Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.523999392986298
cohesive_energy=4.440349230729681
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.022136237641795457
Energy: 0.6325448255954804
Energy: 0.6243924888480363
Energy: 0.6325044369433429
Energy: 0.022136237641795457
Energy: 0.6325448255954804
Energy: 0.34972131245468036
Energy: 0.6236556969767187
Energy: 0.02241047929717166
Energy: 0.36632963540688684
Energy: 0.022426362290946304
Energy: 0.6236556969767187
Energy: 0.02241047929717166
Energy: 0.36632963540688684
Energy: 0.022136237641795457
Energy: 0.6325448255954804
Energy: 0.6243924888480363
Energy: 0.6325044369433429
Energy: 0.022136237644430127
Energy: 0.6325448255954804
Energy: 0.34972131245468036
Energy: 0.6236556969767187
Energy: 0.02241047929717166
Energy: 0.36632963540688684
Energy: 0.022426362290946304
Energy: 0.6236556969767187
Energy: 0.02241047929717166
Energy: 0.36632963540688684
Energy: 0.022136237641795457
Energy: 0.6325448255954804
Energy: 0.6243924888480363
Energy: 0.6325044369433429
Energy: 0.022136237644430127
Energy: 0.6325448255954804
Energy: 0.34972131245468036
Energy: 0.6236556969767187
Energy: 0.02241047929717166
Energy: 0.36632963540688684
Energy: 0.022426362290946304
Energy: 0.6236556969767187
Energy: 0.02241047929717166
Energy: 0.36632963540688684

minimum gb energy = 0.022136237641795457 eV
minimum distance =  2.47300265186274 Angstroms
sigma value = 5


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

Energy: 1.4589313525545191
Energy: 1.3492897672993163
Energy: 1.4346424990329059
Energy: 1.3486820996905504
Energy: 1.4589313525545191
Energy: 1.3492897673025352
Energy: 1.4346424990329059
Energy: 1.3369628154926472
Energy: 1.3469146740341553
Energy: 1.419285153765774
Energy: 1.368524039357025
Energy: 1.3369628154926472
Energy: 1.3469146740309363
Energy: 1.419285153765774
Energy: 1.3288199232826892
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Energy: 1.3389710878988907
Energy: 1.328819923285908
Energy: 1.3295161319306674
Energy: 1.4098927860782369
Energy: 1.4441054995130382
Energy: 1.3552339578293215
Energy: 1.3882516372646725
Energy: 1.368819252469698
Energy: 1.4441054995130382
Energy: 1.3552339578293215
Energy: 1.3882516372646725
Energy: 1.3429766836315558
Energy: 1.3177909731877973
Energy: 1.437712819015397
Energy: 1.3191300270719961
Energy: 1.342976683628337
Energy: 1.3177909731877973
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Energy: 1.360761085654341
Energy: 1.391431088811417
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Energy: 1.386633700929055
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Energy: 1.324609868184513
Energy: 1.3537029576548707
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Energy: 1.324609868184513
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Energy: 1.3257645840065064
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Energy: 1.4055994918493795
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Energy: 1.3927667838949445
Energy: 1.3659842145537993
Energy: 1.3415398656132833
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Energy: 1.3276200543699936
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Energy: 1.40065638464318
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Energy: 1.4197396589532858
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Energy: 1.347911498579191
Energy: 1.347878211727717
Energy: 1.4197396589532858
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Energy: 1.3247158174222438
Energy: 1.391541688447589
Energy: 1.3377587061586642
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Energy: 1.3247158174222438
Energy: 1.391541688447589
Energy: 1.3979463844315871
Energy: 1.4142942534543168
Energy: 1.351106802139325
Energy: 1.405053584397894
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Energy: 1.3920327486420372
Energy: 1.3506563752129614
Energy: 1.48165960660991
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Energy: 1.3920327486420372
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Energy: 1.48165960660991
Energy: 1.324030025203804
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Energy: 1.3276425987647529
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Energy: 1.3276425987647529
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Energy: 1.3246836149705614
Energy: 1.3317907626602357
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Energy: 1.3062912603858126
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Energy: 1.3731353876206702
Energy: 1.3407427388474706
Energy: 1.3062912603858126
Energy: 1.3670039037474153
Energy: 1.3731353876206702
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Energy: 1.471041472142125
Energy: 1.315385439270838
Energy: 1.3271693800392765
Energy: 1.3355623205261011
Energy: 1.471041472142125
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Energy: 1.3678901913096888
Energy: 1.3882984303224246
Energy: 1.3685171988552125
Energy: 1.3848745276849412
Energy: 1.3678901913096888
Energy: 1.3882984303224246
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Energy: 1.353590238377524
Energy: 1.399309685306308
Energy: 1.3503206634913552
Energy: 1.4047886228669006
Energy: 1.3535902383807428
Energy: 1.399309685306308
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Energy: 1.3499545337448269
Energy: 1.367646593770202
Energy: 1.4052753971815584
Energy: 1.4035171057035274
Energy: 1.3499545337448269
Energy: 1.367646593770202
Energy: 1.4041658469496163
Energy: 1.329895242495489
Energy: 1.353667155977269
Energy: 1.3514833687745746
Energy: 1.4041658469496163
Energy: 1.329895242495489
Energy: 1.353667155977269
Energy: 1.459091639905598
Energy: 1.3673690674625985
Energy: 1.379090375448093
Energy: 1.4215339451986917
Energy: 1.459091639905598
Energy: 1.367369067465817
Energy: 1.379090375448093
Energy: 1.3969709152710756
Energy: 1.349267134856249
Energy: 1.4280816943559376
Energy: 1.3302523811218543
Energy: 1.3969709152710756
Energy: 1.3492671348530303
Energy: 1.4280816943559376
Energy: 1.3065642536429547
Energy: 1.360432701300684
Energy: 1.4684919242525312
Energy: 1.3599819753844915
Energy: 1.3065642536429547
Energy: 1.360432701300684
Energy: 1.4684919242525312
Energy: 1.34202580690013
Energy: 1.4077832534219712
Energy: 1.4556670144328483
Energy: 1.4086810669441832
Energy: 1.34202580690013
Energy: 1.4077832534219712
Energy: 1.4556670144328483
Energy: 1.3058911543670875
Energy: 1.3390157599841281
Energy: 1.423451166950954
Energy: 1.3396884951861188
Energy: 1.3058911543670875
Energy: 1.3390157599841281
Energy: 1.423451166950954

minimum gb energy = 1.3058911543670875 eV
minimum distance =  2.21173171067738 Angstroms
sigma value = 401


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

Energy: 1.3825477421443257
Energy: 1.387071944343044
Energy: 1.3550354077652802
Energy: 1.3818222425173838
Energy: 1.3825477421443257
Energy: 1.387071944343044
Energy: 1.3550354077652802
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Energy: 1.3384685243254415
Energy: 1.3904678187648993
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Energy: 1.356988118474111
Energy: 1.3661014511832446
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Energy: 1.3371541026586864
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Energy: 1.3686461384991373
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Energy: 1.3477413041752655
Energy: 1.4509724143905673
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Energy: 1.3825477421479795
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Energy: 1.3904678187648993
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Energy: 1.3238542771007247
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Energy: 1.3904678187648993
Energy: 1.318670128032401
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Energy: 1.318670128032401
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Energy: 1.444799761161753
Energy: 1.3417643894737075
Energy: 1.356988118474111
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Energy: 1.3408008630427795
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Energy: 1.3516637329705183
Energy: 1.470207443663383
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Energy: 1.343550034864734
Energy: 1.3798998969305274
Energy: 1.3511267572558991
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Energy: 1.343550034864734
Energy: 1.3798998969305274
Energy: 1.3126032598870492
Energy: 1.3811007892087566
Energy: 1.3488455838783013
Energy: 1.3407865664135092
Energy: 1.3126032598870492
Energy: 1.3811007892124103
Energy: 1.3488455838783013
Energy: 1.3123392387169908
Energy: 1.3327262510976603
Energy: 1.3369771587185209
Energy: 1.3631705593518881
Energy: 1.3123392387169908
Energy: 1.3327262510976603
Energy: 1.3369771587185209
Energy: 1.3188548702508607
Energy: 1.3418220764876385
Energy: 1.4243225003699265
Energy: 1.343521866040597
Energy: 1.3188548702545142
Energy: 1.3418220764876385
Energy: 1.4243225003662727
Energy: 1.357330517662257
Energy: 1.3798841571613907
Energy: 1.412251677524984
Energy: 1.3375097362103354
Energy: 1.357330517662257
Energy: 1.3798841571613907
Energy: 1.412251677528638
Energy: 1.357004116856539
Energy: 1.3971101617893948
Energy: 1.4481163655310034
Energy: 1.3371541026586864
Energy: 1.357004116856539
Energy: 1.3971101617893948
Energy: 1.4481163655310034
Energy: 1.3180584935010449
Energy: 1.348092653345016
Energy: 1.4461590536199853
Energy: 1.3530358287205235
Energy: 1.3180584935010449
Energy: 1.3480926533413622
Energy: 1.4461590536199853
Energy: 1.3312287196977886
Energy: 1.3477413041752655
Energy: 1.4509724143905673
Energy: 1.347581732450851
Energy: 1.3312287196977886
Energy: 1.347741304171612
Energy: 1.4509724143905673
Energy: 1.3337880100885096
Energy: 1.387071944343044
Energy: 1.3550354077652802
Energy: 1.3818222425173838
Energy: 1.3337880100848558
Energy: 1.387071944343044
Energy: 1.3550354077652802
Energy: 1.3238542771007247
Energy: 1.3384685243254415
Energy: 1.3904678187612456
Energy: 1.3607764064050345
Energy: 1.3238542771007247
Energy: 1.3384685243218541
Energy: 1.3904678187612456

minimum gb energy = 1.3123392387169908 eV
minimum distance =  2.21398033284338 Angstroms
sigma value = 311


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

Energy: 1.4353032578522829
Energy: 1.3697695011513846
Energy: 1.4624981597121294
Energy: 1.3702033405977987
Energy: 1.4353032578531266
Energy: 1.3697695011509627
Energy: 1.4849959633284016
Energy: 1.41362391315671
Energy: 1.4018286051042481
Energy: 1.3952784792138082
Energy: 1.364860170180728
Energy: 1.413623913156288
Energy: 1.4018286051042481
Energy: 1.3952784792133865
Energy: 1.3929471005808338
Energy: 1.418586132038962
Energy: 1.4749229222980145
Energy: 1.3709992504095014
Energy: 1.3929471005804117
Energy: 1.41858613203854
Energy: 1.4749229222980145
Energy: 1.362861021902285
Energy: 1.3622384541239583
Energy: 1.5016051695215196
Energy: 1.3647322616390118
Energy: 1.362861021902285
Energy: 1.3622384541235364
Energy: 1.5016051695215196
Energy: 1.4188604303490426
Energy: 1.3793874359785705
Energy: 1.4770545786452782
Energy: 1.4007267081447203
Energy: 1.4188604303486205
Energy: 1.3793874359781488
Energy: 1.4770545786452782
Energy: 1.381416208944166
Energy: 1.3412253224518782
Energy: 1.4251987256828373
Energy: 1.3966033203756463
Energy: 1.381416208944166
Energy: 1.3412253224518782
Energy: 1.4251987256832592
Energy: 1.3901270108182238
Energy: 1.393603772101829
Energy: 1.4089942520926733
Energy: 1.4056135490861885
Energy: 1.3901270108178017
Energy: 1.3936037721026728
Energy: 1.3869603889248237
Energy: 1.3630904699237039
Energy: 1.3703653306219707
Energy: 1.482717244998189
Energy: 1.3693047888961702
Energy: 1.3630904699245476
Energy: 1.3703653306228145
Energy: 1.482717244997767
Energy: 1.3683805803120563
Energy: 1.3622972045011166
Energy: 1.4808915100711768
Energy: 1.3872196315452834
Energy: 1.3683805803116342
Energy: 1.3622972045011166
Energy: 1.4808915100711768
Energy: 1.3693922727650425
Energy: 1.411753455122713
Energy: 1.4361362147954138
Energy: 1.3711389593860008
Energy: 1.3693922727650425
Energy: 1.4117534551235569
Energy: 1.4361362147962575
Energy: 1.4345464899665215
Energy: 1.3600707878853036
Energy: 1.4293683588846362
Energy: 1.3414499949994239
Energy: 1.434546489966943
Energy: 1.3600707878844982
Energy: 1.4293683588846362
Energy: 1.4165235268449248
Energy: 1.4126560291469314
Energy: 1.4365787247386008
Energy: 1.407973929830586
Energy: 1.4165235268449248
Energy: 1.4126560291473533
Energy: 1.4365787247381792
Energy: 1.3986568412919156
Energy: 1.353763132134224
Energy: 1.4576281873585417
Energy: 1.3664260573292852
Energy: 1.3986568412914935
Energy: 1.3537631321346455
Energy: 1.4576281873576977
Energy: 1.3662568843014875
Energy: 1.4052347928637836
Energy: 1.4342617341023927
Energy: 1.4099611767231077
Energy: 1.3662568843010658
Energy: 1.4052347928637836
Energy: 1.4342617341023927
Energy: 1.423598029304146
Energy: 1.366523006182708
Energy: 1.4588766242670832
Energy: 1.3392973696264459
Energy: 1.4235980293045678
Energy: 1.366523006182708
Energy: 1.4588766242666613
Energy: 1.4166606861544613
Energy: 1.3954047726073062
Energy: 1.436416195371299
Energy: 1.4128846287563197
Energy: 1.4166606861540396
Energy: 1.3954047726068843
Energy: 1.4364161953717207
Energy: 1.4191582765687127
Energy: 1.3413986838066894
Energy: 1.4035867004706832
Energy: 1.4077486010576858
Energy: 1.4191582765691346
Energy: 1.3413986838075331
Energy: 1.4035867004698395
Energy: 1.3688336561440015
Energy: 1.3931968834315545
Energy: 1.3935225292631594
Energy: 1.4117305270508163
Energy: 1.3688336561435797
Energy: 1.3931968834323984
Energy: 1.3935225292631594
Energy: 1.3676674724469262
Energy: 1.3700046244936823
Energy: 1.4877397490728375
Energy: 1.369072812804682
Energy: 1.3676674724469262
Energy: 1.3700046244936823
Energy: 1.4573550410886416
Energy: 1.3812003118725797
Energy: 1.361950235881959
Energy: 1.412591318006463
Energy: 1.3889139986218488
Energy: 1.3812003118730014
Energy: 1.361950235881537
Energy: 1.4125913180060414
Energy: 1.3896299646336983
Energy: 1.4055312770695216
Energy: 1.429749036677711
Energy: 1.3719309648507128
Energy: 1.389629964634542
Energy: 1.4055312770695216
Energy: 1.4297490366772894
Energy: 1.3826830805115964
Energy: 1.361501712398239
Energy: 1.430381903247979
Energy: 1.3414274713242926
Energy: 1.382683080512018
Energy: 1.361501712398239
Energy: 1.4303819032488225
Energy: 1.4190046722128413
Energy: 1.4007052938120046
Energy: 1.3851739508856689
Energy: 1.379334118447517
Energy: 1.4190046722128413
Energy: 1.4007052938124265
Energy: 1.3656637298823089
Energy: 1.3632087435361122
Energy: 1.3550735449500904
Energy: 1.517226936843877
Energy: 1.3622283020522086
Energy: 1.3632087435365343
Energy: 1.3550735449500904
Energy: 1.517226936843877
Energy: 1.3666124220180076
Energy: 1.3712268971475898
Energy: 1.525272520162539
Energy: 1.4065710686056014
Energy: 1.3666124220184295
Energy: 1.3712268971471677
Energy: 1.5074590878737693
Energy: 1.3891211130241747
Energy: 1.3648861365943852
Energy: 1.42132441606464
Energy: 1.3440260296641593
Energy: 1.3891211130245968
Energy: 1.3648861365943852
Energy: 1.42132441606464
Energy: 1.435212402277438
Energy: 1.378184774068521
Energy: 1.4730339122136114
Energy: 1.3697209031871278
Energy: 1.4352124022791255
Energy: 1.3781847740689428
Energy: 1.501563772187034
Energy: 1.4396748798586527
Energy: 1.3423178125609503
Energy: 1.3890615487643962
Energy: 1.406418452029178
Energy: 1.439674879858231
Energy: 1.3423178125596849
Energy: 1.3890615487648181
Energy: 1.3941090028369705
Energy: 1.4223916214014791
Energy: 1.4420972157467056
Energy: 1.3680131446102424
Energy: 1.3941090028365484
Energy: 1.422391621401901
Energy: 1.4420972157467056
Energy: 1.3628540018129256
Energy: 1.383629699247132
Energy: 1.4649076740123927
Energy: 1.3402764785988317
Energy: 1.362854001812082
Energy: 1.3836296992475536
Energy: 1.4649076740136584
Energy: 1.4060854259277709
Energy: 1.3794862282708513
Energy: 1.4381722315338643
Energy: 1.4005382051645534
Energy: 1.4060854259277709
Energy: 1.3794862282695857
Energy: 1.4358025475519784
Energy: 1.3625577412484182
Energy: 1.3412307762711382
Energy: 1.4271123176306098
Energy: 1.3947370576035394
Energy: 1.3625577412484182
Energy: 1.3412307762711382
Energy: 1.4271123176301879
Energy: 1.3874808661419298
Energy: 1.3711093832645802
Energy: 1.4023002114758085
Energy: 1.4185906058130855
Energy: 1.3874808661423517
Energy: 1.371109383265002
Energy: 1.397183750883882
Energy: 1.3814902248040528
Energy: 1.3649862392286383
Energy: 1.4803843823827292
Energy: 1.3621028753683369
Energy: 1.3814902248040528
Energy: 1.3649862392282164
Energy: 1.4803843823831513
Energy: 1.3626908583531292
Energy: 1.3621115138008155
Energy: 1.510656393527892
Energy: 1.3640944420667596
Energy: 1.3626908583518633
Energy: 1.3621115138008155
Energy: 1.4813774193065399
Energy: 1.3693475382603992
Energy: 1.4155627273325746
Energy: 1.4585192462255272
Energy: 1.371769714078653
Energy: 1.3693475382603992
Energy: 1.4155627273325746
Energy: 1.4585192462251055

minimum gb energy = 1.3392973696264459 eV
minimum distance =  2.232659337349 Angstroms
sigma value = 39


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

Energy: 1.3741479296531391
Energy: 1.4008349206190756
Energy: 1.4450829510125518
Energy: 1.4007972100274235
Energy: 1.374147929654135
Energy: 1.4008349206200712
Energy: 1.445082951011556
Energy: 1.3567243293453684
Energy: 1.4072724625705346
Energy: 1.3464377068400881
Energy: 1.4070136261174124
Energy: 1.3567243293458664
Energy: 1.4072724625715305
Energy: 1.346437706841084
Energy: 1.374124283361122
Energy: 1.2854315728572179
Energy: 1.4118836025588255
Energy: 1.3551923382051707
Energy: 1.3741242833616198
Energy: 1.285431572857716
Energy: 1.4118836025598214
Energy: 1.3710709635302836
Energy: 1.4072533543798247
Energy: 1.3467501712319723
Energy: 1.41647205426138
Energy: 1.3710709635317775
Energy: 1.4072533543793269
Energy: 1.3467501712324703
Energy: 1.4429978720512098
Energy: 1.3583672892666432
Energy: 1.355832361717135
Energy: 1.3554793178561833
Energy: 1.4429978720502137
Energy: 1.3583672892661451
Energy: 1.355832361717135
Energy: 1.3712266547699483
Energy: 1.3806061228160833
Energy: 1.4565929473269181
Energy: 1.4163407213006995
Energy: 1.3712266547699483
Energy: 1.3806061228155853
Energy: 1.456592947327416
Energy: 1.4956792377132992
Energy: 1.3578737583073857
Energy: 1.367220268951311
Energy: 1.3576071951823003
Energy: 1.495679237713797
Energy: 1.35787375830639
Energy: 1.3389522620488077
Energy: 1.3857195141837384
Energy: 1.313455477080396
Energy: 1.5156105476175297
Energy: 1.3133850183350397
Energy: 1.3857195141837384
Energy: 1.3134554770789022
Energy: 1.5156105476175297
Energy: 1.4953403730317074
Energy: 1.3575462049624794
Energy: 1.369720320314472
Energy: 1.358072517478636
Energy: 1.49534037302872
Energy: 1.357546204963973
Energy: 1.3697203203114847
Energy: 1.3712627330346239
Energy: 1.4166881941021008
Energy: 1.4566619532665166
Energy: 1.3805661385769232
Energy: 1.3712627330346239
Energy: 1.4166881941016027
Energy: 1.4566619532665166
Energy: 1.4429709149071577
Energy: 1.3553347192801415
Energy: 1.3567092084219448
Energy: 1.3581554355863112
Energy: 1.4429709149086514
Energy: 1.3553347192761582
Energy: 1.3572410421648515
Energy: 1.3711593851452089
Energy: 1.4165852881126189
Energy: 1.3465683953258627
Energy: 1.407207554261619
Energy: 1.3711593851452089
Energy: 1.416585288112121
Energy: 1.3465683953268586
Energy: 1.374106579810677
Energy: 1.3553068533692398
Energy: 1.4157659889397518
Energy: 1.2854631789271247
Energy: 1.374106579810179
Energy: 1.355306853368742
Energy: 1.4157659889407477
Energy: 1.3569841066789579
Energy: 1.4072970784156946
Energy: 1.3468006840365485
Energy: 1.4072393746568677
Energy: 1.3569841066794557
Energy: 1.4072970784156946
Energy: 1.3468006840365485
Energy: 1.3741479296516455
Energy: 1.4008349206190756
Energy: 1.4450829510130498
Energy: 1.4007972100269257
Energy: 1.374147929654135
Energy: 1.400834920620569
Energy: 1.445082951011556
Energy: 1.3567243293448705
Energy: 1.4072724625705346
Energy: 1.346437706840586
Energy: 1.4070136261174124
Energy: 1.3567243293458664
Energy: 1.4072724625715305
Energy: 1.3464377068415818
Energy: 1.374124283360624
Energy: 1.2854315728582137
Energy: 1.4118836025593235
Energy: 1.3551923382051707
Energy: 1.374124283361122
Energy: 1.2854315728592098
Energy: 1.4118836025593235
Energy: 1.3710709635302836
Energy: 1.4072533543798247
Energy: 1.3467501712319723
Energy: 1.41647205426138
Energy: 1.3710709635317775
Energy: 1.4072533543798247
Energy: 1.3467501712324703
Energy: 1.4429978720527032
Energy: 1.3583672892671408
Energy: 1.3558323617166372
Energy: 1.3554793178522002
Energy: 1.4429978720527032
Energy: 1.3583672892661451
Energy: 1.3558323617166372
Energy: 1.3712266547694505
Energy: 1.3806061228165811
Energy: 1.4565929473269181
Energy: 1.4163407213006995
Energy: 1.3712266547689524
Energy: 1.3806061228155853
Energy: 1.4565929473269181
Energy: 1.495679237714295
Energy: 1.3578737583073857
Energy: 1.3389522620498036
Energy: 1.3576071951818023
Energy: 1.495679237714295
Energy: 1.35787375830639
Energy: 1.33895226204831
Energy: 1.3857195141837384
Energy: 1.3134554770798983
Energy: 1.5156105476170316
Energy: 1.3133850183350397
Energy: 1.3857195141837384
Energy: 1.3134554770784044
Energy: 1.5156105476175297
Energy: 1.495340373029716
Energy: 1.3575462049624794
Energy: 1.369720320313974
Energy: 1.358072517478636
Energy: 1.4953403730292179
Energy: 1.357546204963973
Energy: 1.3697203203119823
Energy: 1.3712627330351217
Energy: 1.4166881941021008
Energy: 1.4566619532665166
Energy: 1.3805661385769232
Energy: 1.3712627330356197
Energy: 1.4166881941011051
Energy: 1.4566619532660185
Energy: 1.4429709149086514
Energy: 1.3553347192801415
Energy: 1.3328162692412269
Energy: 1.3581554355868093
Energy: 1.442970914909647
Energy: 1.3553347192791456
Energy: 1.332816269241725
Energy: 1.3711593851452089
Energy: 1.4165852881126189
Energy: 1.3465683953253649
Energy: 1.407207554261619
Energy: 1.3711593851452089
Energy: 1.4165852881126189
Energy: 1.3465683953263605
Energy: 1.3741065798096812
Energy: 1.3553068533682442
Energy: 1.4157659889397518
Energy: 1.2854631789266269
Energy: 1.3741065798091834
Energy: 1.355306853368742
Energy: 1.4157659889412455
Energy: 1.3569841066784598
Energy: 1.4072970784156946
Energy: 1.3468006840350544
Energy: 1.4072393746573655
Energy: 1.3569841066789579
Energy: 1.4072970784161927
Energy: 1.3468006840360505
Energy: 1.3741479296516455
Energy: 1.4008349206190756
Energy: 1.4450829510140455
Energy: 1.4007972100269257
Energy: 1.3741479296526413
Energy: 1.4008349206200712
Energy: 1.4450829510125518
Energy: 1.3567243293453684
Energy: 1.4072724625710327
Energy: 1.3464377068435733
Energy: 1.4070136261169146
Energy: 1.3567243293458664
Energy: 1.4072724625715305
Energy: 1.3464377068435733

minimum gb energy = 1.2854315728572179 eV
minimum distance =  2.28636431324493 Angstroms
sigma value = 21


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

Energy: 1.426827968046825
Energy: 1.467215494751313
Energy: 1.4519645889363262
Energy: 1.4667478405135224
Energy: 1.426827968046825
Energy: 1.4672154947507083
Energy: 1.4519645889369306
Energy: 1.4565166847948934
Energy: 1.3707938392888421
Energy: 1.4006636768214455
Energy: 1.3706160994183925
Energy: 1.4565166847948934
Energy: 1.3707938392888421
Energy: 1.4006636768214455
Energy: 1.4270969209157658
Energy: 1.3564276832761835
Energy: 1.4281967135526712
Energy: 1.3649882236726139
Energy: 1.4270969209157658
Energy: 1.3564276832761835
Energy: 1.4281967135526712
Energy: 1.4570284685656767
Energy: 1.3708008653168107
Energy: 1.3626938211161683
Energy: 1.3760777348866018
Energy: 1.4570284685656767
Energy: 1.3708008653168107
Energy: 1.362693821116773
Energy: 1.3678118886452004
Energy: 1.3377417540803938
Energy: 1.4088102260566726
Energy: 1.3386876230461762
Energy: 1.3678118886452004
Energy: 1.3377417540803938
Energy: 1.4088102260560682
Energy: 1.4570116841980003
Energy: 1.3660162934710764
Energy: 1.4269954008656076
Energy: 1.3798176356470997
Energy: 1.4570116841980003
Energy: 1.3660162934710764
Energy: 1.4269954008692343
Energy: 1.4260893078496253
Energy: 1.3379974523912197
Energy: 1.4092848870005734
Energy: 1.3892807311546607
Energy: 1.4260893078496253
Energy: 1.3379974523912197
Energy: 1.4092848870005734
Energy: 1.429407535613073
Energy: 1.3621184147480307
Energy: 1.423037638243757
Energy: 1.3805648747587462
Energy: 1.429407535613073
Energy: 1.3621184147474263
Energy: 1.4230376382443615
Energy: 1.4260054754745644
Energy: 1.3785073181949035
Energy: 1.3456071524014188
Energy: 1.3394018862665307
Energy: 1.4260054754745644
Energy: 1.3785073181949035
Energy: 1.3456071524014188
Energy: 1.423373425234555
Energy: 1.3637658062843305
Energy: 1.3968168553530078
Energy: 1.3810004913667953
Energy: 1.423373425234555
Energy: 1.3637658062843305
Energy: 1.3968168553536124
Energy: 1.4396154696923742
Energy: 1.3812591093004623
Energy: 1.4187119201392842
Energy: 1.3924028269936886
Energy: 1.4396154696923742
Energy: 1.3812591093004623
Energy: 1.4187119201392842
Energy: 1.3035705864349518
Energy: 1.3400209915203714
Energy: 1.339103792565302
Energy: 1.3395413741146234
Energy: 1.3035705864349518
Energy: 1.3400209915203714
Energy: 1.339103792565302
Energy: 1.4392724162197805
Energy: 1.3880522235711727
Energy: 1.392053931164493
Energy: 1.3838004907735324
Energy: 1.4392724162197805
Energy: 1.3880522235711727
Energy: 1.3920539311638886
Energy: 1.3034724544010534
Energy: 1.3396933142929417
Energy: 1.424714655926666
Energy: 1.3391146277595416
Energy: 1.3034724544010534
Energy: 1.3396933142935463
Energy: 1.424714655926666
Energy: 1.4426376085588382
Energy: 1.3192967103320157
Energy: 1.3962167352526544
Energy: 1.3711047399526288
Energy: 1.4426376085588382
Energy: 1.3192967103320157
Energy: 1.3962167352526544
Energy: 1.303944854234237
Energy: 1.404448776130019
Energy: 1.3991182507427207
Energy: 1.408352813386262
Energy: 1.303944854234237
Energy: 1.40444877612881
Energy: 1.3991182507427207
Energy: 1.4423156923387432
Energy: 1.3196621285740464
Energy: 1.4292559452143472
Energy: 1.3718794527040445
Energy: 1.4423156923387432
Energy: 1.3196621285740464
Energy: 1.4292559452143472
Energy: 1.303337169891878
Energy: 1.38225967873145
Energy: 1.400217349648739
Energy: 1.4294206513220638
Energy: 1.303337169891878
Energy: 1.3822596787320547
Energy: 1.400217349648739
Energy: 1.427090115428189
Energy: 1.3194753790728442
Energy: 1.4910515901654469
Energy: 1.3738872522200378
Energy: 1.427090115428189
Energy: 1.3194753790728442
Energy: 1.4910515901654469
Energy: 1.3028275413266306
Energy: 1.4314840743113297
Energy: 1.406695631279051
Energy: 1.4314874527570096
Energy: 1.3028275413266306
Energy: 1.4314840743113297
Energy: 1.4066956312796555
Energy: 1.4270803057524124
Energy: 1.3739089681524435
Energy: 1.4910748963804372
Energy: 1.319456030875203
Energy: 1.4270803057530166
Energy: 1.3739089681524435
Energy: 1.4910748963810418
Energy: 1.3033133820256115
Energy: 1.4294201401149542
Energy: 1.4003203010378114
Energy: 1.3822891052200683
Energy: 1.3033133820256115
Energy: 1.4294201401149542
Energy: 1.4003203010378114
Energy: 1.4423280116410278
Energy: 1.3718699344737455
Energy: 1.4292862568147564
Energy: 1.3193936963505055
Energy: 1.4423280116410278
Energy: 1.3718699344737455
Energy: 1.4292862568147564
Energy: 1.3039286688005851
Energy: 1.4081713838713947
Energy: 1.3989737633399235
Energy: 1.404852085423165
Energy: 1.3039286688005851
Energy: 1.4081713838713947
Energy: 1.3989737633399235
Energy: 1.4425576893085073
Energy: 1.3716012078038409
Energy: 1.3781954521466135
Energy: 1.3196383364351063
Energy: 1.4425576893091114
Energy: 1.3716012078038409
Energy: 1.3781954521466135

minimum gb energy = 1.3028275413266306 eV
minimum distance =  2.25782702753102 Angstroms
sigma value = 113


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

Energy: 1.3930615046982582
Energy: 1.49207626003306
Energy: 1.4507986246910605
Energy: 1.49245379024573
Energy: 1.393061504701632
Energy: 1.49207626003306
Energy: 1.4507986246910605
Energy: 1.4505219571119188
Energy: 1.4280065121182957
Energy: 1.3553410307876173
Energy: 1.4277435338674611
Energy: 1.4505219571119188
Energy: 1.4280065121182957
Energy: 1.3553410307876173
Energy: 1.3851497070511318
Energy: 1.4179389391865886
Energy: 1.3959007770661382
Energy: 1.3942779374676477
Energy: 1.3851497070511318
Energy: 1.4179389391865886
Energy: 1.3959007770661382
Energy: 1.322856047814813
Energy: 1.4282442714835668
Energy: 1.3623406235164421
Energy: 1.4277665646135342
Energy: 1.322856047814813
Energy: 1.4282442714835668
Energy: 1.3623406235164421
Energy: 1.4388270181472522
Energy: 1.3524790456356282
Energy: 1.4096665154623809
Energy: 1.3558505700687074
Energy: 1.4388270181472522
Energy: 1.3524790456356282
Energy: 1.4096665154623809
Energy: 1.3218398685052997
Energy: 1.3587032697873662
Energy: 1.401317698973039
Energy: 1.3738759451215947
Energy: 1.3218398685052997
Energy: 1.3587032697873662
Energy: 1.4013176989696656
Energy: 1.3627939068282264
Energy: 1.3526975559405856
Energy: 1.4157981457625375
Energy: 1.3536400445424313
Energy: 1.3627939068282264
Energy: 1.3526975559405856
Energy: 1.4456740841089584
Energy: 1.3218681998304536
Energy: 1.3756008630116268
Energy: 1.4607993342136232
Energy: 1.3582424719057082
Energy: 1.3218681998304536
Energy: 1.3756008630116268
Energy: 1.4607993342136232
Energy: 1.3626489946208877
Energy: 1.335741676555529
Energy: 1.5164495258684965
Energy: 1.347483248331625
Energy: 1.3626489946208877
Energy: 1.335741676555529
Energy: 1.5164495258684965
Energy: 1.3135542582323139
Energy: 1.3740728619970737
Energy: 1.3701299944757326
Energy: 1.364988444371995
Energy: 1.3135542582323139
Energy: 1.3740728619970737
Energy: 1.3701299944757326
Energy: 1.3626678468676294
Energy: 1.3650486455680808
Energy: 1.4975558243569154
Energy: 1.3534315017299543
Energy: 1.3626678468676294
Energy: 1.3650486455680808
Energy: 1.4975558243569154
Energy: 1.3137638221582633
Energy: 1.3355692044923937
Energy: 1.4542842165670884
Energy: 1.3640068719882679
Energy: 1.3137638221582633
Energy: 1.3355692044923937
Energy: 1.4542842165704617
Energy: 1.3633488535461842
Energy: 1.378058499802627
Energy: 1.4984888968686665
Energy: 1.3623301591052994
Energy: 1.3633488535461842
Energy: 1.378058499802627
Energy: 1.4984888968686665
Energy: 1.3863592867894365
Energy: 1.4352373052718201
Energy: 1.475008184777922
Energy: 1.3920801251348585
Energy: 1.3863592867860628
Energy: 1.4352373052718201
Energy: 1.475008184777922
Energy: 1.3630685780039473
Energy: 1.4054401216275143
Energy: 1.5116239714101263
Energy: 1.4343053921527988
Energy: 1.3630685780039473
Energy: 1.4054401216275143
Energy: 1.511623971406753
Energy: 1.3865835845223058
Energy: 1.3571471615581798
Energy: 1.4411798715198592
Energy: 1.3640498873247233
Energy: 1.3865835845223058
Energy: 1.3571471615615531
Energy: 1.4411798715198592
Energy: 1.3636934431459047
Energy: 1.3785253751627198
Energy: 1.5100615072713484
Energy: 1.3619930709460508
Energy: 1.3636934431459047
Energy: 1.3785253751627198
Energy: 1.5100615072713484
Energy: 1.3132844258396414
Energy: 1.3379867118252977
Energy: 1.4408258444200994
Energy: 1.369386155326844
Energy: 1.3132844258396414
Energy: 1.3379867118252977
Energy: 1.4408258444200994
Energy: 1.3635871333103213
Energy: 1.3772440086855338
Energy: 1.4979129776568536
Energy: 1.3906600255059909
Energy: 1.3635871333103213
Energy: 1.3772440086855338
Energy: 1.4979129776568536
Energy: 1.3137111270673236
Energy: 1.34910893216147
Energy: 1.4048052029729068
Energy: 1.356054452532701
Energy: 1.3137111270673236
Energy: 1.34910893216147
Energy: 1.4048052029695335
Energy: 1.3682637914947502
Energy: 1.354191008699653
Energy: 1.572387168608635
Energy: 1.4057788554436303
Energy: 1.3682637914947502
Energy: 1.354191008699653
Energy: 1.572387168608635
Energy: 1.314294684816045
Energy: 1.3651980185281631
Energy: 1.4452235977153307
Energy: 1.345374824699945
Energy: 1.314294684816045
Energy: 1.3651980185281631
Energy: 1.4452235977153307
Energy: 1.427476614128505
Energy: 1.3541077860805868
Energy: 1.4565498449165957
Energy: 1.4525404160322817
Energy: 1.427476614128505
Energy: 1.3541077860772133
Energy: 1.4565498449165957
Energy: 1.3597492284820876
Energy: 1.3581899093489582
Energy: 1.4553643814586026
Energy: 1.3458408864681555
Energy: 1.3597492284820876
Energy: 1.3581899093489582
Energy: 1.4553643814586026
Energy: 1.3630721389443219
Energy: 1.412837690574971
Energy: 1.4403119179959267
Energy: 1.4916089138605715
Energy: 1.3630721389443219
Energy: 1.412837690574971
Energy: 1.4403119179959267
Energy: 1.3658979529048494
Energy: 1.4244984868227522
Energy: 1.5236781205761356
Energy: 1.3588931548653804
Energy: 1.3658979529048494
Energy: 1.4244984868193786
Energy: 1.5236781205761356
Energy: 1.5132254096908162
Energy: 1.4086641840773488
Energy: 1.3700861806605744
Energy: 1.4933676917623542
Energy: 1.5132254096908162
Energy: 1.4086641840773488
Energy: 1.3700861806605744
Energy: 1.3642129825200016
Energy: 1.480127847294815
Energy: 1.5411056047969165
Energy: 1.425463243643524
Energy: 1.3642129825200016
Energy: 1.480127847294815
Energy: 1.5411056047969165
Energy: 1.4412717884439605
Energy: 1.4084334782992658
Energy: 1.3563627570470074
Energy: 1.49355273307095
Energy: 1.4412717884439605
Energy: 1.4084334782992658
Energy: 1.3563627570470074
Energy: 1.364841000280593
Energy: 1.4176280468545068
Energy: 1.5253453041636502
Energy: 1.3594861131686728
Energy: 1.364841000280593
Energy: 1.4176280468511333
Energy: 1.5253453041636502
Energy: 1.3803727651972753
Energy: 1.4084652872394432
Energy: 1.3862509509231193
Energy: 1.4933390630495709
Energy: 1.3803727651972753
Energy: 1.4084652872394432
Energy: 1.3862509509231193
Energy: 1.364905273299257
Energy: 1.3590548381797691
Energy: 1.4561749103472093
Energy: 1.362577103962755
Energy: 1.364905273299257
Energy: 1.3590548381797691
Energy: 1.4561749103472093
Energy: 1.3804927411852392
Energy: 1.3658903507596272
Energy: 1.3825100380133915
Energy: 1.4313250924150598
Energy: 1.3804927411852392
Energy: 1.3658903507596272
Energy: 1.3825100380133915
Energy: 1.366726045996255
Energy: 1.3583996332897919
Energy: 1.4537961612225243
Energy: 1.3674054488308547
Energy: 1.366726045996255
Energy: 1.3583996332897919
Energy: 1.4537961612225243
Energy: 1.378212579734447
Energy: 1.34051779141216
Energy: 1.4465685448967887
Energy: 1.4445892460364749
Energy: 1.378212579734447
Energy: 1.34051779141216
Energy: 1.4465685448967887
Energy: 1.3668481215112687
Energy: 1.370035542999797
Energy: 1.4689998559111872
Energy: 1.3484791859883893
Energy: 1.3668481215112687
Energy: 1.370035542999797
Energy: 1.4689998559111872
Energy: 1.378847773507577
Energy: 1.352592779379302
Energy: 1.3857883916327198
Energy: 1.4496410487619174
Energy: 1.378847773507577
Energy: 1.352592779379302
Energy: 1.3857883916327198
Energy: 1.3655048826924923
Energy: 1.3506118124830426
Energy: 1.4081754176237173
Energy: 1.3484065245252048
Energy: 1.3655048826924923
Energy: 1.3506118124830426
Energy: 1.4081754176237173
Energy: 1.3785889042520307
Energy: 1.4179936356194782
Energy: 1.4534231904514925
Energy: 1.4036469461308798
Energy: 1.3785889042520307
Energy: 1.4179936356194782
Energy: 1.4534231904514925
Energy: 1.3808785745439118
Energy: 1.4189010216662938
Energy: 1.458216830638226
Energy: 1.4052367567563078
Energy: 1.3808785745439118
Energy: 1.4189010216662938
Energy: 1.458216830638226
Energy: 1.4285283784714233
Energy: 1.4336426733517944
Energy: 1.4533923761989103
Energy: 1.403603164792845
Energy: 1.4285283784714233
Energy: 1.4336426733517944
Energy: 1.4533923762022836
Energy: 1.3805955473002063
Energy: 1.367329329479349
Energy: 1.4957179128822566
Energy: 1.4273054728475671
Energy: 1.3805955473002063
Energy: 1.367329329479349
Energy: 1.4957179128822566
Energy: 1.3695429642588068
Energy: 1.437062950052395
Energy: 1.4441687644211256
Energy: 1.40322673252756
Energy: 1.3695429642588068
Energy: 1.437062950052395
Energy: 1.4441687644211256
Energy: 1.3766481206832104
Energy: 1.3782588245038234
Energy: 1.5323655812342085
Energy: 1.3646364156590038
Energy: 1.3766481206832104
Energy: 1.3782588245038234
Energy: 1.532365581237582
Energy: 1.3139767785801806
Energy: 1.4291495917683412
Energy: 1.4444713584046671
Energy: 1.422999579285628
Energy: 1.3139767785801806
Energy: 1.4291495917683412
Energy: 1.4444713584080404

minimum gb energy = 1.3132844258396414 eV
minimum distance =  2.24436938757984 Angstroms
sigma value = 365


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

Energy: 1.3445338193365488
Energy: 1.207051057735711
Energy: 1.1610914187754509
Energy: 1.207051057735711
Energy: 1.3445338193365488
Energy: 1.2070510577364715
Energy: 1.3236148770028122
Energy: 1.3445338193373095
Energy: 1.2070510577326687
Energy: 1.4235147762559741
Energy: 1.2070510577364715
Energy: 1.3445338193365488
Energy: 1.2070510577326687
Energy: 1.2614417240755351
Energy: 1.3445338193373095
Energy: 1.2070510577341897
Energy: 1.370282861299196
Energy: 1.2070510577334292
Energy: 1.3445338193373095
Energy: 1.2070510577364715
Energy: 1.1364228487985695
Energy: 1.3445338193365488
Energy: 1.2070510577372322
Energy: 1.212595681335556
Energy: 1.2070510577341897
Energy: 1.3445338193365488
Energy: 1.2070510577349505
Energy: 1.1909185604341597
Energy: 1.3445338193373095
Energy: 1.2070510577349505
Energy: 1.1364228487932453
Energy: 1.2070510577341897
Energy: 1.3445338193373095
Energy: 1.207051057735711
Energy: 1.1364228488076962
Energy: 1.3445338193373095
Energy: 1.2070510577334292
Energy: 1.323614877003573
Energy: 1.2070510577349505
Energy: 1.3445338193373095
Energy: 1.2070510577326687
Energy: 1.2889297353819422
Energy: 1.3445338193365488
Energy: 1.2070510577326687
Energy: 1.2321931292567325
Energy: 1.207051057735711
Energy: 1.3445338193365488
Energy: 1.2070510577349505
Energy: 1.1909186468446327
Energy: 1.3445338193365488
Energy: 1.2070510577326687
Energy: 1.2889297353827027
Energy: 1.2070510577334292
Energy: 1.3445338193373095
Energy: 1.2070510577326687
Energy: 1.288929735384224
Energy: 1.3445338193365488
Energy: 1.2070510577326687
Energy: 1.136422848640441
Energy: 1.2070510577334292
Energy: 1.3445338193373095
Energy: 1.2070510577349505
Energy: 1.1364228486176586
Energy: 1.3445338193357883
Energy: 1.207051057735711
Energy: 1.2093008827918796
Energy: 1.2070510577326687
Energy: 1.3445338193365488
Energy: 1.2070510577364715
Energy: 1.3236148770005307
Energy: 1.3445338193365488
Energy: 1.207051057735711
Energy: 1.1364228486146162
Energy: 1.2070510577364715
Energy: 1.3445338193365488
Energy: 1.2070510577326687
Energy: 1.1364228486062502
Energy: 1.3445338193373095
Energy: 1.2070510577349505
Energy: 1.2614417240755351
Energy: 1.2070510577311477
Energy: 1.3445338193373095
Energy: 1.2070510577334292
Energy: 1.2614417240755351
Energy: 1.3445338193373095
Energy: 1.2070510577341897
Energy: 1.1929203780656266
Energy: 1.2070510577341897
Energy: 1.3445338193373095
Energy: 1.207051057735711
Energy: 1.2614417240747746
Energy: 1.3445338193373095
Energy: 1.2070510577326687
Energy: 1.2614417240747746
Energy: 1.2070510577364715
Energy: 1.3445338193373095
Energy: 1.2070510577341897
Energy: 1.261441724074014
Energy: 1.3445338193373095
Energy: 1.2070510577349505
Energy: 1.261441724074014
Energy: 1.2070510577379927
Energy: 1.3445338193373095
Energy: 1.2070510577334292
Energy: 1.261441724074014
Energy: 1.3445338193365488
Energy: 1.2070510577341897
Energy: 1.2614417240747746
Energy: 1.207051057731908
Energy: 1.3445338193365488
Energy: 1.2070510577334292
Energy: 1.2614417240762956
Energy: 1.3445338193365488
Energy: 1.2070510577364715
Energy: 1.2614417240755351
Energy: 1.2070510577349505
Energy: 1.3445338193365488
Energy: 1.207051057735711
Energy: 1.2614417240755351
Energy: 1.3445338193365488
Energy: 1.2070510577334292
Energy: 1.2614417240747746
Energy: 1.2070510577349505
Energy: 1.3445338193373095
Energy: 1.207051057735711
Energy: 1.261441724074014
Energy: 1.3445338193373095
Energy: 1.207051057735711
Energy: 1.2614417240747746
Energy: 1.2070510577326687
Energy: 1.3445338193373095
Energy: 1.2070510577311477
Energy: 1.261441724074014
Energy: 1.3445338193373095
Energy: 1.2070510577349505
Energy: 1.261441724074014
Energy: 1.2070510577334292
Energy: 1.3445338193365488
Energy: 1.2070510577349505
Energy: 1.261441724074014

minimum gb energy = 1.1364228486062502 eV
minimum distance =  2.35916151346243 Angstroms
sigma value = 23