Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_003
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=3.52732940018177
cohesive_energy=4.194297203762934
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.019299566507635448
Energy: 0.5891210801582787
Energy: 0.5891210801582787
Energy: 0.01929956650611719
Energy: 0.5891210801582787
Energy: 0.5891210801582787
Energy: 0.01929956650611719
Energy: 0.5891210801582787
Energy: 0.5891210801582787
Energy: 0.019299566507635448
Energy: 0.5841209595947142
Energy: 0.02384640734058258
Energy: 0.5836874574974972
Energy: 0.5841209595947142
Energy: 0.02384640734058258
Energy: 0.5836874574974972
Energy: 0.5841209595947142
Energy: 0.02384640734210084
Energy: 0.5836874574990154
Energy: 0.5841209595961979
Energy: 2.01841652473349
Energy: 0.02073633226612461
Energy: 0.02073633226612461
Energy: 2.370777448544159
Energy: 0.02073633226764287
Energy: 0.02073633226612461
Energy: 3.3991694443517577
Energy: 0.02073633226460635
Energy: 0.9749884632007421
Energy: 2.484188163445681
Energy: 0.5841209595947142
Energy: 0.5836874574974972
Energy: 0.02384640734210084
Energy: 0.5841209595977164
Energy: 0.5836874574990154
Energy: 0.02384640734058258
Energy: 0.5841209595947142
Energy: 0.5836874574974972
Energy: 0.02384640734058258
Energy: 0.5841209595977164
Energy: 0.019299566507635448
Energy: 0.5891210801582787
Energy: 0.5891210801582787
Energy: 0.01929956650611719
Energy: 0.5891210801582787
Energy: 0.5891210801582787
Energy: 0.01929956650611719
Energy: 0.5891210801582787
Energy: 0.5891210801582787
Energy: 0.01929956650611719
Energy: 0.5841209595947142
Energy: 0.02384640734058258
Energy: 0.5836874574990154
Energy: 0.5841209595961979
Energy: 0.02384640734058258
Energy: 0.5836874574974972
Energy: 0.5841209595947142
Energy: 0.02384640734058258
Energy: 0.5836874574974972
Energy: 0.5841209595977164
Energy: 1.89239499725731
Energy: 0.02073633226612461
Energy: 0.02073633226764287
Energy: 2.370777543056337
Energy: 0.02073633226612461
Energy: 0.02073633226460635
Energy: 3.3991694443578306
Energy: 0.02073633226612461
Energy: 0.9749884632022603
Energy: 2.9501720332712376

minimum gb energy = 0.01929956650611719 eV
minimum distance =  2.22812298618097 Angstroms
sigma value = 3


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

Energy: 1.4859041834581868
Energy: 1.6336455660215161
Energy: 1.6334711235842858
Energy: 1.2657371358788887
Energy: 1.6336455660222602
Energy: 1.6334711235809727
Energy: 1.4859041834574434
Energy: 1.6336455660274667
Energy: 1.6334711235854353
Energy: 1.2657371358580625
Energy: 1.4190604536094698
Energy: 1.4178668588998244
Energy: 1.5914750785367013
Energy: 1.419060453606089
Energy: 1.4178668588987426
Energy: 1.5914750785448832
Energy: 1.4190604536035194
Energy: 1.4178668588983367
Energy: 1.5914750785337264
Energy: 1.4190604536090639
Energy: 1.2531730915518398
Energy: 1.6153939490293794
Energy: 1.591018458217396
Energy: 1.2823558850902907
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Energy: 1.2531730914581218
Energy: 1.6153939490286358
Energy: 1.5910184602864224
Energy: 1.2823558850954972
Energy: 1.6340492362488532
Energy: 1.632924874369358
Energy: 1.2661298755799637
Energy: 1.6340492362455399
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Energy: 1.6340492362395895
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Energy: 1.6340492362443904
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Energy: 1.6367533289159795
Energy: 1.264013845349006
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Energy: 1.634257344015313
Energy: 1.2668800001026554
Energy: 1.63318377322668
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Energy: 1.266880000101168
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Energy: 1.4271019875998365
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Energy: 1.5917559561789476
Energy: 1.4273781637281384
Energy: 1.5910251323257307
Energy: 1.2660501131180393
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Energy: 1.6339116944096541
Energy: 1.4736671572115427
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Energy: 1.5961767935798552
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Energy: 1.684810862581641
Energy: 1.4156248490308165
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Energy: 1.4156249076134293
Energy: 1.6331163699115083
Energy: 1.2658319180622366
Energy: 1.6326687149255477
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Energy: 1.6326687149177717
Energy: 1.6331163699096827
Energy: 1.2658319180677813
Energy: 1.6326687149218289
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Energy: 1.5917510398551025
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Energy: 1.4170694449971888
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Energy: 1.6018136522439295
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Energy: 1.6018136522405484
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Energy: 1.5917510398517893
Energy: 1.519164639380692
Energy: 1.536083187235731
Energy: 1.635311923515361
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Energy: 1.6353119235023785
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Energy: 1.5360831872297809
Energy: 1.635311923511642
Energy: 1.5191646393765674
Energy: 1.4739136706232492
Energy: 1.6335519764753672
Energy: 1.6339205311508969
Energy: 1.2663966368473911
Energy: 1.6335519764775988
Energy: 1.6339205311508969
Energy: 1.4739136706225056
Energy: 1.633551976476855
Energy: 1.6339205311527905
Energy: 1.266396636840359
Energy: 1.5910854439824813
Energy: 1.4270083601843968
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Energy: 1.4270083601787846
Energy: 1.5913513464895097
Energy: 1.5910854439873499
Energy: 1.4270083601851409
Energy: 1.5913513464957982
Energy: 1.591085443987688
Energy: 1.6339414053857733
Energy: 1.6332400551786461
Energy: 1.2661511697905
Energy: 1.6339414053902361
Energy: 1.6332400551808777
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Energy: 1.6339414053839474
Energy: 1.633240055168977
Energy: 1.2661511697897558
Energy: 1.633941405389898
Energy: 1.6368932217757908
Energy: 1.4307425739993713
Energy: 1.2629886183085446
Energy: 1.6368932217768726
Energy: 1.4307425739886201
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Energy: 1.636893221776129
Energy: 1.4307425740023463
Energy: 1.262988618307057
Energy: 1.63689322177241
Energy: 1.2138460849131067
Energy: 1.5907499947700836
Energy: 1.591633206380762
Energy: 1.2138460849153379
Energy: 1.590749994767514
Energy: 1.5916332063822496
Energy: 1.2138460849171637
Energy: 1.5907499947689343
Energy: 1.591633206384481
Energy: 1.2138460849153379
Energy: 1.6334865129708724
Energy: 1.2658343116842117
Energy: 1.63241095293989
Energy: 1.6334865129626905
Energy: 1.26583431168313
Energy: 1.6324109529461786
Energy: 1.633486512968235
Energy: 1.2658343116812367
Energy: 1.632410952940228
Energy: 1.633486512960121
Energy: 1.456014141658181
Energy: 1.50946407218944
Energy: 1.4180736502007685
Energy: 1.4560141416540564
Energy: 1.5094640721875465
Energy: 1.4180736502037434
Energy: 1.456014141651825
Energy: 1.509464072192415
Energy: 1.418073650202256
Energy: 1.4560141416529746
Energy: 1.5206972754050714
Energy: 1.5901350214191603
Energy: 1.4178474758332749
Energy: 1.5206972754016905
Energy: 1.5901350214143595
Energy: 1.4177330775151415
Energy: 1.5206972753994592
Energy: 1.5901350214161851
Energy: 1.4178474758362503
Energy: 1.5206972753976336
Energy: 1.2657371358621194
Energy: 1.633645566015904
Energy: 1.633471123589898
Energy: 1.485904183447774
Energy: 1.633645566014822
Energy: 1.633471123589898
Energy: 1.265737135856913
Energy: 1.633645566012185
Energy: 1.633471123593955
Energy: 1.485904183444055
Energy: 1.4190604536050069
Energy: 1.4178668589054366
Energy: 1.5914750785448832
Energy: 1.419060453612783
Energy: 1.4178668588998244
Energy: 1.5914750785471146
Energy: 1.4190604535993947
Energy: 1.4178668589039491
Energy: 1.591475078541164
Energy: 1.4190604536023699
Energy: 1.28235588509144
Energy: 1.6153939490241729
Energy: 1.5910184580534235
Energy: 1.2531730915172197
Energy: 1.6153939490431057
Energy: 1.5910184601414505
Energy: 1.2823558850936716
Energy: 1.6153939490326925
Energy: 1.5910184636119165
Energy: 1.2531730915681356
Energy: 1.6340492362481094
Energy: 1.6329248743742264
Energy: 1.2661298755747572
Energy: 1.6340492362466217
Energy: 1.6329248743697637
Energy: 1.266129875582939
Energy: 1.6340492362455399
Energy: 1.632924874373821
Energy: 1.2661298755784764
Energy: 1.6340492362458778

minimum gb energy = 1.2138460849131067 eV
minimum distance =  2.33418603578909 Angstroms
sigma value = 75


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

Energy: 1.9134048973984525
Energy: 1.5157724721522405
Energy: 1.5158399890428937
Energy: 1.667559554159494
Energy: 1.5157724721576842
Energy: 1.5158399890447083
Energy: 1.9134048973984525
Energy: 1.5157724721504258
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Energy: 1.6675595541540502
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Energy: 1.575371493382165
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Energy: 1.5753714934130143
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Energy: 1.7278141787071828
Energy: 1.879218941845103
Energy: 1.5863459240567466
Energy: 1.5169147605738444
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Energy: 1.8311435008268495
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Energy: 1.8751060010573335
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Energy: 1.7466992777710006
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minimum gb energy = 1.5153466260628485 eV
minimum distance =  2.19492690023636 Angstroms
sigma value = 105


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

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Energy: 1.7438062556551852
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Energy: 1.6979754454599454
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Energy: 1.754782961150575
Energy: 1.811967365180261
Energy: 1.7544765908827809
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Energy: 1.8743398809810454
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Energy: 1.6685073023604438
Energy: 1.7514549625071785
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Energy: 1.7562383812511806
Energy: 1.7904393751137688
Energy: 1.706161312616258
Energy: 1.8545979506742962
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Energy: 1.794955341147757
Energy: 1.790439375042116
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Energy: 1.6989231726154725
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Energy: 1.9014375398011647
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Energy: 1.6706446312319172
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Energy: 1.9014375397991545
Energy: 1.670644631238059
Energy: 1.6977561398417578
Energy: 1.6278601711989518
Energy: 1.7538075208006978
Energy: 1.754705326259206
Energy: 1.6278601711989518
Energy: 1.7538075207986505
Energy: 1.754705326259206
Energy: 1.627860171200962
Energy: 1.7538075208006978
Energy: 1.7547053262530643
Energy: 1.627860171203009
Energy: 1.6360459290455858
Energy: 1.6986406504121563
Energy: 1.679319365491035
Energy: 1.6360459290476332
Energy: 1.6985828707267636
Energy: 1.6793193654951293
Energy: 1.6360459290476332
Energy: 1.69864065040192
Energy: 1.6793193654971765
Energy: 1.6360459290517275
Energy: 1.9480027969529774
Energy: 1.6977655393508673
Energy: 1.7087978445705134
Energy: 1.9480027969632137
Energy: 1.6977608637098853
Energy: 1.708797844576655
Energy: 1.9480027969693179
Energy: 1.6977655393549618
Energy: 1.7087978445664191
Energy: 1.9480027969611666
Energy: 1.7056889165239542
Energy: 1.7061637041196989
Energy: 1.755167423422867
Energy: 1.7056889165280484
Energy: 1.7061637041258404
Energy: 1.7551674234310557
Energy: 1.7056889165321427
Energy: 1.7061637041237934
Energy: 1.7551674234310557
Energy: 1.7056889165321427
Energy: 1.6647914137932736
Energy: 1.90807012747549
Energy: 1.7544134867609804
Energy: 1.664791413791226
Energy: 1.9066188784656701
Energy: 1.7544134867609804
Energy: 1.6647914137932736
Energy: 1.9080701274836789
Energy: 1.754413486758933
Energy: 1.6647914137993778
Energy: 1.8780830190363826
Energy: 1.7303930316173837
Energy: 1.7634625916298552
Energy: 1.9048000062674069
Energy: 1.7303912186900547
Energy: 1.7634625916359967
Energy: 1.8202785095467608
Energy: 1.7303930316173837
Energy: 1.7634625916278075
Energy: 1.8202785095426666
Energy: 1.734523390563666
Energy: 1.6979473563070628
Energy: 1.7340614213558387
Energy: 1.734523390555477
Energy: 1.6979451675317134
Energy: 1.7340614213517445
Energy: 1.734523390555477
Energy: 1.697947356300921
Energy: 1.73406142134765
Energy: 1.734523390563666

minimum gb energy = 1.6133607494718514 eV
minimum distance =  2.29452177036988 Angstroms
sigma value = 165


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

Energy: 1.7681343444640847
Energy: 1.8130044880560485
Energy: 1.8129376304695168
Energy: 1.7681343444654907
Energy: 1.813004488054643
Energy: 1.8129376304737337
Energy: 1.768134344464788
Energy: 1.8130044880518315
Energy: 1.812937630468111
Energy: 1.7681343444612736
Energy: 1.8115066960403239
Energy: 1.7547319091792704
Energy: 1.869826181774015
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Energy: 1.7547319091708367
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Energy: 1.8115066960396211
Energy: 1.7944211408198583
Energy: 1.8487073059416723
Energy: 1.6916664904434444
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Energy: 1.848708984434151
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Energy: 1.8695526858043825
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Energy: 1.8832289014783516
Energy: 1.8131426449856611
Energy: 1.8582216017410493
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Energy: 1.8131426449849586
Energy: 1.7550662482761392
Energy: 1.8586805155010808
Energy: 1.9013072413763956
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Energy: 1.9013072413785042
Energy: 1.7550662482726251
Energy: 1.8586805155010808
Energy: 1.9013072413756928
Energy: 1.7550662482747335
Energy: 1.8701297273356754
Energy: 1.6919497355146498
Energy: 1.921377173152316
Energy: 1.8701297273034099
Energy: 1.691956696376642
Energy: 1.921377173153019
Energy: 1.8701297273412982
Energy: 1.6919519748895764
Energy: 1.921377173153019
Energy: 1.8701297273890898
Energy: 1.8664960569895666
Energy: 1.7553159613820533
Energy: 1.858676998337143
Energy: 1.8664960569888638
Energy: 1.755315961382756
Energy: 1.8586769983399543
Energy: 1.866496056988161
Energy: 1.7553159613771339
Energy: 1.858676998337846
Energy: 1.8664960569867552
Energy: 1.7944478766416991
Energy: 1.6917090110025523
Energy: 1.8487467016193435
Energy: 1.7944478766473215
Energy: 1.6917090598266362
Energy: 1.8487470041996024
Energy: 1.7944478766424017
Energy: 1.6917087683354302
Energy: 1.8487462680077305
Energy: 1.7944478766445102
Energy: 1.8117129454013574
Energy: 1.8699163961542022
Energy: 1.7543087151554104
Energy: 1.8117129454069798
Energy: 1.8699163961577163
Energy: 1.754308715156113
Energy: 1.8117129454013574
Energy: 1.8699163961563108
Energy: 1.7543087151582215
Energy: 1.8117129454069798
Energy: 1.7681343444612736
Energy: 1.8130044880560485
Energy: 1.8129376304688138
Energy: 1.7681343444640847
Energy: 1.8130044880567513
Energy: 1.812937630468111
Energy: 1.7681343444619764
Energy: 1.8130044880532372
Energy: 1.812937630464597
Energy: 1.768134344464788

minimum gb energy = 1.6916664900977862 eV
minimum distance =  2.27917401951152 Angstroms
sigma value = 41


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

Energy: 1.6688610980198844
Energy: 1.6963063874809465
Energy: 1.679109991529238
Energy: 1.6636907779885501
Energy: 1.6963063874809465
Energy: 1.6791099915265109
Energy: 1.6688610980089766
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Energy: 1.9871717753360927
Energy: 1.464990451226625
Energy: 1.63266767709093
Energy: 1.987171775333366
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Energy: 1.6326676770963837
Energy: 1.987171775327912
Energy: 1.464990451226625
Energy: 1.6326676771045643
Energy: 1.5701112767429068
Energy: 1.5346600056230222
Energy: 1.6140559036237947
Energy: 1.49660712111779
Energy: 1.5346600055058162
Energy: 1.614055903618341
Energy: 1.5701112767456338
Energy: 1.5346600055903
Energy: 1.614055903615614
Energy: 1.496607121123244
Energy: 1.7173352172022447
Energy: 1.4579660656437643
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Energy: 1.4579660656437643
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Energy: 1.7256617710104096
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Energy: 1.606770860062523
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Energy: 1.460555456170975
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Energy: 1.4605554561655214
Energy: 1.4980465419004048
Energy: 1.606770860062523
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Energy: 1.796214652704886
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Energy: 1.4886112758137495
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Energy: 1.4940266506957554
Energy: 1.5248629904275035
Energy: 1.6021315480913771
Energy: 1.4940266506875748
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Energy: 1.6021315480995084
Energy: 1.4940266506903015
Energy: 1.5248629904411377
Energy: 1.6021315480886504
Energy: 1.494026650701209
Energy: 1.7223269068043576
Energy: 1.4643756967680686
Energy: 1.6584623479765968
Energy: 1.7223269068016307
Energy: 1.4643756967626147
Energy: 1.6584623477584965
Energy: 1.7223269068016307
Energy: 1.4643756967707953
Energy: 1.6584623477584965
Energy: 1.7223269068043576
Energy: 1.674871768836537
Energy: 1.6961934612390315
Energy: 1.4993368719291609
Energy: 1.6748717688310837
Energy: 1.696193461252666
Energy: 1.499336871934615
Energy: 1.674871768822903
Energy: 1.6961934612444853
Energy: 1.4993368719400686
Energy: 1.674871768836537
Energy: 1.4608650849443703
Energy: 1.633821539184802
Energy: 1.4895744087998144
Energy: 1.4608650849389164
Energy: 1.6787486844451238
Energy: 1.4895744087998144
Energy: 1.4608650849416434
Energy: 1.633821539184802
Energy: 1.4895744087998144
Energy: 1.4608650849416434
Energy: 1.4597603104549375
Energy: 1.5361109452138233
Energy: 1.5354478503461177
Energy: 1.4597603104658448
Energy: 1.5361057068054873
Energy: 1.535483012553021
Energy: 1.4597603104658448
Energy: 1.5361109452056427
Energy: 1.5354478503461177
Energy: 1.4597603104576642
Energy: 1.498154533863702
Energy: 1.4979084831722178
Energy: 1.573054762625205
Energy: 1.4981545338664286
Energy: 1.4979240490607277
Energy: 1.5730547626279319
Energy: 1.4981545338691558
Energy: 1.4979084831722178
Energy: 1.5730547626279319
Energy: 1.4981545338691558
Energy: 1.7505770235293934
Energy: 1.497462978240464
Energy: 1.5232566251812156
Energy: 1.750577023534847
Energy: 1.497470494158308
Energy: 1.523256625178489
Energy: 1.7505770235266664
Energy: 1.4974629782377373
Energy: 1.5232566251839426
Energy: 1.7505770235266664
Energy: 1.606626234950873
Energy: 1.614254170317383
Energy: 1.494148349846845
Energy: 1.6066262349454192
Energy: 1.614254170317383
Energy: 1.4941483498441184
Energy: 1.6066262349590537
Energy: 1.6142541703119293
Energy: 1.4941483498332107
Energy: 1.6066262349536

minimum gb energy = 1.4576064749293571 eV
minimum distance =  2.27166047647417 Angstroms
sigma value = 185


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

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Energy: 0.8046693777959001
Energy: 0.8079880769802245
Energy: 0.7556462378531738
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Energy: 0.7556462378538211
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Energy: 0.755646237855469
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Energy: 0.8230328371149924
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Energy: 0.9423149479684815
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Energy: 0.8061740111320601
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Energy: 0.9425587742446326
Energy: 0.7792289812297069
Energy: 0.813393344825743
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Energy: 0.7792289812235272
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Energy: 0.9425587742540492
Energy: 0.7792289812187013
Energy: 0.8133933448318639
Energy: 0.9425587742530489
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Energy: 0.8230328371120498
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Energy: 0.8230328371059289
Energy: 0.8575202671983918
Energy: 0.8134871261995377
Energy: 0.8230328371078711
Energy: 0.8575202671980976
Energy: 0.9423149479736606
Energy: 0.7096693377412409
Energy: 0.8079187489211163
Energy: 0.9423149479713653
Energy: 0.7096693377344138
Energy: 0.8079187489250005
Energy: 0.9423149479746022
Energy: 0.7096693377389456
Energy: 0.8079187489230585
Energy: 0.9423149479743078
Energy: 0.8037913067229034
Energy: 0.8127446361731331
Energy: 0.8088057497271117
Energy: 0.8037913067232566
Energy: 0.8127446361644227
Energy: 0.8088057497297013
Energy: 0.8037913067187249
Energy: 0.8127446361783122
Energy: 0.8088057497345273
Energy: 0.8037913067174302
Energy: 0.7549348576411608
Energy: 0.7093555934163154
Energy: 0.8070713398573414
Energy: 0.7549348576450451
Energy: 0.7093555934217889
Energy: 0.8070713398576356
Energy: 0.7549348576428087
Energy: 0.709355593422142
Energy: 0.8070713398628148
Energy: 0.7549348576476347
Energy: 0.8609997729763968
Energy: 0.8222514885321603
Energy: 0.8055961890838127
Energy: 0.860999772978339
Energy: 0.8222514885396348
Energy: 0.8055961890864022
Energy: 0.8609997729806342
Energy: 0.8222514885295708
Energy: 0.8055961890876969
Energy: 0.8609997729754552

minimum gb energy = 0.7090858653280339 eV
minimum distance =  2.32771851162782 Angstroms
sigma value = 33


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

Energy: 1.4272085110814234
Energy: 1.4819146004664066
Energy: 1.481779306632342
Energy: 1.4272085110814234
Energy: 1.481914600464662
Energy: 1.481779306635896
Energy: 1.4272085110814234
Energy: 1.4819146004664066
Energy: 1.481779306632342
Energy: 1.4272085110814234
Energy: 1.4712496128646455
Energy: 1.4565673541321846
Energy: 1.4647760443892353
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Energy: 1.4647760443892353
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Energy: 1.399682903592207
Energy: 1.4019023030016693
Energy: 1.3890212730195455
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Energy: 1.4019023030052231
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Energy: 1.3996829035868759
Energy: 1.4426090637201074
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Energy: 1.4666850084933147
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Energy: 1.4011085517319135
Energy: 1.4184930025473483
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Energy: 1.4011085517283595
Energy: 1.4184930025437943
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Energy: 1.4476794781468991
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Energy: 1.4829214153777923
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Energy: 1.4873487741704416
Energy: 1.4829214153777923
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Energy: 1.4873487741722187
Energy: 1.4829214153795693
Energy: 1.3848698843387797
Energy: 1.4873487741722187
Energy: 1.4829214153777923
Energy: 1.4728385625217766
Energy: 1.451160835456097
Energy: 1.4569980862162784
Energy: 1.4728385625235536
Energy: 1.45116083545432
Energy: 1.4569980862162784
Energy: 1.4728385625217766
Energy: 1.45116083545432
Energy: 1.4569980862162784
Energy: 1.4728385625235536
Energy: 1.4874967889117727
Energy: 1.5097781901067746
Energy: 1.3973329760660667
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Energy: 1.4754644616062038
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Energy: 1.4754644616026498
Energy: 1.472001383089969
Energy: 1.4871344530493287
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Energy: 1.472678294228438
Energy: 1.472086706239227
Energy: 1.4871344530493287
Energy: 1.4726782942231071
Energy: 1.4720867062445582
Energy: 1.4871344530475514
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Energy: 1.4724140237718315
Energy: 1.4842826176519404
Energy: 1.4799691845616167
Energy: 1.4724140237700545
Energy: 1.4842826176501638
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Energy: 1.4724140237718315
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Energy: 1.4262674285162955
Energy: 1.3921256617065647
Energy: 1.4254933457438415
Energy: 1.4262674285376196
Energy: 1.3921256616994568

minimum gb energy = 1.3848698843387797 eV
minimum distance =  2.28033059608652 Angstroms
sigma value = 219


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

Energy: 1.930837703262623
Energy: 2.054553091421513
Energy: 2.0545478255318015
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Energy: 1.9272675873750582
Energy: 2.05149830578643
Energy: 2.0588173396252896
Energy: 1.9272675873738823
Energy: 2.0514983057852545
Energy: 2.0588173396217613
Energy: 1.9272675873738823
Energy: 2.05149830578643
Energy: 2.0588173396252896
Energy: 1.9272675873750582
Energy: 1.9979912470859786
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Energy: 2.0635406501360145
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Energy: 1.9964919679236708
Energy: 2.0635406501360145
Energy: 1.9979912470859786
Energy: 1.9964919679236708
Energy: 2.0635406501360145
Energy: 1.9979912470871548

minimum gb energy = 1.9267210639287708 eV
minimum distance =  2.25188415083381 Angstroms
sigma value = 15


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

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Energy: 2.247337458913891
Energy: 2.281303048975723
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Energy: 2.27469070988065
Energy: 2.203718981508675
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minimum gb energy = 2.179006851849549 eV
minimum distance =  2.23360393404417 Angstroms
sigma value = 293


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

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Energy: 2.226997723017391
Energy: 2.184400348039197
Energy: 2.175412293583223
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Energy: 2.175412293582982
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Energy: 2.1802745336890434
Energy: 2.350905417967603
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Energy: 2.350905417966541
Energy: 2.2105513184784114
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Energy: 2.350905417967603
Energy: 2.2105513184784114
Energy: 2.1802745336925207
Energy: 2.178383313419838
Energy: 2.2442568125822695
Energy: 2.3009161324910097
Energy: 2.178383313418776
Energy: 2.244256812581207
Energy: 2.3009161324904785
Energy: 2.178383313418486
Energy: 2.244256812580917
Energy: 2.3009161324904785
Energy: 2.1783833134193067
Energy: 2.3396688087810134
Energy: 2.2635537433907142
Energy: 2.263080396455705
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Energy: 2.2635537433923076
Energy: 2.2630803964544013
Energy: 2.3396688087815445
Energy: 2.2635537433914865
Energy: 2.263080396455705
Energy: 2.339668808781786
Energy: 2.178360382061818
Energy: 2.3007779309544345
Energy: 2.2442679650093194
Energy: 2.17836038206317
Energy: 2.3007779309547245
Energy: 2.2442679650077255
Energy: 2.1783603820621074
Energy: 2.3007779309547245
Energy: 2.2442679650090787
Energy: 2.1783603820650055
Energy: 2.1802823955158224
Energy: 2.210568726114046
Energy: 2.3508054144666573
Energy: 2.1802823955168846
Energy: 2.2105687261145777
Energy: 2.35080541446772
Energy: 2.1802823955158224
Energy: 2.2105687261137565
Energy: 2.350805414465064
Energy: 2.1802823955174166
Energy: 2.33872861627503
Energy: 2.2296203879579157
Energy: 2.1876824615269332
Energy: 2.33872861627503
Energy: 2.229620387955549
Energy: 2.1876824615277064
Energy: 2.33872861627503
Energy: 2.229620387956612
Energy: 2.187682461527465
Energy: 2.338728616275561
Energy: 2.246527290130737
Energy: 2.3183348442779312
Energy: 2.176296000487137
Energy: 2.2465272901296744
Energy: 2.3183348442789935
Energy: 2.176296000487137
Energy: 2.2465272901312683
Energy: 2.3183348442776412
Energy: 2.1762960004874263
Energy: 2.2465272901289013

minimum gb energy = 2.175401850755617 eV
minimum distance =  2.19988157160525 Angstroms
sigma value = 293


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

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Energy: 2.2372925504592414
Energy: 2.237484791728749
Energy: 2.23831043110008
Energy: 2.2372925504659635
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Energy: 2.238053259531553
Energy: 2.2388718920066393
Energy: 2.2383104310981596
Energy: 2.2372925504621226
Energy: 2.237484791728749
Energy: 2.23831043110248
Energy: 2.237292550466443
Energy: 2.237484791728269
Energy: 2.238310431104401
Energy: 2.2372925504626022
Energy: 2.23748479173355
Energy: 2.2383104310971995
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Energy: 2.2410102006034567
Energy: 2.2388872248366205
Energy: 2.238253282313264
Energy: 2.241010200608738
Energy: 2.23888722483614
Energy: 2.2382532822892585
Energy: 2.241010200601536
Energy: 2.2388872248419016
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Energy: 2.23642433070016
Energy: 2.177726455803751
Energy: 2.2366493611032827
Energy: 2.2364243307030414
Energy: 2.1777265128368213
Energy: 2.2366493611056835
Energy: 2.2364243307006406
Energy: 2.177726470484466
Energy: 2.236649361101842
Energy: 2.1774150538766786
Energy: 2.2363578753238005
Energy: 2.236666075370123
Energy: 2.1774150538819597
Energy: 2.2363578753213993
Energy: 2.236666075370123
Energy: 2.1774150538723576
Energy: 2.236357875314678
Energy: 2.236666075369643
Energy: 2.1774150538651558
Energy: 2.241105164435863
Energy: 2.2380532595349143
Energy: 2.238871892001838
Energy: 2.241105164432982
Energy: 2.2380532595301132
Energy: 2.2388718920003976
Energy: 2.241105164432982
Energy: 2.2380532595406755
Energy: 2.2388718920090396
Energy: 2.241105164432502
Energy: 2.237292550465483
Energy: 2.2374847917258687
Energy: 2.23831043110008
Energy: 2.2372925504597214
Energy: 2.237484791727789
Energy: 2.2383104311020006
Energy: 2.237292550464523
Energy: 2.237484791729229
Energy: 2.238310431096719
Energy: 2.237292550464523
Energy: 2.2382532822849375
Energy: 2.241010200605857
Energy: 2.238887224839501
Energy: 2.2382532822849375
Energy: 2.241010200609218
Energy: 2.2388872248366205
Energy: 2.2382532822911787
Energy: 2.241010200602016
Energy: 2.2388872248380607
Energy: 2.2382532823007812

minimum gb energy = 2.1774150538335117 eV
minimum distance =  2.27180472529247 Angstroms
sigma value = 15


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

Energy: 2.1513669884893183
Energy: 2.203506002898833
Energy: 2.2572189183562035
Energy: 2.1827525710711004
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Energy: 2.4875572998434503
Energy: 2.112113076269521
Energy: 2.1780332894013306
Energy: 2.0982929201897016
Energy: 2.1435874008070184
Energy: 2.17798674282603
Energy: 2.098290795311817
Energy: 2.1435874008113713
Energy: 2.1780332894078596
Energy: 2.0982929201831726
Energy: 2.1435874008135474
Energy: 2.177986742815188
Energy: 2.151183499348497
Energy: 2.105873615318274
Energy: 2.111957284217798
Energy: 2.151183499348497
Energy: 2.10587361532045
Energy: 2.111957284209093
Energy: 2.15118349935281
Energy: 2.1058736153226265
Energy: 2.111957284206956
Energy: 2.151183499344144
Energy: 2.1640167807633146
Energy: 2.2175005768635545
Energy: 2.140070317089659
Energy: 2.1640167807611386
Energy: 2.2175005768700835
Energy: 2.139749271913864
Energy: 2.164016780756785
Energy: 2.2175005768722595
Energy: 2.1400703170874826
Energy: 2.164016780750256
Energy: 2.0825964346560744
Energy: 2.1503372698899974
Energy: 2.1061758642697663
Energy: 2.0825964346582513
Energy: 2.150337269887821
Energy: 2.106175864274119
Energy: 2.0825964346473693
Energy: 2.150337269896527
Energy: 2.1061758642632373
Energy: 2.0825964346408403
Energy: 2.140572822422031
Energy: 2.101240549357248
Energy: 2.1029041821664274
Energy: 2.1434690599642456
Energy: 2.101240549357248
Energy: 2.1029041821598984
Energy: 2.140572822415502
Energy: 2.1012405493616004
Energy: 2.1029041821577223
Energy: 2.1434690599577166
Energy: 2.140010238125963
Energy: 2.116430885227422
Energy: 2.203449140664951
Energy: 2.1423787987295397
Energy: 2.1164308852317744
Energy: 2.3631619530952688
Energy: 2.140010238125963
Energy: 2.1164308852383034
Energy: 2.2034491406693033
Energy: 2.1423787987317158
Energy: 2.079981493428074
Energy: 2.2790436490894534
Energy: 2.1532409111438717
Energy: 2.0799814934237206
Energy: 2.2790436490872774
Energy: 2.1532409111525763
Energy: 2.07998149343025
Energy: 2.2790436490807484
Energy: 2.1532409111460473
Energy: 2.079981493428074
Energy: 2.1852784357731765
Energy: 2.132345673099938
Energy: 2.1065045469284405
Energy: 2.1852784357666475
Energy: 2.132345673093409
Energy: 2.106504546915382
Energy: 2.1852784357666475
Energy: 2.13234567308688
Energy: 2.1065045469262635
Energy: 2.1852784357666475
Energy: 2.1501324597403744
Energy: 2.106611698437732
Energy: 2.1006161719724643
Energy: 2.150132459742551
Energy: 2.1066116984399086
Energy: 2.1006438050873997
Energy: 2.150132459736022
Energy: 2.106611698437732
Energy: 2.1006161719659353
Energy: 2.1501324597316693
Energy: 2.163553882073588
Energy: 2.244197364743777
Energy: 2.099571504735654
Energy: 2.163553882080117
Energy: 2.244197364743777
Energy: 2.099571504735654
Energy: 2.1635538820692353
Energy: 2.2441973647481297
Energy: 2.0995715047378294
Energy: 2.163553882064882
Energy: 2.1161315474443096
Energy: 2.3914276652777366
Energy: 2.136209647193237
Energy: 2.1161315474377806
Energy: 2.391427665279913
Energy: 2.1362096471954137
Energy: 2.116131547442133
Energy: 2.3914276652842656
Energy: 2.1362096471975898
Energy: 2.116131547442133
Energy: 2.2422976233454643
Energy: 2.181737443151852
Energy: 2.082402243383519
Energy: 2.2422976233432883
Energy: 2.181737443162733
Energy: 2.082402243392225
Energy: 2.242297623347641
Energy: 2.181737443162733
Energy: 2.0824022433878717
Energy: 2.2422976233454643
Energy: 2.1211995579381506
Energy: 2.222095860905882
Energy: 2.154888464565213
Energy: 2.1211995579359746
Energy: 2.222095860903706
Energy: 2.1548884645499786
Energy: 2.1211995579468566
Energy: 2.222095860905882
Energy: 2.154888464558684
Energy: 2.12119955794468
Energy: 2.1077089636487036
Energy: 2.1567314319964983
Energy: 2.143662327941563
Energy: 2.1077089636487036
Energy: 2.1569449019056535
Energy: 2.14377920361367
Energy: 2.1077089636530557
Energy: 2.1567314319899693
Energy: 2.1436623279306817
Energy: 2.1077089636487036
Energy: 2.1455372352730024
Energy: 2.0787257749094663
Energy: 2.196692703417024
Energy: 2.1455372352664734
Energy: 2.0787257749138184
Energy: 2.196692703412671
Energy: 2.1455372352599444
Energy: 2.0787257749138184
Energy: 2.1966927034083183
Energy: 2.145537235264297
Energy: 2.135794671706857
Energy: 2.31011332522095
Energy: 2.1228982141466353
Energy: 2.1357946717090326
Energy: 2.310113325214421
Energy: 2.1228982141509882
Energy: 2.135794671706857
Energy: 2.31011332522095
Energy: 2.1228982141444592
Energy: 2.1357946717220906
Energy: 2.235827174044066
Energy: 2.1001863109744927
Energy: 2.1223676017887105
Energy: 2.2358271740245184
Energy: 2.100188626220832
Energy: 2.1223676017952395
Energy: 2.235827174031008
Energy: 2.1001863109592582
Energy: 2.122367601786534
Energy: 2.2358271740331843
Energy: 2.1457952930859174
Energy: 2.140960888970039
Energy: 2.107695508414884
Energy: 2.1457952930859174
Energy: 2.140960888970039
Energy: 2.1076955084127076
Energy: 2.145795293081565
Energy: 2.1409608889656866
Energy: 2.107695508414884
Energy: 2.145795293081565
Energy: 2.2331427082172732
Energy: 2.1783951511298305
Energy: 2.1321207651899896
Energy: 2.2331427082172732
Energy: 2.1783951511341835
Energy: 2.132122899193655
Energy: 2.233142708221626
Energy: 2.1783951511363595
Energy: 2.132120765185637
Energy: 2.233142708215097
Energy: 2.0823591025451558
Energy: 2.151743290976314
Energy: 2.224217436472074
Energy: 2.0823591025429793
Energy: 2.151743290971961
Energy: 2.22421743647425
Energy: 2.0823591025386268
Energy: 2.1517432909698244
Energy: 2.22421743647425
Energy: 2.0823591025408024
Energy: 2.135562493656768
Energy: 2.378181744217186
Energy: 2.1166374275556166
Energy: 2.1356473874539623
Energy: 2.3781817442215396
Energy: 2.1166374275686746
Energy: 2.1355624936437096
Energy: 2.3781817442258917
Energy: 2.1166374275621456
Energy: 2.1356473874604913

minimum gb energy = 2.0783542307154046 eV
minimum distance =  2.20214492323619 Angstroms
sigma value = 437


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

Energy: 1.9258095178213024
Energy: 2.1849499563634183
Energy: 2.184935708757532
Energy: 1.9258095178181311
Energy: 2.184949956361833
Energy: 2.1849357087607033
Energy: 1.9258095178220953
Energy: 2.1849499563634183
Energy: 2.184935708756739
Energy: 1.925809517817338
Energy: 2.008606981406693
Energy: 1.8825846409300788
Energy: 1.8956601364769803
Energy: 2.008606981409072
Energy: 1.8825846409284932
Energy: 1.8956601364738086
Energy: 2.008606981408279
Energy: 1.8825846409300788
Energy: 1.8956601364753947
Energy: 2.008606981409072
Energy: 2.1013984819707887
Energy: 1.8645944035100326
Energy: 1.8779859783201132
Energy: 2.1013984819707887
Energy: 1.8645944035132043
Energy: 1.8779859783169413
Energy: 2.1013984819707887
Energy: 1.8645944035100326
Energy: 1.8698964785336325
Energy: 2.0901462633745185
Energy: 1.9015064710403198
Energy: 2.008685299143675
Energy: 1.9005929246481894
Energy: 1.901506471052213
Energy: 2.0086852991516047
Energy: 1.900592924652947
Energy: 1.9015064710419058
Energy: 2.0086852991452613
Energy: 1.900592924646604
Energy: 1.9015064710434915
Energy: 1.9315927030311066
Energy: 1.9016428831988361
Energy: 2.4068334330693983
Energy: 1.9315927030231783
Energy: 1.9016428832004222
Energy: 2.4068334330686056
Energy: 1.9315927030271425
Energy: 1.9016428831980434
Energy: 2.4068334330693983
Energy: 1.9315927030239712
Energy: 1.898797237200261
Energy: 2.0150907233739566
Energy: 1.882391287678217
Energy: 1.8987972371970891
Energy: 2.015090723372371
Energy: 1.8823912876734594
Energy: 1.8987972371978823
Energy: 2.0150907233699926
Energy: 1.882391287678217
Energy: 1.8987972371978823
Energy: 1.9878212377892859
Energy: 1.9118625814066288
Energy: 1.8647634278394674
Energy: 1.987821237800386
Energy: 1.929781483502187
Energy: 1.8647634278394674
Energy: 1.9878212377702567
Energy: 1.9297814835006015
Energy: 1.8647634278386742
Energy: 1.9895117455837026
Energy: 1.885707677364271
Energy: 2.16738456643449
Energy: 1.89449532284626
Energy: 1.8857076773666497
Energy: 2.16738456643449
Energy: 1.8944953228446741
Energy: 1.885707677364271
Energy: 2.16738456643449
Energy: 1.8944953228454673
Energy: 1.8857076773658568
Energy: 2.1759053520511236
Energy: 1.902709938123104
Energy: 1.9019018686784208
Energy: 2.1759053520511236
Energy: 1.9027099381223116
Energy: 1.9019018686800067
Energy: 2.1759053520519163
Energy: 1.9027099381238972
Energy: 1.9019018686776281
Energy: 2.17590535205271
Energy: 1.905894855729224
Energy: 2.04379445705047
Energy: 2.437526005626213
Energy: 1.905894855730017
Energy: 2.0437944570528486
Energy: 2.43752600562542
Energy: 1.905894855730017
Energy: 2.043794457049677
Energy: 2.437526005626213
Energy: 1.905894855730017
Energy: 1.8652963753200769
Energy: 1.8651602472510065
Energy: 2.0062181388950187
Energy: 1.8652963753256269
Energy: 1.8651602472446633
Energy: 2.0062181388926397
Energy: 1.8652963753200769
Energy: 1.8630244065482855
Energy: 1.9474523011858191
Energy: 1.8652963753248342
Energy: 2.043771228064585
Energy: 1.881011943647325
Energy: 2.1403764037120903
Energy: 2.0437712280677562
Energy: 1.8810119436489112
Energy: 2.1403764037136765
Energy: 2.043771228064585
Energy: 1.881011943647325
Energy: 2.140376403712883
Energy: 2.043771228066171
Energy: 1.9022924370326533
Energy: 2.4394845545632955
Energy: 1.9020580631513717
Energy: 1.9022924370302745
Energy: 2.439484554560917
Energy: 1.9020580631482
Energy: 1.902292437033446
Energy: 2.4394845545632955
Energy: 1.9020580631513717
Energy: 1.9022924370310672
Energy: 1.9080921414228782
Energy: 1.8816972984831697
Energy: 2.008182444216139
Energy: 1.908092141425257
Energy: 1.8816972984815836
Energy: 2.008182444215347
Energy: 1.9080921414228782
Energy: 1.8816972984839624
Energy: 2.008182444216139
Energy: 1.9080921414244645

minimum gb energy = 1.8630244065482855 eV
minimum distance =  2.20822782029529 Angstroms
sigma value = 33