Model name: model_name=EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855324625968933
cohesive_energy=4.122759316665687
mass=55.845
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: 0.014457439958759493
Energy: 0.015078811125881563
Energy: 0.014734936464229431
Energy: 2.044179179839439
Energy: 0.014734936463518533
Energy: 0.01507881112540763
Energy: 0.014457439958074924
Energy: 0.015078811125170663
Energy: 0.014734936463518533
Energy: 1.428291543863092
Energy: 0.6736937091005317
Energy: 0.015531311721092168
Energy: 0.016817927042021372
Energy: 0.6633611609684862
Energy: 0.01681792704109984
Energy: 0.015531311721329134
Energy: 0.6736937091007688
Energy: 0.015531311721566103
Energy: 0.01681792704109984
Energy: 0.6633611609682492
Energy: 0.014457439958548854
Energy: 0.015078811125881563
Energy: 0.0147349364637555
Energy: 2.0441791798387547
Energy: 0.014734936463518533
Energy: 0.015078811125644596
Energy: 0.014457439958759493
Energy: 0.015078811125644596
Energy: 0.014734936463281566
Energy: 1.4282915438693586
Energy: 0.6736937091005317
Energy: 0.015531311721092168
Energy: 0.01681792704225834
Energy: 0.6633611609680122
Energy: 0.016817927040862872
Energy: 0.015531311721329134
Energy: 0.6736937091005317
Energy: 0.015531311720855201
Energy: 0.01681792704109984
Energy: 0.6633611609684862
Energy: 0.014457439957837956
Energy: 0.015078811126329165
Energy: 0.014734936464229431
Energy: 2.044179179839439
Energy: 0.014734936463281566
Energy: 0.015078811124960026
Energy: 0.014457439958759493
Energy: 0.015078811125170663
Energy: 0.01473493646444007
Energy: 1.4282915438626447
Energy: 0.6736937091007688
Energy: 0.015531311721092168
Energy: 0.016817927042021372
Energy: 0.6633611609682492
Energy: 0.016817927040862872
Energy: 0.015531311721329134
Energy: 0.6736937091009794
Energy: 0.015531311721329134
Energy: 0.016817927040862872
Energy: 0.6633611609682492
Energy: 0.014457439958548854
Energy: 0.015078811125881563
Energy: 0.014734936463992467
Energy: 2.0441791798387547
Energy: 0.0147349364637555
Energy: 0.015078811125644596
Energy: 0.01445743995899646
Energy: 0.015078811125644596
Energy: 0.014734936463518533
Energy: 1.7378724155075547

minimum gb energy = 0.014457439957837956 eV
minimum distance =  2.20912219925166 Angstroms
sigma value = 3


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

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Energy: 1.4076864922375474
Energy: 1.449313091086364
Energy: 1.4504229471862622
Energy: 1.4372917871479916
Energy: 1.3453727488328495
Energy: 1.496170225058952
Energy: 1.4076864920940093
Energy: 1.4493130910779024
Energy: 1.3910792945093926
Energy: 1.3956048119852835
Energy: 1.2890729450324803
Energy: 1.4336101790894265
Energy: 1.544257705959413
Energy: 1.3451761064104248
Energy: 1.3051834637651862
Energy: 1.3956048119898234
Energy: 1.2890729450341827
Energy: 1.4336101790843183
Energy: 1.5442577059622506
Energy: 1.366248068219501
Energy: 1.3052381245727362
Energy: 1.3050180123057535
Energy: 1.3118908454048457
Energy: 1.4121290921516632
Energy: 1.2692929028483029
Energy: 1.3662480682200688
Energy: 1.2982570423261472
Energy: 1.3050180123097264
Energy: 1.3118908454076834
Energy: 1.3611736160641528
Energy: 1.2887856946076703
Energy: 1.2761841636031401
Energy: 1.3166029988051868
Energy: 1.2731405521344246
Energy: 1.3186671018452472
Energy: 1.3611736160613153
Energy: 1.2887856946025626
Energy: 1.2761841635968973
Energy: 1.3166029988057544
Energy: 1.2917293629083242
Energy: 1.2886322217153954
Energy: 1.27508837236289
Energy: 1.280974569653479
Energy: 1.2898569764771701
Energy: 1.3616490682592735
Energy: 1.2917293629049191
Energy: 1.288632221718233
Energy: 1.2750883723623225
Energy: 1.2809745696517765
Energy: 1.432660478229348
Energy: 1.3231855406732271
Energy: 1.288348228980531
Energy: 1.2524233783530299
Energy: 1.3026682581762008
Energy: 1.3102145494181217
Energy: 1.3848947306521162
Energy: 1.3231855406749296
Energy: 1.2883482289890444
Energy: 1.2524233783558678
Energy: 1.309930094901634
Energy: 1.2778243814148178
Energy: 1.346541385137884
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Energy: 1.459936386663136
Energy: 1.3099300949073096
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Energy: 1.3465413851384518
Energy: 1.3293277862782176
Energy: 1.4004123975561664
Energy: 1.4499656424671925
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Energy: 1.320315631644474
Energy: 1.3841152251140694
Energy: 1.4004123975635447
Energy: 1.4499656424723006
Energy: 1.3013936500067256
Energy: 1.3117168430459747
Energy: 1.3349122468180297
Energy: 1.4281737595981807
Energy: 1.3508485308197784
Energy: 1.4323787647738124
Energy: 1.3234427741626713
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Energy: 1.428173759597613
Energy: 1.3508485308220486
Energy: 1.4323787647715425
Energy: 1.3982879771035273
Energy: 1.4083715127580172
Energy: 1.3977207382445729
Energy: 1.4757230476927532
Energy: 1.443248421771734
Energy: 1.464019279060341
Energy: 1.3443949428348538
Energy: 1.4083715127602872
Energy: 1.3977207382479782
Energy: 1.4757230476944558
Energy: 1.2959678336017502
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Energy: 1.2931209226770126
Energy: 1.2520357897549885
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Energy: 1.3944982439367208
Energy: 1.3788552509479928
Energy: 1.314716293954908
Energy: 1.2931209226775802
Energy: 1.2520357897510155
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Energy: 1.3944982439355857
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Energy: 1.317051684734474
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Energy: 1.296830269502564
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Energy: 1.2775275099756587
Energy: 1.281425635953478
Energy: 1.3227407591321765
Energy: 1.2995123056136126
Energy: 1.2910895849135688
Energy: 1.3510784773767566
Energy: 1.2979836027158427
Energy: 1.2814256359472347
Energy: 1.3227407591259333
Energy: 1.299512305617586
Energy: 1.2910895849101636
Energy: 1.334029193859345
Energy: 1.2989800001051546
Energy: 1.2520019717216568
Energy: 1.3141229057592316
Energy: 1.3136748313194695
Energy: 1.4280678678576317
Energy: 1.3340291938650204
Energy: 1.298980000102317
Energy: 1.2520019717256294
Energy: 1.3141229057580965
Energy: 1.3111310851680251
Energy: 1.3429584340961158
Energy: 1.3464868376137302
Energy: 1.3982362297915663
Energy: 1.3378513626076622
Energy: 1.3143277761640084
Energy: 1.3111310851617821
Energy: 1.3429584340966834
Energy: 1.3464868376154329
Energy: 1.3982362297875932
Energy: 1.504032118355866
Energy: 1.287034900468172
Energy: 1.4092071079750788
Energy: 1.3277167449536307
Energy: 1.4645809599571966
Energy: 1.3747273917417773
Energy: 1.5040321183552983
Energy: 1.2870349004698747
Energy: 1.4092071079767814
Energy: 1.3277167449468201
Energy: 1.4573203992266028
Energy: 1.3921153717970238
Energy: 1.4290914858375425
Energy: 1.353416873756431
Energy: 1.4155760451153516
Energy: 1.33353125134051
Energy: 1.4573203992260353
Energy: 1.3921153717748898
Energy: 1.4290914858352723
Energy: 1.3534168737552958
Energy: 1.3116068013908377
Energy: 1.311641705323776
Energy: 1.4374242258018894
Energy: 1.2619883741977866
Energy: 1.3844426796092133
Energy: 1.3128562539407695
Energy: 1.3116068013936757
Energy: 1.311641705321506
Energy: 1.4374242258030245
Energy: 1.261988374535942
Energy: 1.3115723200909426
Energy: 1.412076075393179
Energy: 1.2841474802621167
Energy: 1.2842221141830923
Energy: 1.3533982172900665
Energy: 1.3132353806323356
Energy: 1.3115723200858347
Energy: 1.4120760753920438
Energy: 1.2841474802694945
Energy: 1.28422211418366
Energy: 1.2589276608073456
Energy: 1.2883527512615234
Energy: 1.38110526663538
Energy: 1.4388542976287815
Energy: 1.307982996676972
Energy: 1.3024897636690056
Energy: 1.258927660813021
Energy: 1.2883527512649289
Energy: 1.3811052666376502
Energy: 1.4388542976287815
Energy: 1.28153727006458
Energy: 1.2748616972713809
Energy: 1.2876096577108282
Energy: 1.2917599722765023
Energy: 1.3650387424554031
Energy: 1.373956345335051
Energy: 1.2815372700662824
Energy: 1.2748616972696782
Energy: 1.2876096577108282
Energy: 1.2917599722782052
Energy: 1.303155750850169
Energy: 1.2853293051547947
Energy: 1.27147322130498
Energy: 1.4684961279087152
Energy: 1.3089300425991262
Energy: 1.2741364977921488
Energy: 1.303155750849034
Energy: 1.2853293051508217
Energy: 1.2714732213027098
Energy: 1.4684961279172282
Energy: 1.3084885078918604
Energy: 1.3041871873330346
Energy: 1.3338401192178801
Energy: 1.3658312757502322
Energy: 1.4078831084751158
Energy: 1.434306782401669
Energy: 1.3084885078924278
Energy: 1.3041871873375752
Energy: 1.3338401192150422
Energy: 1.3658312757542048
Energy: 1.3856886634665324
Energy: 1.4284233009846672
Energy: 1.3278960845145973
Energy: 1.4398073030198273
Energy: 1.2994866471525701
Energy: 1.3317926885107376
Energy: 1.3856886634676675
Energy: 1.428423300987505
Energy: 1.3278960845145973
Energy: 1.4398073030181247
Energy: 1.389792387970944
Energy: 1.438650886045181
Energy: 1.3474587164051486
Energy: 1.4662002132067078
Energy: 1.346131897899726
Energy: 1.4493130910665515
Energy: 1.389792387966971
Energy: 1.4386508860412082
Energy: 1.3474587164193372
Energy: 1.4662002132061402
Energy: 1.544257705959413
Energy: 1.3451761064104248
Energy: 1.3051834637646185
Energy: 1.3956048119875537
Energy: 1.2890729450336151
Energy: 1.4336101790899938
Energy: 1.544257705964521
Energy: 1.345176106409857
Energy: 1.3051834637674564
Energy: 1.3956048119903912
Energy: 1.3084885078867527
Energy: 1.4121290921545009
Energy: 1.2692929028426272
Energy: 1.366248068221204
Energy: 1.2998038787761081
Energy: 1.3050180123029158
Energy: 1.3084885078867527
Energy: 1.4121290921596088
Energy: 1.2692929028488704
Energy: 1.366248068221204
Energy: 1.3166029988080246
Energy: 1.2731405521293166
Energy: 1.3186395176254377
Energy: 1.3611736160652879
Energy: 1.2887856946025626
Energy: 1.276184163602005
Energy: 1.3166029988085923
Energy: 1.2731405521304517
Energy: 1.3186395176339512
Energy: 1.3611736160647205

minimum gb energy = 1.2520019717216568 eV
minimum distance =  2.21937985500475 Angstroms
sigma value = 75


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

Energy: 1.622089501606841
Energy: 1.423762084361979
Energy: 1.438958880326293
Energy: 1.5019061560245452
Energy: 1.4391722574263721
Energy: 1.559025994828374
Energy: 1.6220895016079484
Energy: 1.423762084362256
Energy: 1.4389588803301703
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Energy: 1.4061772024387604
Energy: 1.400823341542729
Energy: 1.4607113569499333
Energy: 1.5425733840879665
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Energy: 1.3546306545357052
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Energy: 1.3341252850875192
Energy: 1.3307310398853058
Energy: 1.408195755927899
Energy: 1.3998158617542276
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Energy: 1.3636916064544
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Energy: 1.3354507441276966
Energy: 1.3302360578074068
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Energy: 1.3636916064596367
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Energy: 1.3354507441282506
Energy: 1.3302360578093453
Energy: 1.322964849616553
Energy: 1.3330609650010294
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Energy: 1.4093375994907689
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Energy: 1.348135236780806
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Energy: 1.3807741224361754
Energy: 1.4313173787457814
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Energy: 1.495716815844769
Energy: 1.4495659825975353
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Energy: 1.3344283400487689
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Energy: 1.4218089654750006
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Energy: 1.3487229625827701
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Energy: 1.3324688807609903
Energy: 1.3503334878129327
Energy: 1.3319228271105044
Energy: 1.3348788963540386
Energy: 1.3844038768187499
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Energy: 1.384403876817088
Energy: 1.465308301727928
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Energy: 1.4178178624292903
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Energy: 1.4316532638167576
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Energy: 1.5002520316764327
Energy: 1.49686943287857
Energy: 1.3792314955142604
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Energy: 1.4614798135833125
Energy: 1.5002520316775403
Energy: 1.4931817504026454
Energy: 1.454502998274418
Energy: 1.4302304347120862
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minimum gb energy = 1.3229214007359391 eV
minimum distance =  2.20982545436279 Angstroms
sigma value = 105


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

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Energy: 1.3586030273779093
Energy: 1.4001632544613163
Energy: 1.3593465465536536
Energy: 1.4975036572722633
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Energy: 1.3593465465549035
Energy: 1.4975036572732008
Energy: 1.4475871589190215
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Energy: 1.3886415152852591
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Energy: 1.4365951838629973
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Energy: 1.377773412406774
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Energy: 1.3519026990993976
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Energy: 1.4225498462728858
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Energy: 1.4707936142137787
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Energy: 1.4184495908411971
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Energy: 1.4431914704115814
Energy: 1.301743497255438
Energy: 1.3428678318204268
Energy: 1.455037000330898
Energy: 1.3524521910629959
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Energy: 1.3815350044651913
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Energy: 1.3197658484277979
Energy: 1.4558894884337774
Energy: 1.4949414569063588
Energy: 1.3132676330095405
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Energy: 1.3197658484262358
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Energy: 1.3579705137485716
Energy: 1.3199953221409106
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Energy: 1.357970513748884
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Energy: 1.599115990236903
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Energy: 1.2934080732141124
Energy: 1.3885998515250053
Energy: 1.3554351015673387
Energy: 1.5991159902365906
Energy: 1.3869038456429208
Energy: 1.4751523972597003
Energy: 1.3801290243980682
Energy: 1.3901158348438687
Energy: 1.4581549703897476
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Energy: 1.4122516187248817
Energy: 1.3947644926355716
Energy: 1.3801290241095012
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Energy: 1.4581549703900598
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Energy: 1.4031500352743977
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Energy: 1.4249293821101454
Energy: 1.3788998105615782
Energy: 1.4190733651629506
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Energy: 1.4031500352728359
Energy: 1.3340283078546187
Energy: 1.3195195208120054
Energy: 1.4168443557509076
Energy: 1.4163127061955283
Energy: 1.3151595975518304
Energy: 1.4325280784311567
Energy: 1.3340283078549313
Energy: 1.319519520812318
Energy: 1.4168443557509076
Energy: 1.4236136438519769
Energy: 1.320025210140414
Energy: 1.333822225742688
Energy: 1.479095852129086
Energy: 1.3158863597753296
Energy: 1.3682460904221128
Energy: 1.454018248343757
Energy: 1.3200252101397894
Energy: 1.3338222257430004
Energy: 1.4790958521284614
Energy: 1.3158863597747048
Energy: 1.4987353314080087
Energy: 1.3798750109949647
Energy: 1.340160998572296
Energy: 1.3560927361179933
Energy: 1.4148328102694678
Energy: 1.3539031584188463
Energy: 1.498735331407384
Energy: 1.379875010998089
Energy: 1.3401609985713587
Energy: 1.3560927361154942
Energy: 1.4475675187822898
Energy: 1.3798142294623263
Energy: 1.4976498810840428
Energy: 1.4467362685367324
Energy: 1.3385110459230136
Energy: 1.451971166146569
Energy: 1.4475675187819774
Energy: 1.3798142294698243
Energy: 1.4976498810852925
Energy: 1.4467362685486047
Energy: 1.4080353413614255
Energy: 1.3536193535485923
Energy: 1.417921230506917
Energy: 1.3967737976864991
Energy: 1.4269509369271467
Energy: 1.3870277968435005
Energy: 1.4080353413608004
Energy: 1.3536193535476553
Energy: 1.417921230506292
Energy: 1.3967737976855619
Energy: 1.3273989965183755
Energy: 1.3533193469631029
Energy: 1.4057435867416628
Energy: 1.3162124209528232
Energy: 1.490773327467886
Energy: 1.3173976306576671
Energy: 1.327398996517126
Energy: 1.3533193469646647
Energy: 1.4057435867429127
Energy: 1.3162124209528232
Energy: 1.3203326315100365
Energy: 1.400124491447121
Energy: 1.3585639963558382
Energy: 1.3680150203688446
Energy: 1.3305722787743433
Energy: 1.3204602149705529
Energy: 1.3203326315100365
Energy: 1.4001244914477458
Energy: 1.3585639963530263
Energy: 1.3680150203688446
Energy: 1.5349090126899168
Energy: 1.3797102284593086
Energy: 1.3585480378871606
Energy: 1.3998317025755445
Energy: 1.3802304419068558
Energy: 1.4768067368462316
Energy: 1.5349090126877298
Energy: 1.3797102284599334
Energy: 1.3585480378880976
Energy: 1.3998317025755445

minimum gb energy = 1.2934080732141124 eV
minimum distance =  2.23065126517891 Angstroms
sigma value = 165


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

Energy: 1.3636008148016094
Energy: 1.6005844480438147
Energy: 1.320574772574468
Energy: 1.5728352922264304
Energy: 1.3204423332380213
Energy: 1.6005656278004248
Energy: 1.3636008148069723
Energy: 1.600584448042742
Energy: 1.320574772574468
Energy: 1.3952991880269259
Energy: 1.3172665612584795
Energy: 1.3247218397965461
Energy: 1.3245392055730116
Energy: 1.3695681768692507
Energy: 1.2385697490495464
Energy: 1.2588113537075942
Energy: 1.3172665612595522
Energy: 1.324721839797619
Energy: 1.3245392055730116
Energy: 1.3695681768692507
Energy: 1.2619899004797253
Energy: 1.4532047230721579
Energy: 1.353202727802961
Energy: 1.2596496874569083
Energy: 1.336992544425835
Energy: 1.3869568142548838
Energy: 1.2619899004797253
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Energy: 1.2596496874579808
Energy: 1.2963346186946316
Energy: 1.3365291401412789
Energy: 1.3943818899086105
Energy: 1.257661352990113
Energy: 1.2581606041229199
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Energy: 1.2963346186957039
Energy: 1.3365291401423514
Energy: 1.3943818899107558
Energy: 1.257661352990113
Energy: 1.4528462299127123
Energy: 1.341529777746005
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Energy: 1.259037341022506
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Energy: 1.4528462299137848
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Energy: 1.2909250003876287
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Energy: 1.3604495264009864
Energy: 1.3188625753963625
Energy: 1.3091106191385538
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Energy: 1.3531039192123364
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Energy: 1.5625581763399934
Energy: 1.3453624128486605
Energy: 1.2579137535196196
Energy: 1.2823978382875987
Energy: 1.2614194440276412
Energy: 1.2423956699589422
Energy: 1.3033407889976663
Energy: 1.3194244849746648
Energy: 1.3202235017463924
Energy: 1.2823978382875987
Energy: 1.2614194440276412
Energy: 1.2423956699600145
Energy: 1.3033407889976663
Energy: 1.3602965900525241
Energy: 1.3091511728085234
Energy: 1.3185122266035991
Energy: 1.3245491974606607
Energy: 1.3392309408984524
Energy: 1.599220135496058
Energy: 1.3602965900514516
Energy: 1.3091511728095957
Energy: 1.3185122266035991
Energy: 1.324549197471386
Energy: 1.3580858744598985
Energy: 1.2899454393324818
Energy: 1.343773602913364
Energy: 1.4528965373902436
Energy: 1.3352223185140022
Energy: 1.2602453697875653
Energy: 1.3580858744598985
Energy: 1.2899454392670555
Energy: 1.3437736029122918
Energy: 1.4528965373902436
Energy: 1.257645487930088
Energy: 1.3945049357000225
Energy: 1.3366641023466828
Energy: 1.2967235930896075
Energy: 1.2385648257462707
Energy: 1.258156450414196
Energy: 1.2576454879311607
Energy: 1.394504935701095
Energy: 1.3366641023466828
Energy: 1.2967235930896075
Energy: 1.2591536467760873
Energy: 1.353202727802961
Energy: 1.4532749687510256
Energy: 1.2619965619280995
Energy: 1.3869568142548838
Energy: 1.3338399493383462
Energy: 1.2591536467760873
Energy: 1.353202727802961
Energy: 1.4532749687510256
Energy: 1.2619965619291722
Energy: 1.3686587409472666
Energy: 1.3245274582552482
Energy: 1.3267480037529096
Energy: 1.3173686755155694
Energy: 1.2587430483922684
Energy: 1.2385091431605542
Energy: 1.3686587409472666
Energy: 1.324527458256321
Energy: 1.3267480037840138
Energy: 1.3173686755177145
Energy: 1.5728352922296482
Energy: 1.3204423332401665
Energy: 1.6005656278014972
Energy: 1.3636008148016094
Energy: 1.6005844480438147
Energy: 1.3205747725733958
Energy: 1.5728352922264304
Energy: 1.3204423332390935
Energy: 1.6005656278014972
Energy: 1.363600814804827

minimum gb energy = 1.2385091431605542 eV
minimum distance =  2.21462655126054 Angstroms
sigma value = 41


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

Energy: 1.504905780595485
Energy: 1.2390339584233407
Energy: 1.22377320041132
Energy: 1.6231980333052736
Energy: 1.2152992053120313
Energy: 1.3073064527617273
Energy: 1.5049057805917394
Energy: 1.239033958427086
Energy: 1.223773200410904
Energy: 1.2387271050426298
Energy: 1.3525445690776423
Energy: 1.292809901311108
Energy: 1.2147689500838563
Energy: 1.373674271081024
Energy: 1.1918338585570127
Energy: 1.1991311763581418
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Energy: 1.2928099013086112
Energy: 1.2147689500701235
Energy: 1.3736742710781111
Energy: 1.1993696938311809
Energy: 1.1988756122875088
Energy: 1.3550000438416128
Energy: 1.2015777671690804
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Energy: 1.3158972932806698
Energy: 1.1993696938328458
Energy: 1.1988756122866764
Energy: 1.3550000438424452
Energy: 1.201577767168248
Energy: 1.1971415101771687
Energy: 1.220816921460311
Energy: 1.199882799554521
Energy: 1.213268648016927
Energy: 1.4171971675415225
Energy: 1.224766292713379
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Energy: 1.220816921459479
Energy: 1.1998827995541048
Energy: 1.2132686480198402
Energy: 1.3997287429401932
Energy: 1.313782595746078
Energy: 1.2469593041797649
Energy: 1.2214983663235233
Energy: 1.2940256179887475
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Energy: 1.3997287429302059
Energy: 1.3137825957477427
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Energy: 1.2214983663276846
Energy: 1.2408065900122178
Energy: 1.294708553069005
Energy: 1.2994910544879994
Energy: 1.2162852812792215
Energy: 1.365614459892187
Energy: 1.2194617064551034
Energy: 1.240806590010137
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Energy: 1.3547164634097757
Energy: 1.197890620358629
Energy: 1.1971005394846577
Energy: 1.3454125430263897
Energy: 1.2047396743816976
Energy: 1.2177503782592594
Energy: 1.3547164634101916
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Energy: 1.198365240511222
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Energy: 1.2467295542644186
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Energy: 1.2202179209450346
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Energy: 1.1997026355924887
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Energy: 1.1980469325311336
Energy: 1.2090505930076059
Energy: 1.354765316179846
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Energy: 1.2006471888138164
Energy: 1.199039097075389
Energy: 1.2887330097401888
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Energy: 1.2887330097401888
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Energy: 1.2141414111088429
Energy: 1.316840943876369
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Energy: 1.2005878397444756
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Energy: 1.2168829661900769
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Energy: 1.198184842827895
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Energy: 1.2158988876837042
Energy: 1.282729642023094
Energy: 1.2135709927590732
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Energy: 1.2135709927594895
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Energy: 1.2245957185240706
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Energy: 1.2019738287115103
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Energy: 1.3123295228862482
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Energy: 1.1997889486027282
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Energy: 1.199788948678429
Energy: 1.3692222825526423
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Energy: 1.1924250751952428
Energy: 1.197729595944479
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Energy: 1.3671527917995614
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Energy: 1.1977295959453111
Energy: 1.3540346796525267
Energy: 1.461697905971251
Energy: 1.2151179560172083
Energy: 1.2806708724814027
Energy: 1.3385226357729965
Energy: 1.3059067702368645
Energy: 1.354034679648365
Energy: 1.4616979059733317
Energy: 1.2151179560167924
Energy: 1.2806708724784897
Energy: 1.1474720847813231
Energy: 1.2885363594433092
Energy: 1.2217303307297684
Energy: 1.3721147943454843
Energy: 1.209048313106332
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Energy: 1.1474720847821551
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Energy: 1.3721147943450682
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Energy: 1.251530902451494
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Energy: 1.1975062597413013
Energy: 1.2515309024494132
Energy: 1.2021837902179897
Energy: 1.2949789869868717
Energy: 1.2950751636357467
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Energy: 1.3573584645403938
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Energy: 1.2419161660808495
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Energy: 1.198341154049505
Energy: 1.1977021263747962
Energy: 1.3614154776088048
Energy: 1.2158727257492024
Energy: 1.1971925526890448
Energy: 1.2949062754111598
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Energy: 1.2119731815573416
Energy: 1.4362624212018626
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Energy: 1.1971923227866494
Energy: 1.294906275414073
Energy: 1.199706491563918
Energy: 1.224813657486696
Energy: 1.4377478846819038
Energy: 1.3110247652563838
Energy: 1.2470240349414086
Energy: 1.224943039028055
Energy: 1.2917124919071086
Energy: 1.2248136574896087
Energy: 1.4377478846819038
Energy: 1.311024765254303
Energy: 1.2470240349459862
Energy: 1.2143345426950691
Energy: 1.2409436277962684
Energy: 1.295418584512734
Energy: 1.2462602317789604
Energy: 1.21596242047101
Energy: 1.3578060983704132
Energy: 1.2143345426979821
Energy: 1.2409436277946038
Energy: 1.2954185845123178
Energy: 1.2462602319411815
Energy: 1.2025782385931247
Energy: 1.2515309024494132
Energy: 1.212008241073744
Energy: 1.1967725062103065
Energy: 1.3132882649304787
Energy: 1.202905031467131
Energy: 1.2025782385952055
Energy: 1.2515309024502455
Energy: 1.212008241073744
Energy: 1.1967725062123873
Energy: 1.3682044906130744
Energy: 1.2250621810376614
Energy: 1.197803171982059
Energy: 1.1716078640761263
Energy: 1.199017548478468
Energy: 1.2095339300579375
Energy: 1.3682044906151554
Energy: 1.2250621810376614
Energy: 1.1978031719749844
Energy: 1.1716078640794554
Energy: 1.197583709360035
Energy: 1.2164716383161476
Energy: 1.2083660181978102
Energy: 1.3539502311231233
Energy: 1.2414290824257912
Energy: 1.3662689301588082
Energy: 1.1975837093662773
Energy: 1.2164716383157315
Energy: 1.2083660181890712
Energy: 1.3539502311231233
Energy: 1.1975093929120735
Energy: 1.2172897259175357
Energy: 1.3671527918078843
Energy: 1.3749605353220284
Energy: 1.298349330788295
Energy: 1.2156702901304839
Energy: 1.1975093929120735
Energy: 1.2172897259187843
Energy: 1.3671527918132942
Energy: 1.374960535323277

minimum gb energy = 1.1474720847813231 eV
minimum distance =  2.24525644746351 Angstroms
sigma value = 185


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

Energy: 1.3745330664671525
Energy: 1.1371156306132635
Energy: 1.3935924048732304
Energy: 1.542017780911954
Energy: 1.3937025606382136
Energy: 1.214234049387473
Energy: 1.3745330664681406
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Energy: 1.3134178280866342
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Energy: 1.3745330664671525
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Energy: 1.393592404874218
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Energy: 1.115228471571862
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Energy: 1.421465968016042
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Energy: 1.2354667210138224
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Energy: 1.280374372426955
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Energy: 1.1364600359236914
Energy: 1.6874161930300235
Energy: 1.370877152285922
Energy: 1.4275697865001822
Energy: 1.421913002651015
Energy: 1.1378827415077106
Energy: 1.1145025498427044
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Energy: 1.3708771522888858
Energy: 1.427569786508086
Energy: 1.4219130026495328
Energy: 1.4706026553155447
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Energy: 1.4706026553155447
Energy: 1.1140632962885832
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Energy: 1.1363337447439894
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Energy: 1.6871890966144418
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Energy: 1.421465968019994
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Energy: 1.370654670836673
Energy: 1.687189096613454
Energy: 1.114480382057326
Energy: 1.1378377246006872
Energy: 1.4214659680155481
Energy: 1.138640775291043
Energy: 1.3045275533816076
Energy: 1.2692539952674973
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Energy: 1.136000398082257
Energy: 1.281210167553857
Energy: 1.138640775291043
Energy: 1.30452755336827
Energy: 1.1767547015767053
Energy: 1.1364680197978725
Energy: 1.1364600359246795
Energy: 1.2354667210020116
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Energy: 1.1391550846969178
Energy: 1.2803743724274488
Energy: 1.136138901751941
Energy: 1.1364600359241854
Energy: 1.2354667210143164
Energy: 1.3048670335031123
Energy: 1.2504671598563954
Energy: 1.421913002650521
Energy: 1.1378827415077106
Energy: 1.1145025498427044
Energy: 1.6874161930290357
Energy: 1.3708771522883918
Energy: 1.42756978650364
Energy: 1.421913002649039
Energy: 1.1378827415062287
Energy: 1.1145025498422103
Energy: 1.6874161930310114
Energy: 1.1150420877911804
Energy: 1.1360552496769223
Energy: 1.1374510814401964
Energy: 1.4706026553165326
Energy: 1.114063296293029
Energy: 1.1152196174576543
Energy: 1.1150420877916742
Energy: 1.1360552496779102
Energy: 1.1374510814411842
Energy: 1.4706026553160387
Energy: 1.3926215147969774
Energy: 1.4537376920231224
Energy: 1.1359032817300037
Energy: 1.7091656497695946
Energy: 1.1361318897529347
Energy: 1.137327906984882
Energy: 1.3926215147979655
Energy: 1.4537376920221343
Energy: 1.1359032817304975
Energy: 1.7091656497691003
Energy: 1.1361837907208003
Energy: 1.114379716270812
Energy: 1.1383192923711472
Energy: 1.4197327304778313
Energy: 1.2355353611543824
Energy: 1.1359187767649248
Energy: 1.1361837907222825
Energy: 1.114379716270318
Energy: 1.1383192923720902
Energy: 1.4197327304788194

minimum gb energy = 1.1140632962885832 eV
minimum distance =  2.18334273183329 Angstroms
sigma value = 33


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

Energy: 1.3870480129639857
Energy: 1.442164297233179
Energy: 1.3848864213986214
Energy: 1.4298596432991546
Energy: 1.3844702022984448
Energy: 1.4587288978981396
Energy: 1.3870480129661553
Energy: 1.442164297234806
Energy: 1.3848864213951206
Energy: 1.5901284057856824
Energy: 1.4946611609376002
Energy: 1.3699983740594088
Energy: 1.2008881719405506
Energy: 1.2989678565667202
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Energy: 1.2989678565623815
Energy: 1.393895045357896
Energy: 1.207431297665057
Energy: 1.4301192388102895
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Energy: 1.3659062192066533
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Energy: 1.2044806072567302
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Energy: 1.2037571741347401
Energy: 1.3184058701454004
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Energy: 1.2868955576060004
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Energy: 1.3720857653779222
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Energy: 1.2323151591161097
Energy: 1.300163235602015
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Energy: 1.2997556827757515
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Energy: 1.3755617143344916
Energy: 1.2997556827795482
Energy: 1.2312836366335
Energy: 1.2987153097226851
Energy: 1.384759947782622
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Energy: 1.2312836366161686
Energy: 1.2987153097226851
Energy: 1.384759947781537
Energy: 1.4337089632265365
Energy: 1.1994812253125204
Energy: 1.2994511195080674
Energy: 1.2280009108095842
Energy: 1.2701643428741545
Energy: 1.3774542645882644
Energy: 1.4046337380438179
Energy: 1.1994812253117066
Energy: 1.2994511195072538
Energy: 1.2280009108095842
Energy: 1.2701643428727984
Energy: 1.2832102637246519
Energy: 1.4580888089078103
Energy: 1.2319838525588527
Energy: 1.271274073611275
Energy: 1.2599072766569996
Energy: 1.2033258991631393
Energy: 1.2832102637292373
Energy: 1.458088808904556
Energy: 1.2319838525585816
Energy: 1.2712740736142583
Energy: 1.2864128562691066
Energy: 1.3637968379244223
Energy: 1.4697611543955211
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Energy: 1.3876719642160484
Energy: 1.4458531856020216
Energy: 1.299502104195992
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Energy: 1.6215572940150735
Energy: 1.4458531856003944
Energy: 1.2995021041897792
Energy: 1.2055326949864893
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Energy: 1.3711916968704985
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Energy: 1.4825954012264726
Energy: 1.525732443207539
Energy: 1.2662437295341737
Energy: 1.4859932552803434
Energy: 1.371191696866702
Energy: 1.2857499804813726
Energy: 1.4825954012297269
Energy: 1.5257324432053696
Energy: 1.2311120497449581
Energy: 1.2964608751907558
Energy: 1.2552137554178393
Energy: 1.2698149156612266
Energy: 1.2199555969650846
Energy: 1.3985968041706616
Energy: 1.2311120497487547
Energy: 1.2964608751940103
Energy: 1.2552137554172969
Energy: 1.2698149156539047
Energy: 1.2867476241964126
Energy: 1.2766106880569237
Energy: 1.3344729578447976
Energy: 1.270562079644905
Energy: 1.2228869026362417
Energy: 1.2048013528246957
Energy: 1.2867476241926161
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Energy: 1.334472957842899
Energy: 1.2705620796470747
Energy: 1.2862340766167797
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Energy: 1.528044796400808
Energy: 1.2862340766184066
Energy: 1.3626264700773267
Energy: 1.4690068234705052
Energy: 1.3624048792067605

minimum gb energy = 1.1989818240540995 eV
minimum distance =  2.19395026632194 Angstroms
sigma value = 219


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

Energy: 1.1883418431708184
Energy: 1.2213254120023682
Energy: 1.1866330382164196
Energy: 1.835371875548674
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Energy: 1.194276866510495
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Energy: 1.224665354307507
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Energy: 1.2240974941728235
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Energy: 1.2237745834365736
Energy: 1.208503407324749
Energy: 1.1872365404893572
Energy: 1.183371807749818
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Energy: 1.1870870039061034
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Energy: 1.2085034073240353
Energy: 1.1872365404890106
Energy: 1.1865503213393747
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Energy: 1.1868006957087511
Energy: 1.363757756568225
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Energy: 1.2213331669783987
Energy: 1.1865503213386608
Energy: 1.2104194861671957
Energy: 1.1868006957083843
Energy: 1.3029261776117853

minimum gb energy = 1.1827355567158762 eV
minimum distance =  2.22789243119716 Angstroms
sigma value = 15


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

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Energy: 1.43315107649087
Energy: 1.324423525700222
Energy: 1.555005023885217
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Energy: 1.4427700915549004
Energy: 1.4141472609102543
Energy: 1.4040698658428663
Energy: 1.32191991585353
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minimum gb energy = 1.304186748317526 eV
minimum distance =  2.22385576055127 Angstroms
sigma value = 293


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

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Energy: 1.356057513480006
Energy: 1.37753652947193
Energy: 1.422956434166913
Energy: 1.3964236996330213
Energy: 1.4398328746485984
Energy: 1.2992624262324282
Energy: 1.3999937924401868
Energy: 1.3775365294723352
Energy: 1.3135680805919132
Energy: 1.4202634898520345
Energy: 1.3884176272566682
Energy: 1.3568895806510786
Energy: 1.3744383364145298
Energy: 1.5063480622285847
Energy: 1.3135680805882648
Energy: 1.4202634898520345
Energy: 1.3884176272578843
Energy: 1.3568895806510786
Energy: 1.5179402340164494
Energy: 1.4327256419765098
Energy: 1.3748084662765157
Energy: 1.5815835239462805
Energy: 1.3779107370787447
Energy: 1.4328777927855212
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Energy: 1.432725641975699
Energy: 1.3748084662744888
Energy: 1.581583523944659
Energy: 1.313806762816875
Energy: 1.50623215854051
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Energy: 1.3570818207389128
Energy: 1.3884189440596426
Energy: 1.4207928462959438
Energy: 1.313806762816875
Energy: 1.506232158538483
Energy: 1.3757841500526236
Energy: 1.3570818207397237
Energy: 1.4397658626881178
Energy: 1.395729330409138
Energy: 1.4230101034355043
Energy: 1.3776687396698446
Energy: 1.3560575134796005
Energy: 1.2992618169018555
Energy: 1.4846254040165288
Energy: 1.395729330407922
Energy: 1.4230101034355043
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Energy: 1.3945114790031585
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Energy: 1.3397243042988451
Energy: 1.4803728633131936
Energy: 1.4160796306916683
Energy: 1.388279820681722
Energy: 1.5701799021538818
Energy: 1.3125727645924277
Energy: 1.3397243042992508
Energy: 1.4803728633127882
Energy: 1.416079630692074
Energy: 1.388279820681722
Energy: 1.347161545334363
Energy: 1.3639552496721847
Energy: 1.3528514235223146
Energy: 1.5228091897712506
Energy: 1.382543868425972
Energy: 1.412562188374708
Energy: 1.3471615453347683
Energy: 1.3639552496738063
Energy: 1.352851423521504
Energy: 1.5228091897716558
Energy: 1.3799923130927445
Energy: 1.426769837353973
Energy: 1.4241274213763364
Energy: 1.4757194192293408
Energy: 1.4065072266798055
Energy: 1.4828731563946818
Energy: 1.3799923130927445
Energy: 1.426769837354784
Energy: 1.4241274213767419
Energy: 1.4757194192350163
Energy: 1.3879819948745593
Energy: 1.4030751980125653
Energy: 1.4030819081100947
Energy: 1.3882299367410031
Energy: 1.3449203700015075
Energy: 1.3448706086444386
Energy: 1.3879819948737486
Energy: 1.4030751980137817
Energy: 1.4030819081096892
Energy: 1.3882299367410031
Energy: 1.4760577633399323
Energy: 1.4250447885526913
Energy: 1.3803331143333823
Energy: 1.3801342550881799
Energy: 1.4828403853688414
Energy: 1.4073507888834123
Energy: 1.476057763338716
Energy: 1.4250447885526913
Energy: 1.3803331143329771
Energy: 1.3801342550885856
Energy: 1.5224972931444418
Energy: 1.35217813607237
Energy: 1.3639503872876335
Energy: 1.3470878528182926
Energy: 1.4128577375965299
Energy: 1.3827002424970438
Energy: 1.5224972931448473
Energy: 1.3521781360715592
Energy: 1.3639503872884444
Energy: 1.3470878528199144
Energy: 1.390940653168823
Energy: 1.4162554820721356
Energy: 1.4803728633123827
Energy: 1.3394876312405435
Energy: 1.3123252972641763
Energy: 1.5701799021538818
Energy: 1.3909406531692283
Energy: 1.4162554820717301
Energy: 1.4803728633131936
Energy: 1.3394876312413544
Energy: 1.4373881495393985
Energy: 1.5077984470912438
Energy: 1.3977379170232809
Energy: 1.3950949223646136
Energy: 1.3883877367911528
Energy: 1.3781539726305005
Energy: 1.4373881495406147
Energy: 1.5077984470912438
Energy: 1.3977379170240918
Energy: 1.3950949223747486

minimum gb energy = 1.299261816900234 eV
minimum distance =  2.21462705699632 Angstroms
sigma value = 293


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

Energy: 1.1247726569024274
Energy: 1.383444092306002
Energy: 1.1549287101253563
Energy: 1.736108590889332
Energy: 1.154934355820449
Energy: 1.4055722869364338
Energy: 1.1247726569016947
Energy: 1.3834440922840208
Energy: 1.1549287101275543
Energy: 1.462013582354232
Energy: 1.2305986073035011
Energy: 1.8124001590798278
Energy: 1.154944138209971
Energy: 1.5015657386837786
Energy: 1.569885744714811
Energy: 1.1554741999263833
Energy: 1.2305986072998376
Energy: 1.8124001590790952
Energy: 1.1549441382092382
Energy: 1.2625484004768313
Energy: 1.1982466057161654
Energy: 1.1207597506303295
Energy: 1.5041592630273228
Energy: 1.1208613372654461
Energy: 1.277608524435368
Energy: 1.1574428660064904
Energy: 1.1982466057146999
Energy: 1.1207597506303295
Energy: 1.5041592630287879
Energy: 1.1208613372669116
Energy: 1.5041492798957081
Energy: 1.120754866171974
Energy: 1.1981766172020514
Energy: 1.1574377574374017
Energy: 1.2303575321327824
Energy: 1.1208635239078613
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Energy: 1.157437757438867
Energy: 1.1550454086153894
Energy: 1.8124001590790952
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Energy: 1.1555626667229963
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Energy: 1.1550454086146569
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Energy: 1.1555626667244614
Energy: 1.1549343558189835
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Energy: 1.1247726569024274
Energy: 1.383444092342637
Energy: 1.1549287101253563
Energy: 1.5856784142554554
Energy: 1.1549343558182505
Energy: 1.26224302758169
Energy: 1.1247726569016947
Energy: 1.3834440923023386
Energy: 1.569885744714811
Energy: 1.155474199927116
Energy: 1.2305986073005701
Energy: 1.7356175775948353
Energy: 1.1549441382063073
Energy: 1.4032152249794543
Energy: 1.569885744714811
Energy: 1.1554741999256506
Energy: 1.230598607299105
Energy: 1.735617577592637
Energy: 1.277608524435368
Energy: 1.1574428660050249
Energy: 1.1982466057139671
Energy: 1.1207597506303295
Energy: 1.5041592630287879
Energy: 1.1208613372669116
Energy: 1.2776085244375661
Energy: 1.1574428660064904
Energy: 1.1982466057154326
Energy: 1.1207597506288642
Energy: 1.2303575321335152
Energy: 1.1208635239071285
Energy: 1.5041492798957081
Energy: 1.1207548661734392
Energy: 1.1981766172057149
Energy: 1.1574377574374017
Energy: 1.2303575321327824
Energy: 1.1208635239063958
Energy: 1.5041492798949754
Energy: 1.1207548661734392
Energy: 1.5697878092755824
Energy: 1.5478172695046029
Energy: 1.1550454086175876
Energy: 1.8124001590798278
Energy: 1.2305960681223773
Energy: 1.1555626667215309
Energy: 1.5697878092770479
Energy: 1.5478172695046029
Energy: 1.1550454086175876
Energy: 1.727520022283035
Energy: 1.1549287101268215
Energy: 1.5826906376757799
Energy: 1.1549343558189835
Energy: 1.4055722869364338
Energy: 1.1247726569024274
Energy: 1.383444092270133
Energy: 1.1549287101246233
Energy: 1.5800063772263555
Energy: 1.154934355817518
Energy: 1.26224302758169
Energy: 1.154944138209971
Energy: 1.4032152249794543
Energy: 1.569885744714811
Energy: 1.1554741999234523
Energy: 1.2305986073005701
Energy: 1.6137747951826125
Energy: 1.1549441382077728
Energy: 1.2625484004790295
Energy: 1.569885744714811
Energy: 1.1554741999278486
Energy: 1.5041592630273228
Energy: 1.120861337266179
Energy: 1.2776085244390312
Energy: 1.1574428660057576
Energy: 1.198246605716898
Energy: 1.120759750629597
Energy: 1.5041592630287879
Energy: 1.1208613372676444
Energy: 1.2776085244397641
Energy: 1.1574428660072227
Energy: 1.1981766172042494
Energy: 1.157437757438867
Energy: 1.2303575321342477
Energy: 1.1208635239063958
Energy: 1.5041492798964409
Energy: 1.1207548661734392
Energy: 1.1981766172035169
Energy: 1.1574377574374017
Energy: 1.2303575321327824
Energy: 1.1208635239078613
Energy: 1.2305960681238428
Energy: 1.1555626667244614
Energy: 1.5697878092755824
Energy: 1.5478172695038703
Energy: 1.1550454086153894
Energy: 1.8124001590790952
Energy: 1.230596068126041
Energy: 1.1555626667229963
Energy: 1.5697878092770479
Energy: 1.5478172695024048
Energy: 1.1247726569016947
Energy: 1.3834440921954307
Energy: 1.1549287101253563
Energy: 1.4398562715309446
Energy: 1.154934355819716
Energy: 1.26224302758169
Energy: 1.1247726569024274
Energy: 1.3834440922312996
Energy: 1.1549287101246233
Energy: 1.4847115989256072
Energy: 1.230598607301303
Energy: 1.4849012371261114
Energy: 1.1549441382085055
Energy: 1.262548400476099
Energy: 1.569885744714811
Energy: 1.1554741999263833
Energy: 1.2305986073027684
Energy: 1.6137747951840777
Energy: 1.154944138209971
Energy: 1.2625484004782968
Energy: 1.1982466057139671
Energy: 1.1207597506310625
Energy: 1.5041592630280551
Energy: 1.120861337263248
Energy: 1.2776085244390312
Energy: 1.1574428660050249
Energy: 1.1982466057146999
Energy: 1.120759750629597
Energy: 1.5041592630280551
Energy: 1.1208613372669116
Energy: 1.5041492798964409
Energy: 1.1207548661734392
Energy: 1.1981766172042494
Energy: 1.157437757438867
Energy: 1.2303575321335152
Energy: 1.120863523908594
Energy: 1.5041492798957081
Energy: 1.1207548661727067
Energy: 1.1981766172049824
Energy: 1.1574377574374017
Energy: 1.1550454086146569
Energy: 1.8124001590798278
Energy: 1.230596068128239
Energy: 1.1555626667222636
Energy: 1.5697878092763151
Energy: 1.5478172695038703
Energy: 1.155045408616855
Energy: 1.8124001590805605
Energy: 1.230596068126041
Energy: 1.1555626667207983
Energy: 1.154934355819716
Energy: 1.2622430275809573
Energy: 1.1247726569016947
Energy: 1.383444092253281
Energy: 1.1549287101253563
Energy: 1.4398562715302121
Energy: 1.1549343558182505
Energy: 1.2622430275824226
Energy: 1.1247726569024274
Energy: 1.383444092232765
Energy: 1.569885744714811
Energy: 1.1554741999234523
Energy: 1.2305986073020356
Energy: 1.4849012371261114
Energy: 1.154944138209971
Energy: 1.2625484004768313
Energy: 1.569885744714811
Energy: 1.1554741999256506
Energy: 1.2305986073049664
Energy: 1.6137747951877413

minimum gb energy = 1.120754866171974 eV
minimum distance =  2.22457114025132 Angstroms
sigma value = 15


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

Energy: 1.5635716941118716
Energy: 1.331051215424517
Energy: 1.3838131504942395
Energy: 1.7421226128368146
Energy: 1.3838159000299999
Energy: 1.3807506381083623
Energy: 1.5635716941105429
Energy: 1.3310512154258454
Energy: 1.3838131504935753
Energy: 1.354506745686256
Energy: 1.3918559923489033
Energy: 1.5162124823017835
Energy: 1.3824781533850388
Energy: 1.362608175206147
Energy: 1.3775759617737444
Energy: 1.3218915084408278
Energy: 1.3918559923489033
Energy: 1.5162124823004548
Energy: 1.3824781533857031
Energy: 1.3626081752074755
Energy: 1.4259160834503615
Energy: 1.3287158474299732
Energy: 1.4479939712284906
Energy: 1.3675184144256125
Energy: 1.426638771379137
Energy: 1.4050851328004714
Energy: 1.425916083448731
Energy: 1.3287158474236629
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Energy: 1.367518414426609
Energy: 1.4697334160971138
Energy: 1.3357652616004834
Energy: 1.3767726468187234
Energy: 1.3263506440495556
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Energy: 1.3263506440505521
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Energy: 1.4375189969126845
Energy: 1.3965779889988308
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Energy: 1.333039988776997
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Energy: 1.465739513151938
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Energy: 1.4533880007884548
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Energy: 1.3728254580518044
Energy: 1.3506021832034756
Energy: 1.3883771906603728
Energy: 1.3364840886266542
Energy: 1.4848793885367129
Energy: 1.366582686078075
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Energy: 1.3506021832031434
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Energy: 1.3364840886266542
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Energy: 1.4729153941598228
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Energy: 1.3290248601583825
Energy: 1.3751402505699568
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Energy: 1.367025550339931
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Energy: 1.4985069107195477
Energy: 1.3290248601587147
Energy: 1.4060724226842836
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Energy: 1.502383229406379
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Energy: 1.3702013135076245
Energy: 1.5157101831229762
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Energy: 1.3146608069943335
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Energy: 1.4682930852783564
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Energy: 1.2867308387472796
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Energy: 1.3140615702800615
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Energy: 1.4059455412103283
Energy: 1.3452203161596321
Energy: 1.365335934693324
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Energy: 1.3870552414170392
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Energy: 1.3452203161566425
Energy: 1.365335934693324
Energy: 1.396713132783424
Energy: 1.377516429019097
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Energy: 1.3184076865741807
Energy: 1.3347967542455652
Energy: 1.5140176634934353
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Energy: 1.377516429018433
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Energy: 1.318407686574513
Energy: 1.3347967542485544
Energy: 1.3779263438470308
Energy: 1.3842635250786497
Energy: 1.3096265423398825
Energy: 1.3699642325533434
Energy: 1.2840393786542994
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Energy: 1.3779263438457021
Energy: 1.3842635250779853
Energy: 1.3096265423402147
Energy: 1.3699642325530113
Energy: 1.434476708929769
Energy: 1.3349591460781147
Energy: 1.3675535955775238
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Energy: 1.4402358619236189
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Energy: 1.434476708929769
Energy: 1.334959146078447
Energy: 1.3675535955742026
Energy: 1.355803926060269
Energy: 1.407947125296498
Energy: 1.3259036714851673
Energy: 1.383233137833244
Energy: 1.361311481046942
Energy: 1.4605991311325093
Energy: 1.3362357293714953
Energy: 1.3902468248612794
Energy: 1.3259036714848351
Energy: 1.3832331378305867
Energy: 1.3613114810456135
Energy: 1.2990090275104085
Energy: 1.418397197279084
Energy: 1.319278342953918
Energy: 1.332150011899643
Energy: 1.3796082503957199
Energy: 1.4652709246218634
Energy: 1.2990090275110728
Energy: 1.4183971972797482
Energy: 1.3192783429545822
Energy: 1.3321500119003074
Energy: 1.474668613771706
Energy: 1.3553092967212192
Energy: 1.3789997073500426
Energy: 1.5566442235226492
Energy: 1.3801575118105147
Energy: 1.4257691116271503
Energy: 1.4746686137703777
Energy: 1.35530929671823
Energy: 1.378999707350707
Energy: 1.5566442235249742
Energy: 1.2828439119169845
Energy: 1.4742841125040207
Energy: 1.3780282680959868
Energy: 1.365989132952036
Energy: 1.469680771207725
Energy: 1.3765777623154976
Energy: 1.2828439119196418
Energy: 1.474284112504685
Energy: 1.3780282680956546
Energy: 1.3659891329523681
Energy: 1.3314372400145644
Energy: 1.3791033921770612
Energy: 1.3398854513041834
Energy: 1.3688221256526565
Energy: 1.355541606936875
Energy: 1.4784061503741177
Energy: 1.3314372400208447
Energy: 1.3791033921770612
Energy: 1.6923010611445952
Energy: 1.3688221256509956
Energy: 1.4645835183655087
Energy: 1.3795510337635755
Energy: 1.357539217357774
Energy: 1.3068494221509448
Energy: 1.3933321849406037
Energy: 1.3689479939314069
Energy: 1.4645835183728155
Energy: 1.3795510337639074
Energy: 1.3575392173591025
Energy: 1.3068494221509448
Energy: 1.289526087718898
Energy: 1.434555333579466
Energy: 1.366876542895327
Energy: 1.3726993161081331
Energy: 1.3612864667762548
Energy: 1.4029407485016656
Energy: 1.2895260877179018
Energy: 1.434555333577141
Energy: 1.3668765428963234
Energy: 1.372699316110458
Energy: 1.289851387487876
Energy: 1.4389605494406734
Energy: 1.3505036116957678
Energy: 1.376035071934709
Energy: 1.32599181057905
Energy: 1.3612921002918275
Energy: 1.2898513874882083
Energy: 1.438960549442666
Energy: 1.3505036116941074
Energy: 1.3760350719353733
Energy: 1.45862064655327
Energy: 1.2977444775753146
Energy: 1.3852302893047408
Energy: 1.2955303573910228
Energy: 1.3823552420096152
Energy: 1.378929089858122
Energy: 1.5065100123862623
Energy: 1.2977444775753146
Energy: 1.3852302893034123
Energy: 1.2955303573910228
Energy: 1.4276557722863465
Energy: 1.4533789425265555
Energy: 1.3514978342450497
Energy: 1.3220934990854019
Energy: 1.3858905458144912
Energy: 1.3791470397601004
Energy: 1.427655772292325
Energy: 1.4533789425229022
Energy: 1.3514978342457138
Energy: 1.322093499085734
Energy: 1.3492348479940843
Energy: 1.384944688263484
Energy: 1.4572555553975937
Energy: 1.373355832272244
Energy: 1.378994547607934
Energy: 1.4730662110013504
Energy: 1.34923484799342
Energy: 1.3849446882615213
Energy: 1.457255555398258
Energy: 1.3733558322712476
Energy: 1.4471125259795061
Energy: 1.3852831327418016
Energy: 1.4400832493425089
Energy: 1.5442535247654705
Energy: 1.3807396775863103
Energy: 1.3550593099999273
Energy: 1.447112525978842
Energy: 1.385283132742466
Energy: 1.440083249343173
Energy: 1.5442535247628133
Energy: 1.3469994259780511
Energy: 1.4574039880247234
Energy: 1.351453601275029
Energy: 1.3325685193492378
Energy: 1.3215926350397347
Energy: 1.3916382927166262
Energy: 1.3469994259793796
Energy: 1.457403988023727
Energy: 1.3514536012740324
Energy: 1.3325685193482415
Energy: 1.3698669693574932
Energy: 1.3360975781827664
Energy: 1.4998979236608398
Energy: 1.3655917134776558
Energy: 1.3833522647452583
Energy: 1.324124280693588
Energy: 1.3698669693578254
Energy: 1.3360975781817699
Energy: 1.499897923663497
Energy: 1.365591713477988
Energy: 1.380543222262148
Energy: 1.281998688095766
Energy: 1.488979776959831
Energy: 1.3487882112175202
Energy: 1.373205684599192
Energy: 1.3299471431293326
Energy: 1.38054322226713
Energy: 1.2819986880960983
Energy: 1.4889797769601631
Energy: 1.3487882112165241
Energy: 1.3477338671128334
Energy: 1.4215623407668498
Energy: 1.2848211013648565
Energy: 1.310470161323867
Energy: 1.3110083538861297
Energy: 1.374309649341599
Energy: 1.3477338671144943
Energy: 1.4215623408199605
Energy: 1.2848211013651885
Energy: 1.3104701613251954
Energy: 1.3721767681727015
Energy: 1.4983261357862543
Energy: 1.455899484222638
Energy: 1.368136121317448
Energy: 1.3181661639499114
Energy: 1.4054612806511482
Energy: 1.3721767681727015
Energy: 1.498326135785258
Energy: 1.4558994842203132
Energy: 1.3681361213184446
Energy: 1.4076693606186534
Energy: 1.3606458289046268
Energy: 1.4441895202696253
Energy: 1.4300270685173142
Energy: 1.361229470995162
Energy: 1.319924344141455
Energy: 1.4076693606203141
Energy: 1.3606458289049592
Energy: 1.4441895202692931
Energy: 1.4300270685173142
Energy: 1.2902233192789216
Energy: 1.4003676605425839
Energy: 1.3856357942458768
Energy: 1.437274853176597
Energy: 1.4392379418878065
Energy: 1.3669909072017006
Energy: 1.2902233192835717
Energy: 1.4003676605409232
Energy: 1.3856357942455446
Energy: 1.4372748531775934
Energy: 1.366772315149788
Energy: 1.3623751999602034
Energy: 1.3883053144456103
Energy: 1.3279087400451082
Energy: 1.4719638746560435
Energy: 1.312307829112348
Energy: 1.3667723151494557
Energy: 1.3623751999605351
Energy: 1.3883053144459423
Energy: 1.3279087400454401
Energy: 1.3224636492009778
Energy: 1.3523157289447527
Energy: 1.4601418829950865
Energy: 1.544712725420825
Energy: 1.3620828465243604
Energy: 1.4433753237533569
Energy: 1.3224636492042992
Energy: 1.3523157289467453
Energy: 1.4601418829940902
Energy: 1.5447127254221538
Energy: 1.2971614960583957
Energy: 1.328268180866777
Energy: 1.3327625031134869
Energy: 1.5150469856853725
Energy: 1.403704985589611
Energy: 1.3621816342085988
Energy: 1.2971614960583957
Energy: 1.3282681808684373
Energy: 1.3327625031118262
Energy: 1.5150469857089235
Energy: 1.3748980444186794
Energy: 1.3487638519408673
Energy: 1.4613789059909292
Energy: 1.2893101970990564
Energy: 1.3795367308601463
Energy: 1.2957638947784902
Energy: 1.3748980444173504
Energy: 1.3487638519398712
Energy: 1.461378905990597
Energy: 1.2893101970993885

minimum gb energy = 1.281998688095766 eV
minimum distance =  2.25303863895779 Angstroms
sigma value = 437


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

Energy: 1.3972669497490575
Energy: 1.47171554707241
Energy: 1.3804079001722036
Energy: 1.7973637095444837
Energy: 1.3802288522866675
Energy: 1.3616398539234493
Energy: 1.3972669497490575
Energy: 1.4717155470712
Energy: 1.3804079001685736
Energy: 1.5768073157722273
Energy: 1.4057350724136424
Energy: 1.7443547496899616
Energy: 1.3317969572132837
Energy: 1.3471406546113023
Energy: 1.5326277317114212
Energy: 1.3453664763276194
Energy: 1.4057350724160627
Energy: 1.7443547496899616
Energy: 1.3317969572181236
Energy: 1.3471406546113023
Energy: 1.3494975172145414
Energy: 1.3635251194802462
Energy: 1.4854870098296449
Energy: 1.3556307371349257
Energy: 1.413429329237105
Energy: 1.3606347666608274
Energy: 1.3494975172133317
Energy: 1.3635251194766158
Energy: 1.485487009903456
Energy: 1.3556307371337155
Energy: 1.7095364058820002
Energy: 1.329286131004246
Energy: 1.3518727080286186
Energy: 1.3078857123466157
Energy: 1.3567904565898756
Energy: 1.328373449837526
Energy: 1.7095364058807903
Energy: 1.3292861310090862
Energy: 1.3518727080298285
Energy: 1.3078857123490357
Energy: 1.3364235317589848
Energy: 1.366693704137942
Energy: 1.3616040903435938
Energy: 1.4177879934171425
Energy: 1.2861872714913785
Energy: 1.3141212041148882
Energy: 1.3364235317541995
Energy: 1.5175207485876547
Energy: 1.3616040903448035
Energy: 1.4177879934159328
Energy: 1.337169753365287
Energy: 1.440269454234444
Energy: 1.3443345793159909
Energy: 1.322909098901866
Energy: 1.320931264192211
Energy: 1.4496944609957851
Energy: 1.337169753366497
Energy: 1.4402694542356542
Energy: 1.3443345793123609
Energy: 1.322909098900656
Energy: 1.6396070866164891
Energy: 1.3559462581018393
Energy: 1.4113044106321622
Energy: 1.3059392525561306
Energy: 1.586232999743554
Energy: 1.3405195586417762
Energy: 1.639607086614069
Energy: 1.355946258105469
Energy: 1.411304410633372
Energy: 1.3059392525585507
Energy: 1.3521192028134437
Energy: 1.3458408102076769
Energy: 1.332531624686486
Energy: 1.3095847704627717
Energy: 1.4850202693491603
Energy: 1.329081600943868
Energy: 1.3521192028146536
Energy: 1.3458408102088866
Energy: 1.332531624690116
Energy: 1.309584770461562
Energy: 1.3117430589463073
Energy: 1.4194504425754473
Energy: 1.6808623780678784
Energy: 1.3385259698423018
Energy: 1.3799062364984862
Energy: 1.4823364664591026
Energy: 1.3117430589438872
Energy: 1.4194504425766572
Energy: 1.6808623780654584
Energy: 1.3385259698447218
Energy: 1.482563511539166
Energy: 1.3291391899223965
Energy: 1.3266480826533467
Energy: 1.4216325597686108
Energy: 1.3330498217275233
Energy: 1.5446955455403866
Energy: 1.482563511542796
Energy: 1.3291391899236065
Energy: 1.3266480826533467
Energy: 1.4216325597686108
Energy: 1.574132074513242
Energy: 1.3065730300268752
Energy: 1.3341015598864956
Energy: 1.3488618660917528
Energy: 1.4176702246385882
Energy: 1.332437458041238
Energy: 1.574132074513242
Energy: 1.3065730300268752
Energy: 1.3341015598877057
Energy: 1.348861866090543
Energy: 1.3001195238219385
Energy: 1.3431656313423017
Energy: 1.557008744561148
Energy: 1.3091309704695584
Energy: 1.5562577147130887
Energy: 1.3433859560867862
Energy: 1.3001195238195185
Energy: 1.3431656313423017
Energy: 1.557008744561148
Energy: 1.309130970471978
Energy: 1.5741947215758223
Energy: 1.3325295187121378
Energy: 1.4176702246397979
Energy: 1.3488933932297626
Energy: 1.334039838178268
Energy: 1.3065215449649388
Energy: 1.5741947215758223
Energy: 1.3325295187133477
Energy: 1.4176702246361679
Energy: 1.3488933932273426
Energy: 1.4929532060953579
Energy: 1.5438198019805789
Energy: 1.3330983605056543
Energy: 1.4216509173073835
Energy: 1.3447151039610135
Energy: 1.3291455339497824
Energy: 1.4929532060941477
Energy: 1.5438198019805789
Energy: 1.3330983605080744
Energy: 1.4216509173073835

minimum gb energy = 1.2861872714913785 eV
minimum distance =  2.24117179400089 Angstroms
sigma value = 33