Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014532299
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083898807843395e-19, 4.2789331364237998e-19, 4.6747188303208195e-19, 5.014941038550719e-19, 5.311327694074379e-19, 5.57166537533304e-19, 5.80149761348034e-19, 6.004909958932979e-19, 6.18501063436092e-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: 0.02046603101951902
Energy: 0.026703382300865868
Energy: 0.1762478059033172
Energy: 0.1757016701890984
Energy: 0.025542449419075172
Energy: 0.022418098409948
Energy: 0.17447549337664592
Energy: 0.17619073422446488
Energy: 0.17538723414643073
Energy: 0.0245552659462443
Energy: 0.020916201046825733
Energy: 0.17517522470849048
Energy: 0.17496049314231496
Energy: 0.17649370181281204
Energy: 0.17707362922377717
Energy: 0.17509197294368994
Energy: 0.1753356536889219
Energy: 0.17469764015030093
Energy: 1.117754674665119
Energy: 0.17683981239393698
Energy: 0.17505642192640564
Energy: 0.02496365215369689
Energy: 0.021093160902506947
Energy: 0.17647670917203043
Energy: 0.17660600206454707
Energy: 0.17479488269262347
Energy: 0.02387082472852479
Energy: 0.021019250557504466
Energy: 0.17485658990456415
Energy: 0.17445612666041127
Energy: 0.17472094129961221
Energy: 0.021579807037379176
Energy: 0.021952058435331687
Energy: 0.17480733751546274
Energy: 0.17418466377843764
Energy: 0.1757283438635739
Energy: 0.021910001380903453
Energy: 0.021335932964678266
Energy: 0.17380476280402865
Energy: 0.17406252187175142
Energy: 0.17516074283358868
Energy: 0.1751119231917803
Energy: 0.1754956210058882
Energy: 0.02256873379969933
Energy: 0.021439045372327988
Energy: 0.17479935701670546
Energy: 0.17611079502064764
Energy: 0.17549512359536498
Energy: 0.023513567476118116
Energy: 0.1739512454776169
Energy: 0.1750009309591377
Energy: 1.1187100301928063
Energy: 0.1761095694211005
Energy: 0.021751099080311566
Energy: 0.020989829225068375
Energy: 0.17510770280498572
Energy: 1.117418166048063
Energy: 0.17650365942798807
Energy: 0.022202257263827525
Energy: 0.020898819435078653
Energy: 0.02091761889878321
Energy: 0.1760176616998828
Energy: 0.17457451468601543
Energy: 0.17683797656191552
Energy: 0.17642533807459726
Energy: 0.020980022064019315
Energy: 0.17607714793540266
Energy: 0.17407391589615348
Energy: 0.17632993845706568
Energy: 0.1764253338734173

minimum gb energy = 0.02046603101951902 eV
minimum distance =  2.45837340216245 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.9236081974379045
Energy: 1.7388299084227887
Energy: 1.604237971049951
Energy: 1.6004535609411914
Energy: 1.8126500871943625
Energy: 1.7542703454321298
Energy: 1.798730474509109
Energy: 1.6004081982641667
Energy: 1.5996848192189816
Energy: 1.7377793718411974
Energy: 1.4605844382929833
Energy: 1.6609039318348253
Energy: 1.6054675026959662
Energy: 1.4568735837566404
Energy: 1.3480621187802844
Energy: 1.3567362725564969
Energy: 1.7587317344952165
Energy: 1.6099963873154794
Energy: 1.469082933095476
Energy: 1.6219047562690407
Energy: 1.567151035984816
Energy: 1.4019029758086543
Energy: 1.7641642660056058
Energy: 1.3330946660274445
Energy: 1.5964873743587786
Energy: 1.3258554553942543
Energy: 1.7776488976283873
Energy: 1.6196828177354798
Energy: 1.5276342414966684
Energy: 1.5960576439071519
Energy: 1.5635982793564367
Energy: 1.6049653185681174
Energy: 1.58666600290872
Energy: 1.3381698470961383
Energy: 1.5956688831609855
Energy: 1.3268096543046248
Energy: 1.6122124929275188
Energy: 1.5860603877377457
Energy: 1.4630916536940195
Energy: 1.589874385642936
Energy: 1.8365548981142892
Energy: 1.590753904791285
Energy: 1.7229245945891853
Energy: 1.8322469100684227
Energy: 1.349062327005283
Energy: 1.662652306620129
Energy: 1.642863139760411
Energy: 1.722821900371529
Energy: 1.8338702785514096
Energy: 1.4299922054681542
Energy: 1.6856462766698732
Energy: 1.9375942290506127
Energy: 1.7365012981482482
Energy: 1.4160622982476991
Energy: 1.960245067107705
Energy: 1.5861006924718695
Energy: 1.9424313316085913
Energy: 1.4114833991874252
Energy: 1.6145855201330355
Energy: 1.4249329765994754
Energy: 1.6291769869729584
Energy: 1.7658079693901687
Energy: 1.9063628873595981
Energy: 1.6639208330131794
Energy: 1.6279561139028442
Energy: 1.6289973586760154
Energy: 1.6360671682647043
Energy: 1.6569105178150876
Energy: 1.66610626874387
Energy: 1.6311524397392125
Energy: 1.6234869670655379
Energy: 1.7624581428120543
Energy: 1.483123918087343
Energy: 1.564053489654035
Energy: 1.7346857334003993
Energy: 1.6237991288188816
Energy: 1.7489027598003861
Energy: 1.8188810940550924
Energy: 1.8064667820632359
Energy: 1.6256827262267
Energy: 1.6358673503237076
Energy: 1.4884728457980023
Energy: 1.3634151380684798
Energy: 1.904627881237737
Energy: 1.7224858784346444
Energy: 1.6342397160833924
Energy: 1.4867641667898248
Energy: 1.402883052143501
Energy: 1.7528131332736954
Energy: 1.7202240049267024
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Energy: 1.6097542724745741
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Energy: 1.7568409048604317
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Energy: 1.607365705356015
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Energy: 1.4480305382924206
Energy: 1.8617903512646992
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Energy: 1.7696097103244155
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Energy: 1.586339120843055
Energy: 1.6107213453950013
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Energy: 1.9301763889272732
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Energy: 1.519866527264354
Energy: 1.5380303625362495
Energy: 1.6389793735089824
Energy: 1.7781318607615737
Energy: 1.7654684060264227
Energy: 1.5544778271256858
Energy: 1.3560598394000678
Energy: 1.6270735147443733
Energy: 1.7664546076297372
Energy: 1.8843598583137047
Energy: 1.8684975428585613
Energy: 1.7663690102376317
Energy: 1.6287729002359121
Energy: 1.6246405954263288
Energy: 1.8305702856876287
Energy: 1.7561557065766722
Energy: 1.825812093976399
Energy: 1.625213165406104
Energy: 1.6260122571073994
Energy: 1.7722816770329703
Energy: 1.434951302788591
Energy: 1.5810390046399618
Energy: 1.6874263922039754
Energy: 1.4838333870221303
Energy: 1.3569841463426462
Energy: 1.3603655171100546
Energy: 1.7797777670488648
Energy: 1.6996321097005294
Energy: 1.4853037029614664
Energy: 1.5399622065601988
Energy: 1.498969318605356
Energy: 1.6173853458942893
Energy: 1.551394874908911
Energy: 1.4153630929214764
Energy: 1.5998627986027818
Energy: 1.3329075581544187
Energy: 1.5856214577617933
Energy: 1.4168994168449782
Energy: 1.505044887264016
Energy: 1.6075469639466704
Energy: 1.4968639311557161
Energy: 1.421872231210903
Energy: 1.5853406025126335
Energy: 1.3298413097877475
Energy: 1.4044256549800065
Energy: 1.3308779517626954
Energy: 1.4202895637570403
Energy: 1.5866671030557171
Energy: 1.493113450695068
Energy: 1.4038325192525252
Energy: 1.6089740075318528
Energy: 1.6723820800286182
Energy: 1.7057964478255547
Energy: 1.8332834535229698
Energy: 1.347969578836735
Energy: 1.826390791590149
Energy: 1.7006027332493872
Energy: 1.7102980487092667
Energy: 1.8346718018386434
Energy: 1.3534102462865552
Energy: 1.682639891516729
Energy: 1.9289035251412243
Energy: 1.755977135399745
Energy: 1.6166644849810208
Energy: 1.5115679499562773
Energy: 1.5959853716288253
Energy: 1.936348061141609
Energy: 1.412379213238541
Energy: 1.589873746742657
Energy: 1.413867123140915
Energy: 1.631327039959735
Energy: 1.7011804144737968
Energy: 1.7537709317221042
Energy: 1.6600756464469253
Energy: 1.6296334999386572
Energy: 1.7561958410077714
Energy: 1.837208705109838
Energy: 1.6697617115222403
Energy: 1.441422533103493
Energy: 1.6312903163515549
Energy: 1.6223799124881995
Energy: 1.7451964632816783
Energy: 1.754485074789889
Energy: 1.5623371172222429
Energy: 1.713837711419063
Energy: 1.6229724364783682
Energy: 1.74193355650849
Energy: 1.6144091650291748
Energy: 1.813327540879057
Energy: 1.6260668074813496
Energy: 1.634472740770592
Energy: 1.4858626933059733
Energy: 1.4066617946996867
Energy: 1.7737135056695341
Energy: 1.7187849451310628
Energy: 1.6316274281969139
Energy: 1.4844251967076585
Energy: 1.4048696154926676
Energy: 1.7966491789304948
Energy: 1.7158663412675503
Energy: 1.4962328580205606
Energy: 1.6100507076058166
Energy: 1.4129720175795903
Energy: 1.6305485221447773
Energy: 1.588420778528759
Energy: 1.4859319083412872
Energy: 1.605023096882017
Energy: 1.412641348813212
Energy: 1.542804391899977
Energy: 1.589214828405454
Energy: 1.6059334704461161
Energy: 1.4159981760987264
Energy: 1.6120280365267037
Energy: 1.5400972247307214
Energy: 1.7662280179257646
Energy: 1.582999420613428
Energy: 1.4124356280553325
Energy: 1.6260484488046738
Energy: 1.432212388491008
Energy: 1.5892397576550745
Energy: 1.8308240889331817
Energy: 1.4964667905321476
Energy: 1.536634976244461
Energy: 1.7586313778190128
Energy: 1.7053815186673904
Energy: 1.6682166995101047
Energy: 1.3390968116577449
Energy: 1.4420808092752084
Energy: 1.8820695873500302
Energy: 1.7967606857558518
Energy: 1.8425300391697912
Energy: 1.5875599599170584
Energy: 1.7964775519716412
Energy: 1.932835764235574
Energy: 1.5860977630061441
Energy: 1.6039913793680143
Energy: 1.8317268935837778
Energy: 1.6256249541789591
Energy: 1.9279057717281136
Energy: 1.6826670559829544
Energy: 1.6352851122826668
Energy: 1.6182027121586176
Energy: 1.6070523562181451
Energy: 1.7498329078569872
Energy: 1.6212924730340756
Energy: 1.3591973523016387
Energy: 1.3489235646194158
Energy: 1.603432450222952
Energy: 1.7356698609989478
Energy: 1.6714264644482453
Energy: 1.930006824119053
Energy: 1.7397806796294897
Energy: 1.6072841729245
Energy: 1.5995948034774332
Energy: 1.815538592758223
Energy: 1.7599154556235905
Energy: 1.8173200888462435
Energy: 1.604147024612492
Energy: 1.5977339851471157
Energy: 1.750547327252472

minimum gb energy = 1.3258554553942543 eV
minimum distance =  2.18960288529415 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.5601572444413003
Energy: 1.8303017913777295
Energy: 1.5069881104003124
Energy: 1.5413156355662847
Energy: 1.8837020203311952
Energy: 2.3784830244166346
Energy: 1.8844189514048426
Energy: 1.525704805920049
Energy: 1.5562920046925195
Energy: 1.7953830106393067
Energy: 1.5477410612177305
Energy: 1.6323522665584205
Energy: 1.524817206450673
Energy: 1.5523177324308874
Energy: 1.5202338049144524
Energy: 1.560044845127754
Energy: 1.5364414354681921
Energy: 1.5243637570773758
Energy: 1.5897241823079733
Energy: 1.5642292360552537
Energy: 1.768396055683116
Energy: 1.9324550792767066
Energy: 1.9323260559051572
Energy: 1.5903954290378184
Energy: 1.6224260757394973
Energy: 1.5097357555974908
Energy: 1.9323113004759689
Energy: 1.9324420931349622
Energy: 1.5844187537963939
Energy: 1.6065786994474374
Energy: 1.5095805408347291
Energy: 1.5603288022694135
Energy: 1.5887442063590327
Energy: 1.5728712212851026
Energy: 1.5927522613871639
Energy: 1.555550735722075
Energy: 1.5444865285492857
Energy: 1.5416311539610923
Energy: 1.581333752729568
Energy: 1.592908332706747
Energy: 1.5504171600949066
Energy: 1.5875561108142615
Energy: 1.8874821437707636
Energy: 1.9127541276367903
Energy: 1.4997106915689522
Energy: 1.5488783025661383
Energy: 1.5686569098276661
Energy: 1.5670738170371903
Energy: 1.9155780567737102
Energy: 1.5385381465302441
Energy: 1.514703027946184
Energy: 1.9497205235971082
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Energy: 1.5457982288705836
Energy: 1.5654535006742818
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Energy: 1.6410482467153578
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Energy: 1.603678289073685
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Energy: 1.5145310888795078
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Energy: 1.5416662623558526
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Energy: 1.589971414345683
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Energy: 1.9357237671965777
Energy: 1.6280531158072042
Energy: 1.5474700247201387
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Energy: 1.5416457432476598
Energy: 1.6016776459646331
Energy: 1.5789121737793415
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Energy: 1.558187411816409
Energy: 1.5402879697650205
Energy: 1.5888071994864084
Energy: 1.8823220894389037
Energy: 1.5670124278536341
Energy: 1.5736419008868345
Energy: 1.5245435416695186
Energy: 1.87845433011892
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Energy: 1.5786422252732182
Energy: 1.5545841405193899
Energy: 1.5240381040296855
Energy: 1.5759053091147792
Energy: 1.5500217759571988
Energy: 1.5502555036603125
Energy: 1.5751461461209384
Energy: 1.574465839469782
Energy: 1.5686937390825444
Energy: 1.5552527185303624
Energy: 1.55924301640194
Energy: 1.5752928326085716
Energy: 1.548186445841208
Energy: 1.5497388925036313
Energy: 1.6231185060241047
Energy: 1.6049795779832192
Energy: 1.5499338739224238
Energy: 1.507100479585237
Energy: 1.526921795927016
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Energy: 1.5549954997904327
Energy: 1.5912499276593477
Energy: 1.5161954814873861
Energy: 1.9750577970560148
Energy: 1.6371685481679434
Energy: 1.5925739472770437
Energy: 1.592572712902647
Energy: 1.6372157894563022
Energy: 1.9330923850199606
Energy: 1.6804182886348207
Energy: 1.592286221625619
Energy: 1.5913209937622501
Energy: 1.6541070904122628
Energy: 1.9327062902925136
Energy: 1.5736468841940783
Energy: 1.5555707710769258
Energy: 1.6215602401064595
Energy: 1.5237002469118364
Energy: 1.5414988601145143
Energy: 1.6091420574699995
Energy: 1.5333942573136652
Energy: 1.530957650431817
Energy: 1.6238397670213236
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minimum gb energy = 1.4997106915689522 eV
minimum distance =  2.2124848934582 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.8184811647843078
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Energy: 1.5711072941585573
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Energy: 1.7268934321526077
Energy: 1.647647882646484
Energy: 1.6306432923033467
Energy: 1.664374080895522
Energy: 2.2513339076910706
Energy: 1.6746546889671237
Energy: 1.676929651051579
Energy: 1.631130231858447
Energy: 1.6629752072621011
Energy: 1.7716006042395587
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Energy: 1.6464833757292252
Energy: 1.6322134047581245
Energy: 1.6221000317144503
Energy: 1.6203495429146424
Energy: 1.5341749301835963
Energy: 1.6356457530300088
Energy: 1.740752118722347
Energy: 1.6211472160896883
Energy: 1.5945658447074873
Energy: 1.6730292184270337
Energy: 1.6611743749548475
Energy: 1.7805176647202452
Energy: 1.653743896549706
Energy: 1.6798258151289427
Energy: 1.6791196288544343
Energy: 1.6315848967098892
Energy: 1.6044557190827844
Energy: 1.6365582747824712
Energy: 1.6577136522965794
Energy: 1.623578081334947
Energy: 1.6205179569107149
Energy: 1.6039885620351724
Energy: 1.5881998680828922
Energy: 1.6554736011386353
Energy: 1.6205741797004611
Energy: 1.6180513814889839
Energy: 1.7651904438826653
Energy: 1.800986832568073
Energy: 1.64335221006658
Energy: 1.6198638877068627
Energy: 1.6219825759652164
Energy: 1.5720300463603825
Energy: 1.7433619736924693
Energy: 1.6432184600565158
Energy: 1.6199135875898156
Energy: 1.618527942210658
Energy: 1.7110437017319895
Energy: 1.726126412431661
Energy: 1.8130704493805694
Energy: 1.7432120784113452
Energy: 1.8019712196016588
Energy: 1.7835028564151236
Energy: 1.5318133020905897
Energy: 1.8139024944056714
Energy: 1.6863647287318586
Energy: 1.8020129070874287
Energy: 1.7477347686373361
Energy: 1.6176496891813734
Energy: 1.552898736355031
Energy: 1.5730585355316369
Energy: 1.5975784553631858
Energy: 1.6222615302613514
Energy: 1.5953370181024917
Energy: 1.540104404916805
Energy: 1.537344359891244
Energy: 1.615851471729391
Energy: 1.6183601621763761
Energy: 1.6152050933544506
Energy: 1.5528390601699271
Energy: 1.558935364219509
Energy: 1.5598639124088949
Energy: 1.5385565059075264
Energy: 1.702056326023114
Energy: 1.5383921469900066
Energy: 1.5252529367467509
Energy: 1.526671538150927
Energy: 1.7160895201655564

minimum gb energy = 1.4345077222841318 eV
minimum distance =  2.22991957502905 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.8394361671759878
Energy: 1.5810197491780473
Energy: 1.4722351485251637
Energy: 1.5757778135674878
Energy: 1.5840881793229884
Energy: 1.73085772205085
Energy: 1.5776786489735568
Energy: 1.5198190244622443
Energy: 1.5985372879372135
Energy: 1.5837200720763838
Energy: 1.599392546969199
Energy: 1.7494249424837267
Energy: 1.56271983444417
Energy: 1.5623606199897757
Energy: 1.636935984096394
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Energy: 1.7335663633115905
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Energy: 1.5999113717459672
Energy: 1.6980887079809939
Energy: 1.557986694550162
Energy: 1.6787065356686572
Energy: 1.6090925341564992
Energy: 1.6413845641022138
Energy: 1.727861371256715
Energy: 1.4600250190812798
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Energy: 1.3884360635483088
Energy: 1.467700080675249
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Energy: 1.6066110125621844
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Energy: 1.5796210298656317
Energy: 1.4715946673723175
Energy: 1.615313704660151
Energy: 1.6124630938006597
Energy: 1.6294829647834388
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Energy: 1.4669717435709817
Energy: 1.6088921759264905
Energy: 1.6115565920082808
Energy: 1.6726180367374088
Energy: 1.4732683184114008
Energy: 1.7470793325128928
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Energy: 1.652247467071904
Energy: 1.8472805140788833
Energy: 1.6534152963857833
Energy: 1.7002729101520464
Energy: 1.4678271116132768
Energy: 1.6778949383818993
Energy: 1.8468142386996194
Energy: 1.608382908893134
Energy: 1.5935692951739615
Energy: 1.5444615291287151
Energy: 1.5430299670245045
Energy: 1.610878579355413
Energy: 1.6674211013604177
Energy: 1.5920934422141302
Energy: 1.4936454163164516
Energy: 1.5664267490412054
Energy: 1.72670397917206
Energy: 1.563129162949301
Energy: 1.8453965134331067
Energy: 1.4622487501785533
Energy: 1.5593047019251292
Energy: 1.596817228153403
Energy: 1.6111681236567001
Energy: 1.8451961214920263
Energy: 1.5663264199969815
Energy: 1.5561111333769972
Energy: 1.552206580804435
Energy: 1.5452103991816142
Energy: 1.7254348723098378
Energy: 1.6575932789444034
Energy: 1.436627969430288
Energy: 1.4589832079002072
Energy: 1.5029522332348473
Energy: 1.5720717782477205
Energy: 1.6376252305651684
Energy: 1.4416612175640269
Energy: 1.5461187088367905
Energy: 1.5388441838933629
Energy: 1.7215083242416975
Energy: 1.6618742179007697
Energy: 1.507822531604378
Energy: 1.5530967070092578
Energy: 1.5858586475510121
Energy: 1.6366316464656079
Energy: 1.625393929771067
Energy: 1.4715863822809467
Energy: 1.6517677046661845

minimum gb energy = 1.3884360635483088 eV
minimum distance =  2.267034587069 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.447386997892885
Energy: 1.2554207720629111
Energy: 1.3788587145414357
Energy: 1.2954542591614657
Energy: 1.2567088072039339
Energy: 2.44665739040971
Energy: 1.4339725650345116
Energy: 1.3779035310328778
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Energy: 1.3841088805182777
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Energy: 1.295600429479709
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Energy: 1.3708435884247767
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Energy: 1.3019065752310428
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Energy: 1.3865489802835216
Energy: 1.685444934697816
Energy: 1.3703930575925327
Energy: 1.4202243410066997
Energy: 1.3840683485815073
Energy: 1.370101783136773
Energy: 1.6863487624515767
Energy: 1.3706430253933344
Energy: 1.4060145710466574
Energy: 1.383910264498494
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Energy: 1.3691350386553098
Energy: 1.3704852278063326
Energy: 1.3471665070213734
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Energy: 1.410757758641466
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Energy: 1.3728033155263315
Energy: 1.4120113945264012
Energy: 1.4965005522673989
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Energy: 1.370812592407221
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Energy: 1.3469815172084778
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Energy: 1.3707887111049044
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Energy: 1.4105294774074681
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Energy: 1.3725660033409344
Energy: 1.3691894283983725
Energy: 1.4357574185670967
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Energy: 1.3732877327731625
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Energy: 1.3690001509583674
Energy: 1.4327621620695128
Energy: 1.373443235605201
Energy: 1.3731114886029632
Energy: 1.3888878961543338
Energy: 1.44622607886855
Energy: 1.3713193979893485
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Energy: 1.3897521790872234
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Energy: 1.3724981287201283
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Energy: 1.4420279104769158
Energy: 1.3887890213453442
Energy: 1.3713497982173866
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Energy: 1.2998247575934443
Energy: 1.2961870230289425
Energy: 1.3882909492354418
Energy: 1.3710908161150126
Energy: 1.304237867289214
Energy: 1.2979090771182713
Energy: 1.295709574392805
Energy: 1.3701962378582793
Energy: 2.1869274116642243
Energy: 1.2686220563549016
Energy: 1.3217591583985984
Energy: 1.312084261802341
Energy: 1.3694033972757627
Energy: 2.190527003601974
Energy: 1.2687506059200508
Energy: 1.3207473522300512
Energy: 1.3124089240525718
Energy: 1.404930776681781
Energy: 1.4062071256369453
Energy: 1.3829266374988698
Energy: 1.3511475857673825
Energy: 1.2972607897187596
Energy: 1.347420877324292
Energy: 1.4062866149214508
Energy: 1.3850838999310076
Energy: 1.349642634300247
Energy: 1.3019327789185757
Energy: 1.5029609346262696
Energy: 1.2974000673598702
Energy: 1.3489244501252364
Energy: 1.349354418982578
Energy: 1.394107414324346
Energy: 1.3857038520887752
Energy: 1.2970330969205992
Energy: 1.3486302155334136
Energy: 1.3497138344183717
Energy: 1.414746722257075

minimum gb energy = 1.2538656654484732 eV
minimum distance =  2.28891032403858 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 1.0159050899369415
Energy: 1.3037441055500059
Energy: 1.3191111394937967
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Energy: 0.9599305143420499
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Energy: 1.3956953895875304
Energy: 1.0347703414292684
Energy: 0.8731101597936276
Energy: 0.9199362008510171
Energy: 0.9359374450306879
Energy: 1.1278260168167376
Energy: 0.8341432933312996
Energy: 0.8332402557661562
Energy: 1.2994376015684141
Energy: 2.22918100048992
Energy: 1.0893162224718858
Energy: 0.9551851314390318
Energy: 0.934120637061381
Energy: 1.1373256048738387
Energy: 1.0671194501777748
Energy: 1.0106628597306628
Energy: 0.8130561250458919
Energy: 0.998441793569591
Energy: 1.1600336399648417
Energy: 1.0035276274423908
Energy: 0.9693709015156016
Energy: 0.9669055497024136
Energy: 0.9296432285906939
Energy: 1.063074386249618
Energy: 1.3200840708623627
Energy: 1.0279715036361254
Energy: 1.0762434673993375
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Energy: 0.9840965861903469
Energy: 1.1187626503076853
Energy: 1.115226782592179
Energy: 0.8403373049934542
Energy: 1.1724793633425838
Energy: 1.306184206983528
Energy: 1.2845035039421644
Energy: 1.060373871717549

minimum gb energy = 0.5265111440580007 eV
minimum distance =  2.34566577110658 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 2.1303414564760765
Energy: 1.2518296537013693
Energy: 1.2091458481245485
Energy: 1.1970123102658659
Energy: 1.2152423369917174
Energy: 2.0755003108762105
Energy: 1.223032075009269
Energy: 1.2103294472619994
Energy: 1.2576219815427572
Energy: 1.2600845307657116
Energy: 1.23599682164836
Energy: 1.1799190910893689
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Energy: 1.2638825019280069
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Energy: 1.5045465928472044
Energy: 1.2688165051485443
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Energy: 1.460301152574631
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Energy: 1.2430902018341439
Energy: 1.3060224098359101
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Energy: 1.3690190561719553
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Energy: 1.3969330008355847
Energy: 1.261240601053524
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Energy: 1.2430038195339683
Energy: 1.3876648097143571
Energy: 1.2616480305483808
Energy: 1.2440907768586194
Energy: 1.2426003137599062
Energy: 1.2430450723993947
Energy: 1.3228856974358567
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Energy: 1.4749985674900274
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Energy: 1.3653371467512168
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Energy: 1.3917231021244412
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Energy: 1.2361598059221828
Energy: 1.2538661629742933
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Energy: 1.2669163053447183
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Energy: 1.2505219349152559
Energy: 1.3973814419402997
Energy: 1.260467650523005
Energy: 1.3382663213020976
Energy: 1.3465716842880269
Energy: 1.2207796426104227
Energy: 1.2189914753941766
Energy: 1.260014144982947
Energy: 1.2281474062628197
Energy: 1.3523815688770398
Energy: 1.2276456081687157
Energy: 1.2267847359115838
Energy: 1.263630707297213
Energy: 1.2370189518144696
Energy: 1.2395103318925826
Energy: 1.2094186976025378
Energy: 1.2180430076957336
Energy: 1.2350951224902675
Energy: 1.2428731458721678
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Energy: 1.2271733375495164
Energy: 1.226765919940105
Energy: 1.5090430382939277
Energy: 1.2200462939375232
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Energy: 1.2152044966517008
Energy: 1.2202944641652338
Energy: 1.210875315592325
Energy: 1.2588416792627686
Energy: 1.4049309730326545

minimum gb energy = 1.1493328170558985 eV
minimum distance =  2.21690130567201 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 2.0427739995227805
Energy: 1.6037168764223761
Energy: 1.577607939640026
Energy: 1.6008794242973705
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Energy: 1.5778585074987457
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Energy: 1.7633964741148564
Energy: 1.6311927201950236
Energy: 1.6717117219269981
Energy: 1.6126173830311803
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Energy: 1.3910900811292415
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Energy: 1.601384213870596
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Energy: 1.6667309417119316
Energy: 1.6675487658906014
Energy: 1.6795891842483728
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Energy: 1.603004433161507
Energy: 1.6032876079538452
Energy: 1.6026574883824165
Energy: 1.7454712665667642
Energy: 1.8997387754034585
Energy: 1.6015933889160479
Energy: 1.5689587555008169
Energy: 1.602698349177715
Energy: 1.6415223234430094
Energy: 1.5801512158218676
Energy: 1.5713607802145801
Energy: 1.6124722936153264
Energy: 1.6015493352685641
Energy: 1.6405399428072003
Energy: 1.5812149599569563
Energy: 1.571276009004785
Energy: 1.6127777068561675
Energy: 1.6025901865267718
Energy: 1.6043686216709914
Energy: 1.6016788886162814
Energy: 1.497719519317101
Energy: 1.495950750336161
Energy: 1.6005670789857789
Energy: 1.605098685118999
Energy: 1.6015099795029313
Energy: 1.4956132172672891
Energy: 1.4952096905897336
Energy: 1.6004342408203107

minimum gb energy = 1.3910900811292415 eV
minimum distance =  2.28574145342836 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 2.3512578885018107
Energy: 1.7358624206206679
Energy: 1.6961981327555173
Energy: 1.5961749229646611
Energy: 1.8324860726390675
Energy: 2.3520450659099805
Energy: 1.6892680484847986
Energy: 1.6513144697261875
Energy: 1.593878905465629
Energy: 1.8239735745376684
Energy: 1.7531661720560558
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Energy: 1.8181812493232339
Energy: 1.7827152412236185
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Energy: 1.5928796980567113
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Energy: 1.5909080181470046
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Energy: 1.7878626144713776
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Energy: 1.830993554169052
Energy: 1.7331242131406615
Energy: 1.7844447470940956
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Energy: 1.6492003974924052
Energy: 1.7748280671678194
Energy: 1.7321099128025021
Energy: 1.8012932319445094
Energy: 1.8436135904719038
Energy: 1.8089935688927505
Energy: 1.739602438775404
Energy: 1.5889879449262432
Energy: 1.5972785948459909
Energy: 1.593069759200763
Energy: 1.808441743389201
Energy: 1.7423198303186511
Energy: 1.8820574202416092
Energy: 1.5970737020300305
Energy: 1.5907877513727886
Energy: 1.8115665653648934
Energy: 1.7316212392264765
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minimum gb energy = 1.5824971724544215 eV
minimum distance =  2.23261202389791 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.6160873144661025
Energy: 1.6462624405993298
Energy: 1.6467444706047358
Energy: 1.7631438116113363
Energy: 2.2072349195671883
Energy: 1.8519375296162828
Energy: 1.6404519092389203
Energy: 1.633153562920712
Energy: 1.7373767007012424
Energy: 2.207582209062173
Energy: 1.7352745753067995
Energy: 1.6138455287222313
Energy: 1.6488336344396957
Energy: 1.7612752211773757
Energy: 1.63757705226148
Energy: 1.6878258045776495
Energy: 1.6452425424094963
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Energy: 1.6534142841907653
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Energy: 1.6444045493806765
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Energy: 1.6251211473572091
Energy: 1.6093097137862526
Energy: 1.641929989268792
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Energy: 1.6701069597943459
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Energy: 1.61765307818589
Energy: 1.6105984548533516
Energy: 1.8018350326574841
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Energy: 1.614468629226353
Energy: 1.6298955701504847
Energy: 1.7113592830272553
Energy: 1.841923036286463
Energy: 1.699296097800908
Energy: 1.62045682812853
Energy: 1.6919067000556482
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Energy: 1.8460615705684238
Energy: 1.6989305554777563
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Energy: 1.6202586425021448
Energy: 1.6432858843394333
Energy: 1.9251259889642511
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Energy: 1.6969357991298215
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Energy: 1.754031279412069
Energy: 1.7228174528052282
Energy: 1.7517698809054605
Energy: 1.9118429238774899
Energy: 1.6003936680131101
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Energy: 1.6606679628420737
Energy: 1.646154989400287
Energy: 1.6005493331323577
Energy: 1.5804796101286887
Energy: 1.7396367878999233
Energy: 1.661212972695203
Energy: 1.6466794981936528
Energy: 1.6684434289229184
Energy: 2.1193444244900017
Energy: 2.249574196756668
Energy: 1.6276298374932712
Energy: 1.6476239555843166
Energy: 1.6599726721956545
Energy: 2.114567207742628
Energy: 1.5705447476634267
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Energy: 1.6175585978765639
Energy: 1.896275995626448
Energy: 1.752627261149935
Energy: 1.7207379047160725
Energy: 1.7277104487888644
Energy: 1.898744341293016
Energy: 1.8984856360109572
Energy: 1.734091833400664
Energy: 1.6829326193492127
Energy: 1.6653729038569232
Energy: 1.7516392428150585
Energy: 1.6195762294513876
Energy: 1.7482681122442814
Energy: 2.1196041182393
Energy: 1.6599218650374985
Energy: 1.66083496913289
Energy: 1.8976698625937347
Energy: 1.7478020118039446
Energy: 2.119465399651518
Energy: 1.746361543087432
Energy: 1.611450596057663
Energy: 1.6324646001925187
Energy: 1.7764700634205897
Energy: 1.9210753787820467
Energy: 1.6162039733967526
Energy: 1.61178082119229
Energy: 1.8014095421211174
Energy: 1.715118745963515
Energy: 1.6253171731781257
Energy: 1.618008219479498
Energy: 1.6116556908088886
Energy: 1.634180364851831
Energy: 1.8213638916277588
Energy: 1.8093948562357147
Energy: 1.6186606465633757
Energy: 1.6147600170175873
Energy: 1.6345864838006008
Energy: 1.822433269296417
Energy: 1.7633940868899414
Energy: 1.6336063237169072
Energy: 1.7036553275831616
Energy: 1.7187668724545733
Energy: 1.8453721588428842
Energy: 1.7678204932577828
Energy: 1.6148877061564242
Energy: 1.714347740536107
Energy: 1.6930715235524605
Energy: 1.8402056859856721
Energy: 1.7676038111192056
Energy: 1.6602172251594192
Energy: 1.6181833940251544
Energy: 1.6190714138364446
Energy: 1.6733808672635406
Energy: 1.9415141640489066
Energy: 1.6363716010952598
Energy: 1.6184087084478533
Energy: 1.6175946233215006
Energy: 1.6673112730771276
Energy: 1.8435838503307553
Energy: 1.6389744094120797
Energy: 1.713548411686855
Energy: 1.6207220895320074
Energy: 1.6418404614157658
Energy: 1.9418833944876657
Energy: 1.6011697448370228
Energy: 1.7249750003504183
Energy: 1.6293677762390055
Energy: 1.6347788351197745
Energy: 1.958618869148543
Energy: 2.0589243939755133
Energy: 1.700939418474638
Energy: 1.6338740681144446
Energy: 1.6034741619615511
Energy: 1.6614161083798347
Energy: 2.1164131767501444
Energy: 1.6131340037549005
Energy: 1.8973872035353554
Energy: 1.6170897714949948
Energy: 1.6132905796748576

minimum gb energy = 1.5705447476634267 eV
minimum distance =  2.23099760197718 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.4121379065220085
Energy: 1.4179232667497041
Energy: 1.594180492840299
Energy: 1.7544876119976531
Energy: 1.4177134029521805
Energy: 1.413454226362952
Energy: 1.4486974675099535
Energy: 1.5944467137470413
Energy: 1.7549136053188168
Energy: 1.417287263775064
Energy: 1.4530312529413518
Energy: 1.4474119564868044
Energy: 1.4446938618338894
Energy: 1.441126267477008
Energy: 1.4501186659328762
Energy: 1.5432896810771002
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Energy: 1.4164733257032482
Energy: 1.7527202316011923
Energy: 1.449034621120193
Energy: 1.4502329167996597
Energy: 1.754314604951042
Energy: 1.4469720722407409
Energy: 1.4551432470450862
Energy: 1.5424282846962092
Energy: 1.4502063912977523
Energy: 1.7526989125505972
Energy: 1.4469401454857307
Energy: 1.5955804199468533
Energy: 1.6007628560118414
Energy: 1.5985458595197202
Energy: 1.4151864086023507
Energy: 1.4168633247246665
Energy: 1.4504452520415085
Energy: 1.6007557802323416
Energy: 1.5968960982123013
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Energy: 1.4170184307501221
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Energy: 1.4219130869745444
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Energy: 1.4151414382311513
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Energy: 1.4482124084335362
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Energy: 1.4169704923339599
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Energy: 1.5953598289976059
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Energy: 1.4495957585818502
Energy: 1.471468953468641
Energy: 1.5973899248302594
Energy: 1.423104344747731
Energy: 1.4497042188039582
Energy: 1.4469301311289797
Energy: 1.447785725142014
Energy: 1.597823460774457
Energy: 1.4233242005058733
Energy: 1.4491494346298737
Energy: 1.4478070203510496
Energy: 1.4468343239257022
Energy: 1.4497925145921204
Energy: 1.5416361423016638
Energy: 1.4493348003383713
Energy: 1.414786963015962
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Energy: 1.8553480734119756
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Energy: 1.414190631796413
Energy: 1.4170580446060033
Energy: 1.4471397861716635
Energy: 1.4170338117336578
Energy: 1.443403976039874
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Energy: 1.5446320344274693
Energy: 1.4469387097832673
Energy: 1.445395688089862
Energy: 1.444325027533769
Energy: 1.4158615342921874
Energy: 1.5458050877920186
Energy: 1.449288422288351
Energy: 1.4479607586635226
Energy: 1.8539712439110565
Energy: 1.5963336871478822
Energy: 1.755690983375389
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Energy: 1.4475977773060205
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Energy: 1.4156850796766456
Energy: 1.448535553542148
Energy: 1.560156480467747
Energy: 1.5975381755272586
Energy: 1.5440007433335836
Energy: 1.4160820448902987
Energy: 1.448901438482799
Energy: 1.422623477575402
Energy: 1.5972264778949232
Energy: 1.5429610422433737
Energy: 1.4124645780931293
Energy: 1.4481173643178717
Energy: 1.5938298804131081
Energy: 1.7544676890717439
Energy: 1.4177015735285556
Energy: 1.4127650647348624
Energy: 1.4486782977835853
Energy: 1.593197732347322
Energy: 1.7547566016107532
Energy: 1.417340887881406
Energy: 1.543975767601419
Energy: 1.447602690349453
Energy: 1.444217653705363
Energy: 1.441030170228325
Energy: 1.450595801262856
Energy: 1.5434438573066465
Energy: 1.4468180023023767
Energy: 1.4178149258102828
Energy: 1.44393345320122
Energy: 1.4501133680327596
Energy: 1.4516592739651117
Energy: 1.7547524671738886
Energy: 1.4466881316565021
Energy: 1.5925946739554948
Energy: 1.5426304784146145
Energy: 1.4502769116120304
Energy: 1.7528903767833108
Energy: 1.4478914067784077
Energy: 1.594836871606282
Energy: 1.6005166774220412
Energy: 1.597824173950308
Energy: 1.415206764358988
Energy: 1.4169967378148218
Energy: 1.449126149796873
Energy: 1.6004460129905274
Energy: 1.5963570768294408
Energy: 1.4152284568200415
Energy: 1.4170954117979646
Energy: 1.450024440709359
Energy: 1.5431239114001452
Energy: 1.7565147437131574
Energy: 1.4172484982232048
Energy: 1.414875847285027
Energy: 1.4475642845655032
Energy: 1.4483468827505777
Energy: 1.7551967856029866
Energy: 1.417297466687721
Energy: 1.4154064337330527
Energy: 1.4470259147164566
Energy: 1.4474778141988702
Energy: 1.4473859032108687
Energy: 1.594918900116393
Energy: 1.4485613736183316
Energy: 1.446777838058353
Energy: 1.415919765688805
Energy: 1.7540304999486371
Energy: 1.5932186612527335
Energy: 1.7554014874885513
Energy: 1.4489242569147627
Energy: 1.471705355461469
Energy: 1.5971860635867474
Energy: 1.4240552349181963
Energy: 1.4506318713199893
Energy: 1.4483572185552305
Energy: 1.5421835932378407
Energy: 1.5974453902753503
Energy: 1.4233024035549804
Energy: 1.4493016021536673
Energy: 1.4479022490785147
Energy: 1.4465460903229725
Energy: 1.449423019758085
Energy: 1.5419767854064623
Energy: 1.4485247556817622
Energy: 1.4150177753582285
Energy: 1.4166688681691084
Energy: 1.556658444992746
Energy: 1.8545760687576756
Energy: 1.448130151776253
Energy: 1.4142068953756133
Energy: 1.417157247543315
Energy: 1.4474212666678057
Energy: 1.4168675250631668
Energy: 1.4449264005755509
Energy: 1.4166830830376536
Energy: 1.5446011338965728
Energy: 1.4469580800612973
Energy: 1.4411971102094918
Energy: 1.444852883534878
Energy: 1.4159272165693069
Energy: 1.4480173305235322
Energy: 1.4492819754602322
Energy: 1.4477391761005822
Energy: 1.8545176392305582
Energy: 1.5962921902924045
Energy: 1.7558912751030202
Energy: 1.4490638374484963
Energy: 1.4478224375527786
Energy: 1.8543539233298454
Energy: 1.449335995917702
Energy: 1.755503371784961
Energy: 1.4156573093881186
Energy: 1.4489325481879087
Energy: 1.5607022751459683
Energy: 1.5986371972973732
Energy: 1.544210537824166
Energy: 1.4158578143641367
Energy: 1.4496151196045466
Energy: 1.4223422372476318
Energy: 1.598158147883159
Energy: 1.5442243453908453

minimum gb energy = 1.4121379065220085 eV
minimum distance =  2.27956619951279 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.554457778546607
Energy: 1.5972326134638137
Energy: 1.6556525122313268
Energy: 1.585447819895807
Energy: 1.5455570900104776
Energy: 1.5440629320133825
Energy: 1.629256005009441
Energy: 1.665072947272249
Energy: 1.5508020236602567
Energy: 1.759343424967799
Energy: 1.5600228605740467
Energy: 1.6626454906288057
Energy: 1.5850256170660364
Energy: 1.5851540530752724
Energy: 1.6854163756677736
Energy: 1.553557051017585
Energy: 1.7050005326153617
Energy: 1.5845058051213998
Energy: 1.7439976836072926
Energy: 1.5934866580623812
Energy: 1.7171876887251292
Energy: 1.797741073026176
Energy: 1.6316404246143867
Energy: 1.6662761555661987
Energy: 1.7336314776077826
Energy: 1.7655849684564666
Energy: 1.7190248200992782
Energy: 1.549306261418179
Energy: 1.6490804763756894
Energy: 1.7140769636557573
Energy: 1.7174105887733846
Energy: 1.6491064346377715
Energy: 1.9194139216480048
Energy: 1.7407871700605666
Energy: 1.7347806155419252
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Energy: 1.7601966678460992
Energy: 1.6226135327125792
Energy: 1.716372034741924
Energy: 1.7134624427367353
Energy: 1.7376754334211606
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Energy: 1.9773805720072108
Energy: 1.5702470029841529
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Energy: 1.7165640013193457
Energy: 1.7132225494075433
Energy: 1.7683169976909232
Energy: 1.560122007987039
Energy: 1.7555653021753719
Energy: 1.780649353882204
Energy: 1.5597909823956215
Energy: 1.5605233862430141
Energy: 1.7987248995708276
Energy: 1.9241003205761527
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Energy: 1.6416639940780438
Energy: 1.8388279086250703
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Energy: 1.5578102815233694
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Energy: 1.739581251635353
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Energy: 1.5887165355452801
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Energy: 1.5623734401723288
Energy: 1.9811021194294811
Energy: 1.6622936679517193
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Energy: 1.8020362540890322
Energy: 1.9802337450652057
Energy: 1.6688672780914278
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Energy: 1.6531171238540179
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Energy: 1.8091818766763126
Energy: 1.666893678945495
Energy: 1.6657517618133304
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Energy: 1.750374481366311
Energy: 1.6202859769104803
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Energy: 1.5701852454148826
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Energy: 1.6208401277994424
Energy: 1.586502655751881
Energy: 1.5807119908327012
Energy: 1.5810380492008882
Energy: 1.5893345111081787
Energy: 1.6048201910150763
Energy: 1.5907602410628174
Energy: 1.5688434385348093
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Energy: 1.5573269364954871
Energy: 1.6536570205527328
Energy: 1.5895479642343755
Energy: 1.5810846175801672
Energy: 1.5804221458371537
Energy: 1.7301103327516067
Energy: 1.825476499187165
Energy: 1.5636669776586034
Energy: 1.5523118297971668
Energy: 1.6748349666408455
Energy: 1.7312025156262612
Energy: 1.7407369516478686
Energy: 1.5414272432018645
Energy: 1.5422166142971392
Energy: 1.650198877684395
Energy: 1.719139630250612
Energy: 1.864325543089437
Energy: 1.6864393131808577
Energy: 1.5801416318763706
Energy: 1.6334614321916292
Energy: 1.6943445539626294
Energy: 1.6010302804196879
Energy: 1.551323193071585
Energy: 1.542458273631841
Energy: 1.6163573356451149
Energy: 1.588688579743347
Energy: 1.689764110848578
Energy: 1.7999947431936159
Energy: 1.855236238133899
Energy: 1.6326407251012542
Energy: 1.5895493197290649
Energy: 1.6350328774911183
Energy: 1.5299312333318245
Energy: 1.7538629254179756
Energy: 1.6335392273464309
Energy: 1.5793527721097989
Energy: 1.7065373695121437
Energy: 1.7293858083982732
Energy: 1.7071030162675667
Energy: 1.7818501713371455
Energy: 1.6054424530548432
Energy: 1.739130160238746
Energy: 1.744487180612985
Energy: 1.7062789751204928
Energy: 1.7407640917801377
Energy: 1.9046021874872352
Energy: 1.7307071798093314
Energy: 1.7257612838527205
Energy: 1.7304131531823388
Energy: 1.7107140350742491
Energy: 1.8863092444348595
Energy: 1.7399890461719183
Energy: 1.7413880847357401
Energy: 1.7484454136275418
Energy: 1.7140811952946997
Energy: 1.7937575102302552
Energy: 1.803016124862687
Energy: 1.9040118491237477
Energy: 1.777846692840922
Energy: 1.7711551938201502
Energy: 1.7335620915325258
Energy: 1.786860390340172
Energy: 1.7603193432601052
Energy: 1.873697634672049
Energy: 1.7698202953199262
Energy: 1.9002827609843727
Energy: 1.8128828232023666
Energy: 1.8420769430925914
Energy: 1.6602578261492844
Energy: 1.5862369208429279
Energy: 1.9533311756146308
Energy: 1.8127463956234104
Energy: 1.8420380719284595
Energy: 1.5619929267660373
Energy: 1.5716031398149672
Energy: 1.646951287686275
Energy: 1.8255884143843903
Energy: 1.5925333481695032
Energy: 1.5718903138025413
Energy: 1.5640780645965155
Energy: 1.6504162381838372
Energy: 1.5861567986941807
Energy: 1.5649194892043237
Energy: 1.568776333628148
Energy: 1.5780004477514267
Energy: 1.5655518824943786
Energy: 1.66159608768084
Energy: 1.7122324620027858
Energy: 1.5624901604680954
Energy: 1.5633857622542882
Energy: 1.630167597097658
Energy: 1.6622810699362056
Energy: 1.7127109874496937
Energy: 1.5621489929179504
Energy: 1.5640857734303089
Energy: 1.6801385680241734
Energy: 1.6815251796321262
Energy: 1.5794877699834842
Energy: 1.620648360018734
Energy: 1.5512649498276487
Energy: 1.713712862208562
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Energy: 1.7905711444125056
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Energy: 1.5609516638192387
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Energy: 1.8094760748704422
Energy: 1.704897772731608
Energy: 1.5830681464053797
Energy: 1.5820060982981503
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Energy: 1.7066090702914694
Energy: 1.6582194010050344
Energy: 1.5834914385389915
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Energy: 1.7323782870891447
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Energy: 1.734903572030736
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Energy: 1.7133503584999492
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Energy: 1.6330318940480801
Energy: 1.7423991010174442
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Energy: 1.5838723047558199
Energy: 1.6329896545779832
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Energy: 1.7530630236912483
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Energy: 1.5989766741506137
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Energy: 1.7380703869101617
Energy: 1.7409186363249936
Energy: 1.8277005959816652
Energy: 1.5408821613722772
Energy: 1.7416472308016346
Energy: 1.7373781618671844
Energy: 1.741232058434012
Energy: 1.8290675937175895
Energy: 1.6894137746452804
Energy: 1.7399629906439646
Energy: 1.7373653051039515
Energy: 1.7812249684971153
Energy: 1.7121997188881692
Energy: 1.9839341619438355
Energy: 1.5621818648912118
Energy: 1.7873259866269693
Energy: 1.7669541975215546
Energy: 1.660147174827057
Energy: 1.9851539214880254
Energy: 1.5630326045993088
Energy: 1.6837177201621503
Energy: 1.7812441676009774
Energy: 1.5622195560198238
Energy: 1.6438080531126151
Energy: 1.8821076779983938
Energy: 1.9203712253035752
Energy: 1.868242765012655
Energy: 1.5622790172581804
Energy: 1.6441695923479749
Energy: 1.7434161008441886
Energy: 1.9198740583560256
Energy: 1.5639889052595686
Energy: 1.5611439018281166
Energy: 1.644203497015811
Energy: 1.667184517097543
Energy: 1.8051679840631296
Energy: 1.562916949634302
Energy: 1.561995476475145
Energy: 1.6437014097781932
Energy: 1.8072752473391622
Energy: 1.8065715555408974
Energy: 1.5653360318632439
Energy: 1.5625963778400178
Energy: 1.5732968851387612
Energy: 1.6287293312371602
Energy: 1.6680904205028644
Energy: 1.5637713497852885
Energy: 1.5616102244956511
Energy: 1.5712148681577789
Energy: 1.6340790991586818
Energy: 1.6969567796570435
Energy: 1.7140890048277804
Energy: 1.595532146475492
Energy: 1.7600940085851235
Energy: 1.6625977911824983
Energy: 1.6865414937626162
Energy: 1.7028291865944227
Energy: 1.6237601948898441
Energy: 1.7080256255718924
Energy: 1.662038542700102
Energy: 1.7095808392867702
Energy: 1.5518959971988269
Energy: 1.9161054941928293
Energy: 1.6025545246966464
Energy: 1.5819128997464553
Energy: 1.5821811574295803
Energy: 1.6237206608602985
Energy: 1.9129639896968205
Energy: 1.5729658202101702
Energy: 1.5706693477702955
Energy: 1.572108397786258
Energy: 1.6883094519554498
Energy: 1.6418795894451397
Energy: 1.5870304612219224
Energy: 1.5847554681430274
Energy: 1.5807718955870693
Energy: 1.8388385901619453
Energy: 1.6363083546402537
Energy: 1.5918026337572908
Energy: 1.5677025946709244
Energy: 1.5722497895478578
Energy: 1.7302802662414956
Energy: 1.7346423676423908
Energy: 1.5421795469368156
Energy: 1.5427643888320854
Energy: 1.8246097082318185
Energy: 1.7311821049661689
Energy: 1.8765899390187792
Energy: 1.563646240522749
Energy: 1.551366412943297
Energy: 1.8240523290832384
Energy: 1.5827895386442707
Energy: 1.547559448946908
Energy: 1.7679489885694093
Energy: 1.5426839124248082
Energy: 1.6332694948453257
Energy: 1.6408972849920889
Energy: 1.57696227563052
Energy: 1.979427263040286
Energy: 1.5816249240219522
Energy: 1.6329387457035918
Energy: 1.583550025062597
Energy: 1.6352189897325689
Energy: 1.8893044149377172
Energy: 1.7117935809087637
Energy: 1.6158149843346292
Energy: 1.5840483825883032
Energy: 1.6358231464425914
Energy: 1.651924246290767
Energy: 1.731388359378298
Energy: 1.6430106689018633
Energy: 1.6480866329712154
Energy: 1.6705090112851173
Energy: 1.7437595584761267
Energy: 1.6907348726898044
Energy: 1.714588563070414
Energy: 1.6230234014030003
Energy: 1.6628045639687876
Energy: 1.730023655656578
Energy: 1.7078997175164514
Energy: 1.7181108247665198
Energy: 1.9028546649686446
Energy: 1.74017534162758
Energy: 1.7359414811029035
Energy: 1.7476129654668644
Energy: 1.7513777227548843
Energy: 1.7304785510129603
Energy: 1.729473193671174
Energy: 1.7269052252283188
Energy: 1.7799532225375831
Energy: 1.7214350006756325
Energy: 1.814990448882814
Energy: 1.6666820685085317
Energy: 1.8119213745296072
Energy: 1.789073094559514
Energy: 2.2344339568048284
Energy: 1.820242282141542
Energy: 1.6216790449600482
Energy: 1.8593655989402296
Energy: 1.8499777448117334
Energy: 2.233568261666473
Energy: 1.8811726035261485
Energy: 1.8430184030601084
Energy: 1.8168451406229145
Energy: 1.748586953400245
Energy: 1.6512905654847148
Energy: 1.8434524967654946
Energy: 1.8129458625880124
Energy: 1.8124273340073607
Energy: 1.7120765067489632
Energy: 1.562734225417609
Energy: 1.6445775093009058
Energy: 1.7302831778422445
Energy: 1.563679287804425
Energy: 1.567363133120731
Energy: 1.5628185719444883
Energy: 1.6484824703120144
Energy: 1.7587098465130249
Energy: 1.5634410201822768
Energy: 1.5657584462807048
Energy: 1.5865752549134393
Energy: 1.5888079437714937
Energy: 1.6621771394134028
Energy: 1.7185270883434025
Energy: 1.5609984972607098
Energy: 1.5617903304545189
Energy: 1.5868519071336846
Energy: 1.6632532670660722
Energy: 1.6342836887690635
Energy: 1.5599323390741777
Energy: 1.5623336415170141
Energy: 1.7509248253968117
Energy: 1.6322434109550676
Energy: 1.5903163102411624
Energy: 1.5693549602552441
Energy: 1.6953112238804893
Energy: 1.6685776531808325
Energy: 1.62899017485585
Energy: 1.563816243397356
Energy: 1.6204724526402559
Energy: 1.7587466891173378
Energy: 1.5591120679060888
Energy: 1.5592665171899494
Energy: 1.7709689928651982
Energy: 1.8093673121832594
Energy: 1.552572466514709
Energy: 1.5386766316985003
Energy: 1.578182683284807
Energy: 1.8227666528204618
Energy: 1.9214562320094586
Energy: 1.5512748986975031
Energy: 1.560035103600721
Energy: 1.5589711951459675
Energy: 1.5601152692469915
Energy: 1.6543231910913963
Energy: 1.5958182814646587
Energy: 1.5842688181957847
Energy: 1.5805879158886562
Energy: 1.5787492018695164
Energy: 1.6552194099950746
Energy: 1.5845300507206577
Energy: 1.5978203905430235
Energy: 1.8187560134829932
Energy: 1.7318611953730914
Energy: 1.7316975107809078
Energy: 1.717055863294202
Energy: 1.6123744869117462
Energy: 1.8860289363314542
Energy: 1.7314469612771133
Energy: 1.6283927128394085
Energy: 1.7035016933246874
Energy: 1.6183690676848979
Energy: 1.7389791979250995
Energy: 1.6301934850867308
Energy: 1.6131721376057642
Energy: 1.5266694519952535
Energy: 1.5489259224003282
Energy: 1.6943270216809556
Energy: 1.7328516396962075
Energy: 1.5748121916400908
Energy: 1.5966867262658797

minimum gb energy = 1.5266694519952535 eV
minimum distance =  2.24441307322366 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.002086001166336
Energy: 1.525913945577553
Energy: 1.9520303064194802
Energy: 1.8364177501130856
Energy: 1.4903176738912731
Energy: 2.0014140984953963
Energy: 1.6354127908539786
Energy: 1.8233312230836973
Energy: 1.8870940918558978
Energy: 1.7053082856529642
Energy: 1.4899300852279762
Energy: 1.855625761471093
Energy: 1.7126267865355707
Energy: 1.7117908310897765
Energy: 1.6667099463677333
Energy: 1.6721354647551119
Energy: 1.8898215159247944
Energy: 1.7117942221550446
Energy: 1.9097868608497914
Energy: 1.5922141106142373
Energy: 1.6462658075905041
Energy: 1.7025885576050983
Energy: 1.7034893013825618
Energy: 1.588877912757554
Energy: 1.6010414844969334
Energy: 1.654545396067062
Energy: 1.701981953695416
Energy: 1.7027226222752783
Energy: 1.5881252454415589
Energy: 1.6014134636937174
Energy: 1.5857452292497318
Energy: 1.5898784404261979
Energy: 1.6993855359901762
Energy: 1.6104761183031013
Energy: 1.60196936420466
Energy: 1.5875381172901748
Energy: 1.5810867234314403
Energy: 1.699795912958996
Energy: 1.6075358783367555
Energy: 1.601281630392725
Energy: 1.606612394155513
Energy: 1.9094441549748555
Energy: 1.8385221810482608
Energy: 1.5853614849209519
Energy: 1.6925842150058465
Energy: 1.5737101063471364
Energy: 1.9089196079118487
Energy: 1.507287421796742
Energy: 1.5850003932296552
Energy: 1.4961768031524567
Energy: 1.6360337592857486
Energy: 1.582283563991628
Energy: 1.4979479734681789
Energy: 1.5730462190484544
Energy: 2.0052261120125237
Energy: 1.717290591161818
Energy: 1.580092067336455
Energy: 1.497637025871753
Energy: 1.5772006512688674
Energy: 2.0058189959753316
Energy: 1.679762584396432
Energy: 1.6469453457232102
Energy: 1.6063543834557188
Energy: 1.6070644812749342
Energy: 1.7319856838144094
Energy: 1.6797933887143504
Energy: 1.641789379450066
Energy: 1.603172914137202
Energy: 1.6066342665382438
Energy: 1.7328439031182077
Energy: 1.700232141602089
Energy: 1.6061393275381515
Energy: 1.5797372811122488
Energy: 1.8616226534878992
Energy: 1.9366844998833659
Energy: 1.7022993426265134
Energy: 1.605078070478205
Energy: 1.580534979991875
Energy: 1.8643825347174705
Energy: 1.8905742323703014
Energy: 1.5867200431792743
Energy: 1.8579505179174147
Energy: 1.5064821312004315
Energy: 1.865868507588987
Energy: 1.5880860857992465
Energy: 1.7439946851754025
Energy: 1.857967124778103
Energy: 1.5077088577957496
Energy: 1.7594845336802813
Energy: 1.5855799609289647
Energy: 1.5075466677428553
Energy: 1.8573293553384436
Energy: 1.5061724818047348
Energy: 1.4887138343899515
Energy: 1.660265684559472
Energy: 1.6002371337363168
Energy: 1.85626699908187
Energy: 1.5070300647036594
Energy: 1.4889098822650633
Energy: 1.5087914894048842
Energy: 1.502092800470009
Energy: 1.4992594704066462
Energy: 1.50737705565242
Energy: 2.0155154607201475
Energy: 1.4995003430146296
Energy: 1.5006843833651609
Energy: 1.4979139406509516
Energy: 1.6667173599179401
Energy: 2.0127499884987192
Energy: 1.5826727587505844
Energy: 1.5063176664809517
Energy: 1.5106043681039052
Energy: 1.5000959605032465
Energy: 1.8180288473886272
Energy: 1.5058835062679692
Energy: 1.5029724962750133
Energy: 1.5008320884120785
Energy: 1.507203550092459
Energy: 1.6414538835829933
Energy: 1.5029936124707384
Energy: 1.5015463126880353
Energy: 1.5062302503381497
Energy: 1.8577820379556398
Energy: 1.8580933892186615
Energy: 1.5070891023625783
Energy: 1.502951623991799
Energy: 1.5801812372727797
Energy: 1.860907874865504
Energy: 1.941105782743624
Energy: 1.5077037532213498
Energy: 1.7142114487575533
Energy: 1.5017486709454306
Energy: 1.7977367968813758
Energy: 1.5011796260241108
Energy: 1.4949451861036585
Energy: 1.714332526837504
Energy: 1.5027983149210828
Energy: 1.7914921733403046
Energy: 1.5020514136985599
Energy: 1.4883527179145413

minimum gb energy = 1.4883527179145413 eV
minimum distance =  2.22000618806472 Angstroms
sigma value = 33