499294764
Energy: 1.8567539385681098
Energy: 1.8470177811312274
Energy: 1.7197541463531436
Energy: 1.902949481315525
Energy: 1.8476796215220062
Energy: 1.8534465371472042
Energy: 1.86837691671729
Energy: 1.902930606022736
Energy: 1.9934963354489825
Energy: 1.9053784476218463
Energy: 1.9014584655683973
Energy: 1.91536832919317
Energy: 1.867023729445029
Energy: 2.0263933496383997
Energy: 1.9159884392826687
Energy: 2.0294759111393437
Energy: 1.9105204582994155
Energy: 1.9114072345805466
Energy: 2.0124246087768136
Energy: 1.8267029931688983
Energy: 1.9322207690893285
Energy: 1.9229158034533522
Energy: 1.92696343118945
Energy: 1.9150194040851076
Energy: 1.9446641021676303
Energy: 1.921738522541777
Energy: 1.9862139294060785
Energy: 2.104131738971029
Energy: 1.957569205682104
Energy: 2.1001221004723556
Energy: 1.9661135803842928
Energy: 2.031312635692357
Energy: 2.0016444377379465
Energy: 1.9024023648216681
Energy: 2.05887942226291
Energy: 1.9362116734863244
Energy: 2.055383612464899
Energy: 2.005109603432339
Energy: 1.914951701629213
Energy: 2.0956101244139353
Energy: 2.0667733333458487
Energy: 2.0191984570720405
Energy: 1.952794566152429
Energy: 2.147433151504809
Energy: 1.974699892400725
Energy: 1.8860783932595317
Energy: 2.1206153452394108
Energy: 2.0016089063944165
Energy: 2.01145787055817
Energy: 1.970560744449983
Energy: 2.1849581750016394
Energy: 1.9740176974464942
Energy: 1.8805529513174937
Energy: 2.0946524800116277
Energy: 1.8603453192977626
Energy: 2.0000070070598954
Energy: 2.0687512056516475
Energy: 2.0460710730157987
Energy: 1.99299630129894
Energy: 1.912546118187757
Energy: 2.0218657161396
Energy: 2.0578015853292313
Energy: 2.098921378753732
Energy: 2.014691164671072
Energy: 2.0550953420275553
Energy: 1.9743528665511199
Energy: 2.0380111856385756
Energy: 2.141547161485753
Energy: 1.8271536952341736
Energy: 1.9740614440000481
Energy: 1.9586238234913622
Energy: 2.023626612817343
Energy: 1.9131074924166256
Energy: 1.9855103481632401
Energy: 2.1214616717213706
Energy: 1.9016868157571887
Energy: 2.1487366364698497
Energy: 1.92973561858846
Energy: 2.017249648750036
Energy: 2.006829552784523
Energy: 1.918958251145368
Energy: 2.0736069265834858
Energy: 1.9459588214509072
Energy: 2.0172539544653145
Energy: 1.9280591443832609
Energy: 1.959847924053936
Energy: 1.9247115846465017
Energy: 1.9292835857022375
Energy: 1.943367231928205
Energy: 1.7395370311039926
Energy: 1.9185087294113514
Energy: 1.9560116865791766
Energy: 1.9060255688813537
Energy: 1.7746292910496897
Energy: 1.7990776530067654
Energy: 1.9361654936186625
Energy: 1.9230330532877475
Energy: 1.9485097570219565
Energy: 1.8335138590199718
Energy: 1.9867472933788421
Energy: 1.8740133845494948
Energy: 1.8315876530596344
Energy: 2.0510919708826036
Energy: 1.8386479606883512
Energy: 1.7074813183718127
Energy: 1.792207346664129
Energy: 2.0299444398618784
Energy: 1.9702117997061384
Energy: 1.758547256799695
Energy: 1.8144177546816846
Energy: 1.6834512130561878
Energy: 1.8209953100871112
Energy: 1.9200812834072447
Energy: 1.9795535303257066
Energy: 1.9757430021354128
Energy: 1.9993402302220284
Energy: 1.9332807124671845
Energy: 1.8569079322927091
Energy: 1.972048596111854
Energy: 1.8343050133488465
Energy: 1.8767465555948575
Energy: 1.9124309216516029
Energy: 1.9155064373207953
Energy: 1.8700519861438198
Energy: 1.8785956090035851
Energy: 1.807799419977414
Energy: 1.7759761689243265
Energy: 1.8946617884224008
Energy: 1.8398595229585575
Energy: 1.7368751766671975
Energy: 1.8502969178075717
Energy: 1.7092488419007523
Energy: 2.041120896044646
Energy: 1.9802555369818475
Energy: 2.0047577973070463
Energy: 1.9107013708252023
Energy: 1.9225717738084185
Energy: 1.9542885077380012
Energy: 1.9290517931378899
Energy: 1.700862778804072
Energy: 1.9015450796127467
Energy: 1.93802641815721
Energy: 2.0076207073269705
Energy: 1.8676884918147614
Energy: 1.7871415504697237
Energy: 1.9185662528186114
Energy: 1.8270527513811663
Energy: 1.9695942775949733
Energy: 1.863453706495297
Energy: 1.8030045766236047
Energy: 1.8346606229556348
Energy: 1.9465333055179226
Energy: 1.669150366898979
Energy: 1.9477499628868808
Energy: 1.8776185147395756
Energy: 1.842254860909323
Energy: 1.7364731564324252
Energy: 1.881312659432839
Energy: 1.8550085624365311
Energy: 1.882947209319273
Energy: 1.8385155975626388
Energy: 1.7702908129710089
Energy: 1.8877764475391918
Energy: 1.8615638705550723
Energy: 1.8563105293412203
Energy: 1.9183435275733216
Energy: 1.8715426129699277
Energy: 2.096899262749563
Energy: 1.9127450186953585
Energy: 2.0320476631069555
Energy: 1.9113710723135011
Energy: 1.8332070063313148
Energy: 1.9702843518501458
Energy: 1.8280225427486978
Energy: 1.88621183371656
Energy: 1.9448618653086296
Energy: 1.9295313399579979
Energy: 2.0084319694828086
Energy: 1.9374449285194346
Energy: 1.923362646790199
Energy: 1.9856850991928428
Energy: 2.103710929127759
Energy: 1.8574284716163447
Energy: 2.145823271425349
Energy: 2.08521011059874
Energy: 2.0777907033324556
Energy: 2.011808205193944
Energy: 1.9121852893165887
Energy: 2.055426502003683
Energy: 1.9357643103244915
Energy: 2.0525046203878445
Energy: 2.0048464422861727
Energy: 2.0133974325666735
Energy: 2.0959105447436306
Energy: 2.0687093609275995
Energy: 2.0406224454919806
Energy: 1.9556557616531967
Energy: 2.225374437096799
Energy: 1.9753609824729628
Energy: 1.8799225423742638
Energy: 2.1235051318305045
Energy: 2.0004115558044178
Energy: 2.009765773191198
Energy: 1.9667753060310549
Energy: 2.1510343390618867
Energy: 1.9732630807724967
Energy: 1.9189021824143044
Energy: 2.0737771303673003
Energy: 1.85174279805104
Energy: 2.003067202129479
Energy: 2.0709805843385864
Energy: 2.045572300020962
Energy: 1.9949651603149936
Energy: 1.9141936877166568
Energy: 2.0204129092156733

minimum gb energy = 1.6314378062065973 eV
minimum distance =  2.17216170183538 Angstroms
sigma value = 365


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

Energy: 1.7716691071715645
Energy: 1.72998346017612
Energy: 1.7506732035196126
Energy: 1.7311557253898187
Energy: 1.7280304435993614
Energy: 1.7499974930810884
Energy: 1.7307401455965372
Energy: 1.6589292538035294
Energy: 1.9943051221648613
Energy: 1.7072340149378542
Energy: 1.7109854966880154
Energy: 1.710404455429762
Energy: 1.7098483670042077
Energy: 1.9945030706064086
Energy: 1.7607602204652655
Energy: 1.999548468187732
Energy: 1.7115748040059533
Energy: 1.7093174384873917
Energy: 1.7083256420921873
Energy: 1.7101298740101483
Energy: 1.727877682674201
Energy: 1.7619568077789831
Energy: 1.999799015642287
Energy: 1.7116030148090862
Energy: 1.7103387194797273
Energy: 1.7095302878970131
Energy: 1.7116191583929354
Energy: 1.7317355337905724
Energy: 1.6603212612087765
Energy: 1.9930521214689674
Energy: 1.629762654234052
Energy: 1.9662137632575305
Energy: 1.708315160370336
Energy: 1.6292320281420878
Energy: 1.996870845370159
Energy: 1.7087901968769008
Energy: 1.9990023276183517
Energy: 1.7087920638848262
Energy: 1.7300937985408391
Energy: 1.708758796165337
Energy: 1.7107772614014705
Energy: 1.7296884348018962
Energy: 1.7617813205531159
Energy: 1.993813698104796
Energy: 1.7116710087845388
Energy: 1.7099103492216212
Energy: 1.7092977424179758
Energy: 1.7103363598052335
Energy: 2.146979638491705
Energy: 1.7605262480749166
Energy: 1.9652408101769345
Energy: 1.7114985505931024
Energy: 1.7093539221962943
Energy: 1.7082640067367896
Energy: 1.7099456721663147
Energy: 1.9958766968728883
Energy: 1.761812946114484
Energy: 2.0001525440469217
Energy: 1.7078399390954662
Energy: 1.7103016155136215
Energy: 1.7096072274135161
Energy: 1.7126232970022326
Energy: 1.731377811708971
Energy: 1.6295744723186163
Energy: 1.993785560365695
Energy: 1.6288736036958587
Energy: 1.9664719174578547
Energy: 2.147400774809935
Energy: 1.6289519480642152
Energy: 1.9958358866163723
Energy: 1.76116154982139
Energy: 2.000414640995053
Energy: 1.7079404894303745
Energy: 1.709993452205766
Energy: 1.7106292195702
Energy: 1.7102925028569569
Energy: 1.730893521280456
Energy: 1.7600841352702592
Energy: 1.9968700168507552
Energy: 1.710901013654673
Energy: 1.7090284747451883
Energy: 1.7084740686148236
Energy: 1.7101743359650012
Energy: 1.9941600716977956
Energy: 1.761894061773221
Energy: 1.9936961819249366
Energy: 1.7077326489231441
Energy: 1.710585398553242
Energy: 1.7096556745273102
Energy: 1.7109173157195643
Energy: 1.9954445577510165
Energy: 1.709989216052126
Energy: 1.999913435542697
Energy: 1.7078581055713293
Energy: 1.7311493943954916
Energy: 1.7300985408285885
Energy: 1.7085329148588506
Energy: 1.7319406566988629
Energy: 1.6590080020562559
Energy: 2.147391690735268
Energy: 1.6293588294822596
Energy: 1.7119228633506651
Energy: 1.7094688580423723
Energy: 1.7073031507052991
Energy: 1.9950380712234588
Energy: 1.760428136468063
Energy: 2.038161214104325
Energy: 1.712174788819385
Energy: 1.7100916266904793
Energy: 1.709367466480273
Energy: 1.710163154268399
Energy: 1.7277377417733892
Energy: 1.7606218136667366
Energy: 1.9993923513112652
Energy: 1.7118604482291542
Energy: 1.709361879272789
Energy: 1.7086934571675159
Energy: 1.710614287972874
Energy: 1.728156196598322
Energy: 1.6588784850943576
Energy: 1.993854843758863
Energy: 1.7072609877983644
Energy: 1.711193103861719
Energy: 1.7116927781224587
Energy: 1.7069623794022142
Energy: 1.9951314691716817
Energy: 1.7288210456493052
Energy: 2.000645523249273
Energy: 1.7105006311581175
Energy: 1.730979408518525
Energy: 1.7289532663048026
Energy: 1.709406693860684
Energy: 1.730114290262003
Energy: 1.7122740537382983
Energy: 1.9937111671892953
Energy: 1.707312375763634
Energy: 1.710592861532607
Energy: 1.7099515180848157
Energy: 1.7100168656333883
Energy: 1.9954258009482455

minimum gb energy = 1.6288736036958587 eV
minimum distance =  2.21783436941754 Angstroms
sigma value = 23