Model name: model_name=SNAP_LiHuChen_2018_Ni__MO_913991514986_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=3.520425826311112
cohesive_energy=2.4459192092499484
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: -3.33480144358195 eV

========================================
theta = 0.0
========================================

Energy: 0.012242088626911585
Energy: 0.6064026186748912
Energy: 0.3222489957561438
Energy: 0.6065938615189487
Energy: 0.012242088626911585
Energy: 0.6064026186748912
Energy: 0.3222489957561438
Energy: 0.5700268655384649
Energy: 0.012940005868814447
Energy: 0.3529677273653487
Energy: 0.013059691905440431
Energy: 0.5700268655384649
Energy: 0.012940005868814447
Energy: 0.3529677273653487
Energy: 0.012242088626911585
Energy: 0.6064026186748912
Energy: 0.3222489957561438
Energy: 0.6065938615189487
Energy: 0.012242088626911585
Energy: 0.6064026186748912
Energy: 0.3222489957561438
Energy: 0.5700268655384649
Energy: 0.012940005868814447
Energy: 0.3529677273653487
Energy: 0.013059691905440431
Energy: 0.5700268655384649
Energy: 0.012940005868814447
Energy: 0.3529677273653487
Energy: 0.012242088626911585
Energy: 0.6064026186748912
Energy: 0.3222489957561438
Energy: 0.6065938615189487
Energy: 0.012242088626911585
Energy: 0.6064026186748912
Energy: 0.3222489957561438
Energy: 0.5700268655384649
Energy: 0.012940005868814447
Energy: 0.3529677273653487
Energy: 0.013059691905440431
Energy: 0.5700268655384649
Energy: 0.012940005868814447
Energy: 0.3529677273653487

minimum gb energy = 0.012242088626911585 eV
minimum distance =  2.46871607925552 Angstroms
sigma value = 5


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

Energy: 1.454718540192422
Energy: 1.4336367672836559
Energy: 1.3986485776552755
Energy: 1.416620685142565
Energy: 1.454718540192422
Energy: 1.4336367672868813
Energy: 1.3986485776552755
Energy: 1.3425085196209336
Energy: 1.3513855264326142
Energy: 1.3664590429698569
Energy: 1.3697282077693171
Energy: 1.3425085196241588
Energy: 1.3513855264326142
Energy: 1.366459042973082
Energy: 1.3389287804224175
Energy: 1.3423055260830705
Energy: 1.327478262651035
Energy: 1.383028074617999
Energy: 1.3389287804224175
Energy: 1.3423055260862957
Energy: 1.3274782626542603
Energy: 1.48001027131287
Energy: 1.3658394897472368
Energy: 1.3734990570719763
Energy: 1.3656866889287624
Energy: 1.48001027131287
Energy: 1.3658394897472368
Energy: 1.373499057075524
Energy: 1.3593950122610565
Energy: 1.3365078971221467
Energy: 1.3508077912494054
Energy: 1.3257816609010598
Energy: 1.359395012258154
Energy: 1.3365078971189215
Energy: 1.3508077912494054
Energy: 1.401818433409055
Energy: 1.369308833018264
Energy: 1.4067426064605102
Energy: 1.3533157203526613
Energy: 1.401818433409055
Energy: 1.369308833018264
Energy: 1.4067426064637352
Energy: 1.346503652700592
Energy: 1.4124443079226285
Energy: 1.357201842665257
Energy: 1.389268632195569
Energy: 1.346503652700592
Energy: 1.4124443079226285
Energy: 1.3572018426620318
Energy: 1.34395327432783
Energy: 1.342206263793224
Energy: 1.4744278236332535
Energy: 1.386186952787629
Energy: 1.34395327432783
Energy: 1.3422062637964494
Energy: 1.4744278236332535
Energy: 1.3315138638330541
Energy: 1.3661006518172538
Energy: 1.459087015687312
Energy: 1.3547434779192356
Energy: 1.3315138638362793
Energy: 1.3661006518172538
Energy: 1.4590870156840867
Energy: 1.36949035614637
Energy: 1.3802406492699801
Energy: 1.3647565674969155
Energy: 1.38889602790694
Energy: 1.3694903561431448
Energy: 1.3802406492699801
Energy: 1.3647565674969155
Energy: 1.3726108319938668
Energy: 1.3604794512867537
Energy: 1.3386984041111276
Energy: 1.41538013715265
Energy: 1.3726108319938668
Energy: 1.3604794512867537
Energy: 1.3386984041143526
Energy: 1.4148912643663776
Energy: 1.3904709495736167
Energy: 1.3938814285205032
Energy: 1.3411374522841844
Energy: 1.4148912643663776
Energy: 1.390470949570391
Energy: 1.3938814285205032
Energy: 1.4324679206086761
Energy: 1.428516764584415
Energy: 1.3948988572010834
Energy: 1.3833275977787043
Energy: 1.4324679206119013
Energy: 1.428516764584415
Energy: 1.3948988571978582
Energy: 1.3297329554141855
Energy: 1.4099583787050547
Energy: 1.3460035700649557
Energy: 1.3555240367837713
Energy: 1.3297329554141855
Energy: 1.4099583787050547
Energy: 1.3460035700681812
Energy: 1.3412904007924675
Energy: 1.357375935539183
Energy: 1.353662640107647
Energy: 1.350257709175249
Energy: 1.3412904007924675
Energy: 1.357375935539183
Energy: 1.3536626401044216
Energy: 1.434351225020655
Energy: 1.4730595080578694
Energy: 1.410744242508289
Energy: 1.3857948709155128
Energy: 1.434351225020655
Energy: 1.473059508054644
Energy: 1.410744242508289
Energy: 1.3679534757267398
Energy: 1.359977419868406
Energy: 1.3521770681900631
Energy: 1.4111645787558569
Energy: 1.367953475723837
Energy: 1.359977419868406
Energy: 1.3521770681868381
Energy: 1.345287472082787
Energy: 1.335560554647832
Energy: 1.368507860989167
Energy: 1.3816711053866086
Energy: 1.345287472082787
Energy: 1.3355605546442841
Energy: 1.3685078609859416
Energy: 1.388785444824902
Energy: 1.3525419907015315
Energy: 1.4699846013552935
Energy: 1.3658231894470372
Energy: 1.388785444824902
Energy: 1.3525419907015315
Energy: 1.4699846013488431
Energy: 1.371150293784874
Energy: 1.3383924103145441
Energy: 1.4115037286774106
Energy: 1.3285874511474027
Energy: 1.3711502937880995
Energy: 1.3383924103145441
Energy: 1.4115037286774106
Energy: 1.3467303051990465
Energy: 1.4108691637162043
Energy: 1.414026712914877
Energy: 1.3626608356818204
Energy: 1.346730305192596
Energy: 1.4108691637162043
Energy: 1.414026712914877
Energy: 1.3472958883109154
Energy: 1.3858805658197795
Energy: 1.3810236407134853
Energy: 1.3790822340693016
Energy: 1.3472958883109154
Energy: 1.385880565816554
Energy: 1.3810236407134853
Energy: 1.3531148784716363
Energy: 1.341696540536964
Energy: 1.3895153721723033
Energy: 1.3849663427299044
Energy: 1.3531148784716363
Energy: 1.341696540536964
Energy: 1.3895153721755282
Energy: 1.3879799892363873
Energy: 1.3569179938654166
Energy: 1.3945656270932436
Energy: 1.3654951409933807
Energy: 1.3879799892363873
Energy: 1.3569179938621916
Energy: 1.3945656270932436
Energy: 1.361761692788855
Energy: 1.3822889960889904
Energy: 1.3890516232031251
Energy: 1.3683208040770851
Energy: 1.361761692788855
Energy: 1.3822889960922158
Energy: 1.3890516232031251
Energy: 1.3902491335380638
Energy: 1.3600288183064904
Energy: 1.360694148688297
Energy: 1.4118276018074198
Energy: 1.3902491335380638
Energy: 1.360028818303265
Energy: 1.360694148691522
Energy: 1.425263665092916
Energy: 1.3393396725985487
Energy: 1.3763035100233787
Energy: 1.3578879894216813
Energy: 1.425263665096141
Energy: 1.3393396726020965
Energy: 1.3763035100266041
Energy: 1.4247257947252496
Energy: 1.4446412561928559
Energy: 1.3592327587185624
Energy: 1.4462816836209842
Energy: 1.4247257947252496
Energy: 1.4446412561928559
Energy: 1.359232758715337
Energy: 1.408364782576074
Energy: 1.3766678315282317
Energy: 1.3365631813095153
Energy: 1.3371196721273604
Energy: 1.408364782576074
Energy: 1.3766678315314278
Energy: 1.3365631813095153
Energy: 1.3394344085627274
Energy: 1.352780258672491
Energy: 1.4697590700649872
Energy: 1.3600790224222583
Energy: 1.3394344085595025
Energy: 1.352780258672491
Energy: 1.4697590700649872
Energy: 1.3615324632007169
Energy: 1.433039826509659
Energy: 1.359221241650572
Energy: 1.4349749341762734
Energy: 1.3615324632007169
Energy: 1.4330398265128843
Energy: 1.359221241650572
Energy: 1.3803418110572436
Energy: 1.3442499884021588
Energy: 1.3598203064044518
Energy: 1.3371928257898649
Energy: 1.3803418110572436
Energy: 1.3442499884021588
Energy: 1.3598203064044518
Energy: 1.3829282296728174
Energy: 1.3507102349868991
Energy: 1.3653359378757575
Energy: 1.342355054813619
Energy: 1.3829282296760423
Energy: 1.350710234983674
Energy: 1.3653359378722094
Energy: 1.390277902316595
Energy: 1.3420883452066343
Energy: 1.466994752996839
Energy: 1.3853365181763728
Energy: 1.3902779023198206
Energy: 1.3420883452066343
Energy: 1.466994752993614
Energy: 1.3483436250641576
Energy: 1.3438712357120652
Energy: 1.3719684316153848
Energy: 1.371708203834326
Energy: 1.348343625060932
Energy: 1.3438712357120652
Energy: 1.3719684316186103
Energy: 1.3694156263769874
Energy: 1.376545769887989
Energy: 1.3906885929848969
Energy: 1.3899993479204062
Energy: 1.3694156263737622
Energy: 1.3765457698847636
Energy: 1.390688592981672
Energy: 1.3305945822434722
Energy: 1.3661514328031283
Energy: 1.451308022852769
Energy: 1.351834667975173
Energy: 1.3305945822399243
Energy: 1.366151432799903
Energy: 1.451308022852769
Energy: 1.3437548949564846
Energy: 1.3802090108494784
Energy: 1.4040600200596136
Energy: 1.3290556446203736
Energy: 1.3437548949597098
Energy: 1.3802090108494784
Energy: 1.4040600200563884
Energy: 1.3662162619807197
Energy: 1.4236428648965476
Energy: 1.390821126676706
Energy: 1.3835652081721723
Energy: 1.3662162619774945
Energy: 1.4236428648997728
Energy: 1.390821126673481
Energy: 1.4261103939292339
Energy: 1.3835549320562517
Energy: 1.3459734276522983
Energy: 1.3844142336899217
Energy: 1.4261103939292339
Energy: 1.383554932053056
Energy: 1.3459734276522983
Energy: 1.4115388647386617
Energy: 1.3547349982774057
Energy: 1.3558934078043623
Energy: 1.417419079572908
Energy: 1.4115388647386617
Energy: 1.3547349982709547
Energy: 1.3558934078075877
Energy: 1.4009989059120738
Energy: 1.3553350193402491
Energy: 1.3461529923683118
Energy: 1.348413215777011
Energy: 1.4009989059088777
Energy: 1.3553350193370237
Energy: 1.3461529923647928
Energy: 1.429713973949227
Energy: 1.3833418992230444
Energy: 1.4168524992372387
Energy: 1.4284901539427106
Energy: 1.429713973949227
Energy: 1.3833418992230444
Energy: 1.4168524992372387
Energy: 1.408156588825126
Energy: 1.3596218104914137
Energy: 1.4596784045259636
Energy: 1.3829159219322937
Energy: 1.4081565888283514
Energy: 1.359621810494639
Energy: 1.4596784045227384
Energy: 1.3304123023421923
Energy: 1.3607152362589925
Energy: 1.4834590686321936
Energy: 1.3611317645441772
Energy: 1.3304123023421923
Energy: 1.3607152362589925
Energy: 1.4834590686289684
Energy: 1.3702986779273032
Energy: 1.4538433215351119
Energy: 1.368524216140364
Energy: 1.437001663319992
Energy: 1.3702986779305284
Energy: 1.4538433215351119
Energy: 1.368524216140364
Energy: 1.3309936156285305
Energy: 1.3822312418902944
Energy: 1.4194048522056169
Energy: 1.3555455329010244
Energy: 1.3309936156285305
Energy: 1.3822312418870693
Energy: 1.4194048522056169

minimum gb energy = 1.3257816609010598 eV
minimum distance =  2.24108165963555 Angstroms
sigma value = 401


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

Energy: 1.3170312964137239
Energy: 1.3754767898360125
Energy: 1.411292987104936
Energy: 1.369311209322583
Energy: 1.3170312964137239
Energy: 1.3754767898360125
Energy: 1.4112929871012752
Energy: 1.2950396449638775
Energy: 1.3274530948522922
Energy: 1.307715147531319
Energy: 1.3374300475782648
Energy: 1.2950396449638775
Energy: 1.3274530948522922
Energy: 1.307715147531319
Energy: 1.28942303876981
Energy: 1.3339245428852708
Energy: 1.3050518256693222
Energy: 1.3299289762987494
Energy: 1.28942303876981
Energy: 1.3339245428852708
Energy: 1.3050518256693222
Energy: 1.346052863425908
Energy: 1.3497166289734472
Energy: 1.305081440481985
Energy: 1.3194671023340159
Energy: 1.346052863425908
Energy: 1.3497166289734472
Energy: 1.305081440481985
Energy: 1.3476278450244783
Energy: 1.3442067324468163
Energy: 1.3094009891246936
Energy: 1.320410022013498
Energy: 1.3476278450244783
Energy: 1.3442067324468163
Energy: 1.3094009891210325
Energy: 1.2907922645789107
Energy: 1.331103431837596
Energy: 1.3396747170784624
Energy: 1.3410416997570864
Energy: 1.2907922645789107
Energy: 1.3311034318339352
Energy: 1.3396747170784624
Energy: 1.2783234539683934
Energy: 1.365648594768357
Energy: 1.385980200610004
Energy: 1.3248001331261452
Energy: 1.2783234539683934
Energy: 1.365648594768357
Energy: 1.385980200610004
Energy: 1.2772650540423318
Energy: 1.3116431690284378
Energy: 1.3562682526560665
Energy: 1.3640513643545906
Energy: 1.2772650540423318
Energy: 1.3116431690284378
Energy: 1.3562682526560665
Energy: 1.2906964138007562
Energy: 1.320852224102255
Energy: 1.3530854267153305
Energy: 1.3340159250010393
Energy: 1.2906964138007562
Energy: 1.3208522240985936
Energy: 1.3530854267153305
Energy: 1.3479946086730226
Energy: 1.3575464465811435
Energy: 1.3595219621459884
Energy: 1.325004949136993
Energy: 1.3479946086693615
Energy: 1.3575464465774822
Energy: 1.3595219621459884
Energy: 1.3467169705617785
Energy: 1.3830545269158703
Energy: 1.3468822141051637
Energy: 1.3261336526695797
Energy: 1.3467169705617785
Energy: 1.3830545269158703
Energy: 1.3468822141015027
Energy: 1.2914515961054926
Energy: 1.3385596557819344
Energy: 1.3584530434623319
Energy: 1.343655580335061
Energy: 1.2914515961054926
Energy: 1.3385596557855954
Energy: 1.3584530434586708
Energy: 1.3089900167586255
Energy: 1.3224729539418876
Energy: 1.3650406575179166
Energy: 1.3399808941588753
Energy: 1.3089900167586255
Energy: 1.3224729539418876
Energy: 1.3650406575179166
Energy: 1.3183552399141194
Energy: 1.3754767898360125
Energy: 1.3784973807627956
Energy: 1.369311209322583
Energy: 1.3183552399141194
Energy: 1.3754767898360125
Energy: 1.3784973807627956
Energy: 1.2950396449638775
Energy: 1.3274530948522922
Energy: 1.307715147531319
Energy: 1.3408426949384153
Energy: 1.2950396449638775
Energy: 1.3274530948522922
Energy: 1.307715147531319
Energy: 1.28942303876981
Energy: 1.3339245428852708
Energy: 1.3050518256693222
Energy: 1.3299289762987494
Energy: 1.28942303876981
Energy: 1.3339245428852708
Energy: 1.3050518256693222
Energy: 1.346052863425908
Energy: 1.3469035375636067
Energy: 1.305081440481985
Energy: 1.3194671023340159
Energy: 1.346052863425908
Energy: 1.3469035375636067
Energy: 1.305081440481985
Energy: 1.3476278450244783
Energy: 1.3426242049103336
Energy: 1.3094009891246936
Energy: 1.320410022013498
Energy: 1.3476278450244783
Energy: 1.3426242049103336
Energy: 1.3094009891210325
Energy: 1.2907834978802557
Energy: 1.331103431837596
Energy: 1.3396747170784624
Energy: 1.3410416997570864
Energy: 1.2907834978802557
Energy: 1.3311034318339352
Energy: 1.3396747170784624
Energy: 1.2783234539683934
Energy: 1.365648594768357
Energy: 1.385980200610004
Energy: 1.3248001331261452
Energy: 1.2783234539683934
Energy: 1.365648594768357
Energy: 1.385980200610004
Energy: 1.2772650540423318
Energy: 1.3116431690284378
Energy: 1.3562682526560665
Energy: 1.3640513643545906
Energy: 1.2772650540423318
Energy: 1.3116431690284378
Energy: 1.3562682526560665
Energy: 1.2906964138007562
Energy: 1.320852224102255
Energy: 1.3745134013334392
Energy: 1.3340159250010393
Energy: 1.2906964138007562
Energy: 1.3208522240985936
Energy: 1.3443287487926059
Energy: 1.3479946086730226
Energy: 1.3575464465811435
Energy: 1.3459069895027769
Energy: 1.325004949136993
Energy: 1.3479946086693615
Energy: 1.3575464465774822
Energy: 1.3327062952324769
Energy: 1.3467169705617785
Energy: 1.3782601511307
Energy: 1.3161643211366403
Energy: 1.3261336526695797
Energy: 1.3467169705617785
Energy: 1.3782601511307
Energy: 1.3161643211366403
Energy: 1.2913450529520087
Energy: 1.3385596557855954
Energy: 1.3472918313062023
Energy: 1.343655580338722
Energy: 1.2913450529520087
Energy: 1.3385596557855954
Energy: 1.3334505207859175
Energy: 1.2960143297609683
Energy: 1.3224729539418876
Energy: 1.3172837377567561
Energy: 1.3399808941588753
Energy: 1.2960143297609683
Energy: 1.3224729539418876
Energy: 1.3172837377567561
Energy: 1.3170312964137239
Energy: 1.3754767898360125
Energy: 1.344821623068952
Energy: 1.369311209322583
Energy: 1.3170312964137239
Energy: 1.3754767898360125
Energy: 1.344821623068952
Energy: 1.2950396449638775
Energy: 1.3274530948522922
Energy: 1.307715147531319
Energy: 1.3374300475782648
Energy: 1.2950396449638775
Energy: 1.3274530948522922
Energy: 1.307715147531319
Energy: 1.28942303876981
Energy: 1.3339245428852708
Energy: 1.3050518256693222
Energy: 1.3299289762987494
Energy: 1.28942303876981
Energy: 1.3339245428852708
Energy: 1.3050518256693222
Energy: 1.346052863425908
Energy: 1.3497166289734472
Energy: 1.305081440481985
Energy: 1.3194671023340159
Energy: 1.346052863425908
Energy: 1.3497166289734472
Energy: 1.305081440481985
Energy: 1.3476278450244783
Energy: 1.3442067324468163
Energy: 1.3094009891246936
Energy: 1.320410022013498
Energy: 1.3476278450244783
Energy: 1.3442067324468163
Energy: 1.3094009891210325
Energy: 1.2907922645789107
Energy: 1.331103431837596
Energy: 1.3396747170784624
Energy: 1.3410416997570864
Energy: 1.2907922645789107
Energy: 1.3311034318339352
Energy: 1.3396747170784624
Energy: 1.2783234539683934
Energy: 1.365648594768357
Energy: 1.385980200610004
Energy: 1.3248001331261452
Energy: 1.2783234539683934
Energy: 1.365648594768357
Energy: 1.385980200610004
Energy: 1.2772650540423318
Energy: 1.3116431690284378
Energy: 1.3562682526560665
Energy: 1.3640513643545906
Energy: 1.2772650540423318
Energy: 1.3116431690284378
Energy: 1.3562682526560665
Energy: 1.2906964138007562
Energy: 1.320852224102255
Energy: 1.3745134013334392
Energy: 1.3340159250010393
Energy: 1.2906964138007562
Energy: 1.3208522240985936
Energy: 1.3745134013334392
Energy: 1.3479946086730226
Energy: 1.3575464465811435
Energy: 1.3161803051050895
Energy: 1.325004949136993
Energy: 1.3479946086693615
Energy: 1.3575464465774822
Energy: 1.3161803051050895
Energy: 1.3467169705617785
Energy: 1.3830545269158703
Energy: 1.332905381049402
Energy: 1.3261336526695797
Energy: 1.3467169705617785
Energy: 1.3830545269158703
Energy: 1.332905381049402
Energy: 1.2914515961054926
Energy: 1.3385596557819344
Energy: 1.347241932535748
Energy: 1.343655580335061
Energy: 1.2914515961054926
Energy: 1.3385596557855954
Energy: 1.3168999527422218
Energy: 1.3089900167586255
Energy: 1.3224729539418876
Energy: 1.3172837377567561
Energy: 1.3399808941588753
Energy: 1.3089900167586255
Energy: 1.3224729539418876
Energy: 1.3172837377567561
Energy: 1.3183552399141194
Energy: 1.3754767898360125
Energy: 1.344821623068952
Energy: 1.369311209322583
Energy: 1.3183552399141194
Energy: 1.3754767898360125
Energy: 1.344821623068952
Energy: 1.2950396449638775
Energy: 1.3274530948522922
Energy: 1.307715147531319
Energy: 1.3408426949384153
Energy: 1.2950396449638775
Energy: 1.3274530948522922
Energy: 1.307715147531319

minimum gb energy = 1.2772650540423318 eV
minimum distance =  2.27795308778947 Angstroms
sigma value = 311


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

Energy: 1.4788949227407528
Energy: 1.3740774956632484
Energy: 1.4568181091727543
Energy: 1.343980180194978
Energy: 1.4788949227411756
Energy: 1.3740774956632484
Energy: 1.456818109173177
Energy: 1.4298168111342118
Energy: 1.3947529331569035
Energy: 1.414725160970236
Energy: 1.4111292407727978
Energy: 1.4298168111342118
Energy: 1.3947529331569035
Energy: 1.4147251609689677
Energy: 1.3852743295087802
Energy: 1.3544677349058853
Energy: 1.4566028109423357
Energy: 1.3664284963759568
Energy: 1.3852743295087802
Energy: 1.3544677349058853
Energy: 1.456602810943181
Energy: 1.3721464461292043
Energy: 1.3641698644197526
Energy: 1.476773177419777
Energy: 1.3371520274827673
Energy: 1.3721464461292043
Energy: 1.3641698644197526
Energy: 1.4767731774202
Energy: 1.401551580015843
Energy: 1.3415369768019019
Energy: 1.4237711245213855
Energy: 1.3611089588458938
Energy: 1.4015515800162657
Energy: 1.3415369768019019
Energy: 1.4237711245213855
Energy: 1.3577799374387105
Energy: 1.3134234655297476
Energy: 1.3834107974210386
Energy: 1.3395994163389429
Energy: 1.3577799374387105
Energy: 1.3134234655301704
Energy: 1.3834107974210386
Energy: 1.3916137968104538
Energy: 1.402100091061682
Energy: 1.4181854659852922
Energy: 1.3755298334267525
Energy: 1.3916137968100313
Energy: 1.4021000910621049
Energy: 1.4181854659857147
Energy: 1.3636818973197857
Energy: 1.3540450962766402
Energy: 1.5080152045342636
Energy: 1.3432157346873215
Energy: 1.3636818973189397
Energy: 1.3540450962762176
Energy: 1.5080152045338409
Energy: 1.3890934843303073
Energy: 1.3585709958981447
Energy: 1.4981201903196044
Energy: 1.372632394056391
Energy: 1.3890934843303073
Energy: 1.3585709958985674
Energy: 1.4981201903196044
Energy: 1.371455225468757
Energy: 1.38581216282605
Energy: 1.4428571674809831
Energy: 1.414825408484234
Energy: 1.3714552254691799
Energy: 1.3858121628264726
Energy: 1.4428571674805606
Energy: 1.43342993039836
Energy: 1.3418079707240176
Energy: 1.44797773223655
Energy: 1.3368183506075657
Energy: 1.4334299303979368
Energy: 1.3418079707240176
Energy: 1.4479777322361271
Energy: 1.401147174480686
Energy: 1.4041789321440177
Energy: 1.4150328066691455
Energy: 1.3901389037793943
Energy: 1.4011471744811088
Energy: 1.4041789321440177
Energy: 1.4150328066699909
Energy: 1.3687690239622339
Energy: 1.3893467318501314
Energy: 1.4801047475614064
Energy: 1.3718724028377824
Energy: 1.3687690239626569
Energy: 1.389346731850554
Energy: 1.4801047475614064
Energy: 1.3536718831011763
Energy: 1.387909991790451
Energy: 1.4026449842668953
Energy: 1.3301484817957965
Energy: 1.3536718831007537
Energy: 1.3879099917900282
Energy: 1.4026449842664723
Energy: 1.402865864571864
Energy: 1.366592398402442
Energy: 1.4539739860769243
Energy: 1.412718517118735
Energy: 1.4028658645714411
Energy: 1.3665923984028645
Energy: 1.4539739860765015
Energy: 1.3836446586864268
Energy: 1.3709907779679855
Energy: 1.4239961493138942
Energy: 1.3764187178031624
Energy: 1.3836446586872726
Energy: 1.3709907779684083
Energy: 1.423996149314317
Energy: 1.4415188967264565
Energy: 1.3117889281388837
Energy: 1.4562697371824853
Energy: 1.3704694452470996
Energy: 1.4415188967264565
Energy: 1.3117889281384607
Energy: 1.4562697371824853
Energy: 1.3836856405029452
Energy: 1.392523439786739
Energy: 1.460202585916159
Energy: 1.4028761036877682
Energy: 1.3836856405025226
Energy: 1.392523439787162
Energy: 1.4602025859165817
Energy: 1.391032398976845
Energy: 1.4050851172356325
Energy: 1.4074651761934762
Energy: 1.3431984717079513
Energy: 1.3910323989772677
Energy: 1.40508511723521
Energy: 1.4074651761930537
Energy: 1.3534072944747484
Energy: 1.3589854563364998
Energy: 1.5146806681629572
Energy: 1.365631068289497
Energy: 1.3534072944747484
Energy: 1.358985456336077
Energy: 1.5146806681625347
Energy: 1.3896973004350226
Energy: 1.3916386419799645
Energy: 1.4353947161887166
Energy: 1.3958830839177165
Energy: 1.3896973004350226
Energy: 1.3916386419799645
Energy: 1.4353947161887166
Energy: 1.3603361942912402
Energy: 1.3331746130142046
Energy: 1.4263242743723634
Energy: 1.33700140428569
Energy: 1.3603361942903949
Energy: 1.3331746130142046
Energy: 1.4263242743732094
Energy: 1.4354434258888855
Energy: 1.3608471506301203
Energy: 1.428487562945668
Energy: 1.3687289393236632
Energy: 1.4354434258884627
Energy: 1.3608471506305428
Energy: 1.428487562945668
Energy: 1.3840580552874133
Energy: 1.3385231437596563
Energy: 1.4895348038000078
Energy: 1.36942789529623
Energy: 1.3840580552874133
Energy: 1.3385231437596563
Energy: 1.4895348038004306
Energy: 1.3660697622421727
Energy: 1.3663229530006389
Energy: 1.421211816049042
Energy: 1.355341913542122
Energy: 1.3660697622413271
Energy: 1.3663229530002354
Energy: 1.4212118160486191
Energy: 1.4140483355208178
Energy: 1.3826077255543334
Energy: 1.3856737780660382
Energy: 1.4003365861856345
Energy: 1.4140483355212403
Energy: 1.3826077255543334
Energy: 1.3856737780664607
Energy: 1.4363535603208322
Energy: 1.3741009030855684
Energy: 1.50562888475048
Energy: 1.3431514480891362
Energy: 1.436353560321255
Energy: 1.3741009030851452
Energy: 1.50562888475048
Energy: 1.4633066071243745
Energy: 1.3185099661007207
Energy: 1.4439193794243013
Energy: 1.3758213896048666
Energy: 1.4633066071252199
Energy: 1.3185099661011435
Energy: 1.443919379423456
Energy: 1.4033254247541387
Energy: 1.3470729704836748
Energy: 1.4256630347922479
Energy: 1.407286717498636
Energy: 1.403325424753716
Energy: 1.3470729704828295
Energy: 1.4256630347922479
Energy: 1.3682855590499736
Energy: 1.367973159106486
Energy: 1.444378081409305
Energy: 1.3395687292976544
Energy: 1.3682855590495508
Energy: 1.367973159106486
Energy: 1.444378081409305
Energy: 1.4011912416305543
Energy: 1.3414034577767144
Energy: 1.3987724935444235
Energy: 1.395905586462277
Energy: 1.401191241630977
Energy: 1.3414034577771372
Energy: 1.398772493543578
Energy: 1.3528168253068213
Energy: 1.3783136306415735
Energy: 1.4149569392253922
Energy: 1.3517441860480284
Energy: 1.3528168253072441
Energy: 1.3783136306415735
Energy: 1.4149569392253922
Energy: 1.377504185356727
Energy: 1.3862961336377362
Energy: 1.4240685724492352
Energy: 1.3676953956519569
Energy: 1.377504185356727
Energy: 1.386296133638159
Energy: 1.4240685724492352
Energy: 1.363679307312285
Energy: 1.34154588004055
Energy: 1.5101032665576777
Energy: 1.3672060162586392
Energy: 1.363679307312285
Energy: 1.34154588004055
Energy: 1.5101032665572547
Energy: 1.4024058072855887
Energy: 1.342469446806754
Energy: 1.5548545321193916
Energy: 1.3518041352569776
Energy: 1.4024058072855887
Energy: 1.342469446806754
Energy: 1.5548545321193916
Energy: 1.3584184042492313
Energy: 1.3858128293148924
Energy: 1.436424519281162
Energy: 1.3890161654427005
Energy: 1.3584184042496539
Energy: 1.3858128293148924
Energy: 1.436424519281162

minimum gb energy = 1.3117889281384607 eV
minimum distance =  2.24614821365167 Angstroms
sigma value = 39


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

Energy: 1.3369774853429293
Energy: 1.386626221600512
Energy: 1.494938973668254
Energy: 1.3871969952872332
Energy: 1.3369774853414325
Energy: 1.3866262216025078
Energy: 1.4949389736687528
Energy: 1.3189988223463562
Energy: 1.308480946362461
Energy: 1.2195525280683572
Energy: 1.310901578132094
Energy: 1.3189988223463562
Energy: 1.3084809463614633
Energy: 1.2195525280673594
Energy: 1.3364372338679706
Energy: 1.2321611399908232
Energy: 1.314090671307369
Energy: 1.31385071585358
Energy: 1.3364372338679706
Energy: 1.232161139991821
Energy: 1.314090671307369
Energy: 1.3292065157457855
Energy: 1.3731205645364397
Energy: 1.2199825922070686
Energy: 1.3137571255784122
Energy: 1.3292065157452864
Energy: 1.3731205645364397
Energy: 1.2199825922070686
Energy: 1.3928097335046958
Energy: 1.3142860436544772
Energy: 1.3111525152441508
Energy: 1.3136782020140496
Energy: 1.3928097335017022
Energy: 1.314286043654976
Energy: 1.3111525152441508
Energy: 1.3291316970905394
Energy: 1.3135105103073568
Energy: 1.4196037827466736
Energy: 1.3138926494069902
Energy: 1.3291316970915372
Energy: 1.3135105103083544
Energy: 1.4196037827451766
Energy: 1.464518831639566
Energy: 1.3145375945317253
Energy: 1.3438423161555169
Energy: 1.3134946086570558
Energy: 1.4645188316385684
Energy: 1.3145375945307272
Energy: 1.34384231615402
Energy: 1.3401020300868804
Energy: 1.2304435384928347
Energy: 1.399549293647298
Energy: 1.230370177463466
Energy: 1.3401020300858828
Energy: 1.2304435384933337
Energy: 1.3995492936458012
Energy: 1.4644613983607788
Energy: 1.3133671535519658
Energy: 1.412126107984222
Energy: 1.3145105771765346
Energy: 1.4644613983612778
Energy: 1.3133671535499702
Energy: 1.412126107984222
Energy: 1.32947609656214
Energy: 1.3139648289042838
Energy: 1.4196267270450298
Energy: 1.3137616264793883
Energy: 1.329476096563138
Energy: 1.3139648289042838
Energy: 1.4196267270450298
Energy: 1.3927188332130915
Energy: 1.3131807374868059
Energy: 1.4004804010627032
Energy: 1.3140500787332499
Energy: 1.3927188332140892
Energy: 1.313180737487804
Energy: 1.4004804010632022
Energy: 1.3292137461570543
Energy: 1.3138592932304747
Energy: 1.219945784500101
Energy: 1.3730724655345368
Energy: 1.3292137461585511
Energy: 1.3138592932309734
Energy: 1.219945784500101
Energy: 1.3365032754807633
Energy: 1.313330845933798
Energy: 1.3664218303524094
Energy: 1.2321777392565985
Energy: 1.3365032754832578
Energy: 1.3133308459328001
Energy: 1.3664218303524094
Energy: 1.3189945197285504
Energy: 1.3106146182063936
Energy: 1.2199116382263664
Energy: 1.308418284993975
Energy: 1.3189945197285504
Energy: 1.3106146182073914
Energy: 1.2199116382263664
Energy: 1.3369774853434282
Energy: 1.386626221600512
Energy: 1.4793914340625047
Energy: 1.3871969952872332
Energy: 1.3369774853414325
Energy: 1.3866262216025078
Energy: 1.47939143406001
Energy: 1.3189988223463562
Energy: 1.308480946362461
Energy: 1.219552528068856
Energy: 1.310901578132094
Energy: 1.3189988223463562
Energy: 1.3084809463614633
Energy: 1.2195525280673594
Energy: 1.3364372338679706
Energy: 1.2321611399908232
Energy: 1.314090671307369
Energy: 1.31385071585358
Energy: 1.3364372338679706
Energy: 1.232161139991821
Energy: 1.3140906713068703
Energy: 1.3292065157457855
Energy: 1.3731205645364397
Energy: 1.2199825922070686
Energy: 1.3137571255784122
Energy: 1.3292065157452864
Energy: 1.3731205645364397
Energy: 1.2199825922070686
Energy: 1.3928097335046958
Energy: 1.3142860436544772
Energy: 1.3111525152441508
Energy: 1.3136782020140496
Energy: 1.3928097335017022
Energy: 1.314286043654976
Energy: 1.3111525152441508
Energy: 1.3291316970905394
Energy: 1.3135105103073568
Energy: 1.4196037827466736
Energy: 1.3138926494069902
Energy: 1.3291316970915372
Energy: 1.3135105103083544
Energy: 1.4196037827456753
Energy: 1.464518831639566
Energy: 1.3145375945317253
Energy: 1.3438423161555169
Energy: 1.3134946086570558
Energy: 1.4645188316385684
Energy: 1.3145375945307272
Energy: 1.34384231615402
Energy: 1.3401020300873796
Energy: 1.2304435384928347
Energy: 1.399549293646799
Energy: 1.230370177463466
Energy: 1.3401020300858828
Energy: 1.2304435384933337
Energy: 1.3995492936458012
Energy: 1.4644613983612778
Energy: 1.3133671535519658
Energy: 1.314052245758771
Energy: 1.3145105771765346
Energy: 1.4644613983607788
Energy: 1.3133671535499702
Energy: 1.314052245758771
Energy: 1.32947609656214
Energy: 1.3139648289042838
Energy: 1.4196267270450298
Energy: 1.3137616264793883
Energy: 1.329476096563138
Energy: 1.3139648289042838
Energy: 1.4196267270450298
Energy: 1.3927188332135905
Energy: 1.3131807374873048
Energy: 1.3160405963813238
Energy: 1.3140500787332499
Energy: 1.3927188332135905
Energy: 1.313180737487804
Energy: 1.3160405963823214
Energy: 1.3292137461570543
Energy: 1.3138592932304747
Energy: 1.219945784500101
Energy: 1.3730724655340378
Energy: 1.3292137461585511
Energy: 1.3138592932309734
Energy: 1.219945784500101
Energy: 1.3365032754807633
Energy: 1.313330845933798
Energy: 1.3263896148852508
Energy: 1.2321777392565985
Energy: 1.3365032754832578
Energy: 1.3133308459328001
Energy: 1.3263896148852508
Energy: 1.3189945197285504
Energy: 1.3106146182063936
Energy: 1.2199116382263664
Energy: 1.308418284993975
Energy: 1.3189945197285504
Energy: 1.3106146182078902
Energy: 1.2199116382263664
Energy: 1.3369774853434282
Energy: 1.386626221600512
Energy: 1.4793914340625047
Energy: 1.3871969952872332
Energy: 1.3369774853419314
Energy: 1.3866262216025078
Energy: 1.4793914340605088
Energy: 1.3189988223463562
Energy: 1.308480946362461
Energy: 1.219552528068856
Energy: 1.310901578132094
Energy: 1.3189988223458573
Energy: 1.3084809463614633
Energy: 1.2195525280673594

minimum gb energy = 1.2195525280673594 eV
minimum distance =  2.27532663143419 Angstroms
sigma value = 21


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

Energy: 1.3933081234900988
Energy: 1.3881199778155744
Energy: 1.3935848660327144
Energy: 1.388301782258229
Energy: 1.3933081234900988
Energy: 1.3881199778149684
Energy: 1.3935848660333199
Energy: 1.468971444274897
Energy: 1.353341606112848
Energy: 1.1838712238345102
Energy: 1.3543044081382116
Energy: 1.468971444274897
Energy: 1.353341606112848
Energy: 1.1838712238345102
Energy: 1.3939363176152741
Energy: 1.3611770560364373
Energy: 1.3733072277980112
Energy: 1.3554092693878637
Energy: 1.3939363176146684
Energy: 1.3611770560364373
Energy: 1.3733072277980112
Energy: 1.4503230081033414
Energy: 1.373140336838972
Energy: 1.308545331352736
Energy: 1.3548914467905837
Energy: 1.450323008103947
Energy: 1.373140336838972
Energy: 1.3085453313533415
Energy: 1.3421322025502287
Energy: 1.2796468672417234
Energy: 1.3874210898248687
Energy: 1.2783383768691678
Energy: 1.3421322025496234
Energy: 1.2796468672417234
Energy: 1.3874210898254744
Energy: 1.450372345092672
Energy: 1.2914340644587563
Energy: 1.4191618722241597
Energy: 1.3530242709169376
Energy: 1.4503723450932775
Energy: 1.2914340644587563
Energy: 1.4191618722241597
Energy: 1.393746520551914
Energy: 1.2792673143816882
Energy: 1.3862249074284474
Energy: 1.3833286248886738
Energy: 1.393746520551914
Energy: 1.279267314382294
Energy: 1.3862249074284474
Energy: 1.4179020889351999
Energy: 1.3734235044512557
Energy: 1.4189227529576127
Energy: 1.3528880153157463
Energy: 1.4179020889358056
Energy: 1.3734235044506502
Energy: 1.4189227529582182
Energy: 1.3936785041629676
Energy: 1.3644736377859312
Energy: 1.3121000655161357
Energy: 1.2906920915387596
Energy: 1.3936785041629676
Energy: 1.3644736377853253
Energy: 1.3121000655161357
Energy: 1.393148155670274
Energy: 1.2855013018877763
Energy: 1.3086996067828547
Energy: 1.3524375381244014
Energy: 1.393148155670274
Energy: 1.285501301888382
Energy: 1.308699606782249
Energy: 1.3938099251343463
Energy: 1.370353044647337
Energy: 1.3120249473288002
Energy: 1.3475493592159098
Energy: 1.3938099251343463
Energy: 1.3703530446479428
Energy: 1.3120249473288002
Energy: 1.2917057727881447
Energy: 1.2865335613686866
Energy: 1.2957367211918576
Energy: 1.2873712625278126
Energy: 1.2917057727881447
Energy: 1.2865335613692923
Energy: 1.2957367211906463
Energy: 1.393222876084963
Energy: 1.3556395330480382
Energy: 1.381041173074337
Energy: 1.3546535437035132
Energy: 1.393222876084963
Energy: 1.3556395330474325
Energy: 1.381041173074337
Energy: 1.2918592276937595
Energy: 1.2862501114004097
Energy: 1.3855973018702756
Energy: 1.2850262997356832
Energy: 1.2918592276937595
Energy: 1.2862501114004097
Energy: 1.3855973018702756
Energy: 1.4479709626354347
Energy: 1.3168757859637619
Energy: 1.2722959527025277
Energy: 1.355505971220016
Energy: 1.4479709626360404
Energy: 1.3168757859649733
Energy: 1.2722959527031334
Energy: 1.2917347433540138
Energy: 1.3197498734574884
Energy: 1.3857112421098854
Energy: 1.3558065393553456
Energy: 1.2917347433540138
Energy: 1.3197498734574884
Energy: 1.3857112421086744
Energy: 1.4475153787045951
Energy: 1.3093804582393345
Energy: 1.3837008295868123
Energy: 1.3552276818017586
Energy: 1.4475153787052004
Energy: 1.309380458238729
Energy: 1.3837008295880235
Energy: 1.2917601545373123
Energy: 1.3840565949946309
Energy: 1.3861548414025138
Energy: 1.3185665276183192
Energy: 1.2917601545367066
Energy: 1.3840565949940251
Energy: 1.3861548414031193
Energy: 1.3938175743662173
Energy: 1.3079035239721326
Energy: 1.4552407464994594
Energy: 1.3632234706168995
Energy: 1.3938175743662173
Energy: 1.3079035239721326
Energy: 1.4552407464988537
Energy: 1.291823260088158
Energy: 1.3797679532646285
Energy: 1.375379064843299
Energy: 1.379800960675659
Energy: 1.291823260088158
Energy: 1.379767953265234
Energy: 1.375379064843299
Energy: 1.3936666055840223
Energy: 1.3632238220254054
Energy: 1.4553781793181568
Energy: 1.3083745563719251
Energy: 1.3936666055834166
Energy: 1.3632238220254054
Energy: 1.4553781793187623
Energy: 1.2917756876500963
Energy: 1.3186218926995223
Energy: 1.386214023947208
Energy: 1.3840751581209376
Energy: 1.2917756876500963
Energy: 1.3186218927007338
Energy: 1.386214023947208
Energy: 1.4475653728981221
Energy: 1.3553338182710613
Energy: 1.3846186421673687
Energy: 1.3091698707299457
Energy: 1.4475653728969107
Energy: 1.3553338182716668
Energy: 1.3846186421679745
Energy: 1.2916763502244177
Energy: 1.3559134324854685
Energy: 1.3856207593152687
Energy: 1.3197385975371019
Energy: 1.2916763502250233
Energy: 1.3559134324860742
Energy: 1.3856207593164798
Energy: 1.4478161180333617
Energy: 1.3555962504997743
Energy: 1.2703155213401145
Energy: 1.3087955479930928
Energy: 1.4478161180333617
Energy: 1.3555962504997743
Energy: 1.27031552134072

minimum gb energy = 1.1838712238345102 eV
minimum distance =  2.29486070102241 Angstroms
sigma value = 113


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

Energy: 1.3672459823918701
Energy: 1.4526084839956224
Energy: 1.4182203017789512
Energy: 1.4531039118973659
Energy: 1.3672459823918701
Energy: 1.4526084839956224
Energy: 1.4182203017789512
Energy: 1.4300955082051938
Energy: 1.3655539901275358
Energy: 1.3032725019786848
Energy: 1.3840938323062641
Energy: 1.4300955082051938
Energy: 1.3655539901275358
Energy: 1.3032725019786848
Energy: 1.3640272044837376
Energy: 1.4172738204909106
Energy: 1.3760396187253583
Energy: 1.3824983983754318
Energy: 1.3640272044837376
Energy: 1.4172738204875304
Energy: 1.3760396187253583
Energy: 1.333192456028042
Energy: 1.3663173031459246
Energy: 1.372061821594246
Energy: 1.3802435970947993
Energy: 1.333192456028042
Energy: 1.3663173031459246
Energy: 1.372061821594246
Energy: 1.349975465436211
Energy: 1.324353124124722
Energy: 1.3057527167398246
Energy: 1.3135196687047106
Energy: 1.3499754654395915
Energy: 1.324353124124722
Energy: 1.3057527167398246
Energy: 1.2723558681625533
Energy: 1.3402635992854504
Energy: 1.3964159323451093
Energy: 1.3208815870493489
Energy: 1.2723558681659028
Energy: 1.3402635992888308
Energy: 1.3964159323451093
Energy: 1.3841154621250262
Energy: 1.279441780051612
Energy: 1.338825255410025
Energy: 1.2910011875680283
Energy: 1.3841154621250262
Energy: 1.279441780051612
Energy: 1.3388252554063071
Energy: 1.3111294578321755
Energy: 1.2903961686801033
Energy: 1.382878769259737
Energy: 1.3062637706123796
Energy: 1.311129457828488
Energy: 1.2903961686801033
Energy: 1.382878769259737
Energy: 1.374331332079518
Energy: 1.3337725125107693
Energy: 1.4165834795487358
Energy: 1.2955037710086714
Energy: 1.374331332079518
Energy: 1.3337725125107693
Energy: 1.4165834795487358
Energy: 1.2883663177553384
Energy: 1.2832369642878194
Energy: 1.3534037127316532
Energy: 1.2994192948782535
Energy: 1.2883663177553384
Energy: 1.2832369642878194
Energy: 1.3534037127316532
Energy: 1.3993233706981727
Energy: 1.281055337723983
Energy: 1.3448769823658833
Energy: 1.3097391398742988
Energy: 1.3993233706951305
Energy: 1.2810553377270253
Energy: 1.344876982362503
Energy: 1.3052770651201295
Energy: 1.2825079130624735
Energy: 1.4284728673895997
Energy: 1.2673174393735478
Energy: 1.3052770651167491
Energy: 1.2825079130624735
Energy: 1.4284728673895997
Energy: 1.41061792096531
Energy: 1.3280912884999658
Energy: 1.4073616850773887
Energy: 1.319225924983188
Energy: 1.41061792096531
Energy: 1.3280912884999658
Energy: 1.4073616850773887
Energy: 1.3247283134299515
Energy: 1.3701842635722081
Energy: 1.3364902585596496
Energy: 1.3848983111150308
Energy: 1.3247283134299515
Energy: 1.370184263569166
Energy: 1.3364902585596496
Energy: 1.410651600188033
Energy: 1.3441221071566
Energy: 1.4596398773650792
Energy: 1.3366234290507573
Energy: 1.410651600188033
Energy: 1.3441221071566
Energy: 1.459639877361699
Energy: 1.337345790372197
Energy: 1.2796142640532675
Energy: 1.2992437636218723
Energy: 1.3261004745569258
Energy: 1.337345790372197
Energy: 1.2796142640532675
Energy: 1.2992437636218723
Energy: 1.4119301983082084
Energy: 1.3345994454387682
Energy: 1.4585324438159943
Energy: 1.2699878339398085
Energy: 1.4119301983082084
Energy: 1.3345994454387682
Energy: 1.4585324438159943
Energy: 1.305015312153409
Energy: 1.2694238686367985
Energy: 1.2981707475832776
Energy: 1.283696757786857
Energy: 1.305015312153409
Energy: 1.2694238686334185
Energy: 1.2981707475832776
Energy: 1.4002236239905026
Energy: 1.2637914723090686
Energy: 1.4043771820735667
Energy: 1.318484271495207
Energy: 1.4002236239905026
Energy: 1.2637914723090686
Energy: 1.4043771820735667
Energy: 1.2738874280091501
Energy: 1.286335320026908
Energy: 1.3051347973624359
Energy: 1.2676459772626085
Energy: 1.2738874280091501
Energy: 1.286335320026908
Energy: 1.3051347973624359
Energy: 1.3738412757823482
Energy: 1.2733403927205094
Energy: 1.3735184604788357
Energy: 1.3229538581802567
Energy: 1.3738412757823482
Energy: 1.2733403927205094
Energy: 1.3735184604757933
Energy: 1.2908843765843119
Energy: 1.3188349759296987
Energy: 1.2898580628208716
Energy: 1.283883870314353
Energy: 1.2908843765809315
Energy: 1.3188349759296987
Energy: 1.2898580628242517
Energy: 1.3389109915054287
Energy: 1.343013647922333
Energy: 1.4223493953959865
Energy: 1.3626555546299246
Energy: 1.3389109915054287
Energy: 1.343013647925713
Energy: 1.4223493953959865
Energy: 1.312187707790039
Energy: 1.2843723580122333
Energy: 1.452956630763358
Energy: 1.2976325886962883
Energy: 1.312187707790039
Energy: 1.2843723580122333
Energy: 1.4529566307599773
Energy: 1.3947246034639957
Energy: 1.3876991531443439
Energy: 1.374118154560254
Energy: 1.4298866876104748
Energy: 1.3947246034639957
Energy: 1.3876991531443439
Energy: 1.374118154560254
Energy: 1.340327539662265
Energy: 1.39812224147404
Energy: 1.4663615515935107
Energy: 1.2774645467849397
Energy: 1.340327539662265
Energy: 1.39812224147404
Energy: 1.4663615515935107
Energy: 1.4988497580774847
Energy: 1.386331004063196
Energy: 1.318843287423869
Energy: 1.4443223340947646
Energy: 1.4988497580741045
Energy: 1.386331004063196
Energy: 1.318843287423869
Energy: 1.3869484050474796
Energy: 1.4662511265832954
Energy: 1.4294130652573296
Energy: 1.3556617530366342
Energy: 1.3869484050474796
Energy: 1.4662511265802534
Energy: 1.4294130652573296
Energy: 1.5067268589781553
Energy: 1.386994975704769
Energy: 1.3563196900235468
Energy: 1.4432379262361634
Energy: 1.5067268589781553
Energy: 1.386994975704769
Energy: 1.3563196900235468
Energy: 1.3399866527307174
Energy: 1.4236850687662954
Energy: 1.4174165922592694
Energy: 1.2646574767897008
Energy: 1.3399866527307174
Energy: 1.4236850687662954
Energy: 1.4174165922592694
Energy: 1.4218733417576106
Energy: 1.388919446460838
Energy: 1.3523060758737044
Energy: 1.4266546847182189
Energy: 1.4218733417576106
Energy: 1.388919446460838
Energy: 1.3523060758737044
Energy: 1.3539794944893901
Energy: 1.289707046794214
Energy: 1.3438797038687595
Energy: 1.2875878773935165
Energy: 1.3539794944893901
Energy: 1.289707046794214
Energy: 1.3438797038687595
Energy: 1.371957989180243
Energy: 1.3548838375290289
Energy: 1.3533970287360406
Energy: 1.3655233203386232
Energy: 1.371957989180243
Energy: 1.3548838375290289
Energy: 1.3533970287360406
Energy: 1.358479535699266
Energy: 1.3061888517360523
Energy: 1.4205826893434523
Energy: 1.2934796385109706
Energy: 1.3584795356959163
Energy: 1.3061888517360523
Energy: 1.4205826893400721
Energy: 1.3512006185972145
Energy: 1.2904163977573724
Energy: 1.3530509097769412
Energy: 1.3665404730657926
Energy: 1.3512006186009327
Energy: 1.2904163977573724
Energy: 1.353050909773561
Energy: 1.3605127127976924
Energy: 1.2893802458008055
Energy: 1.3776068088881452
Energy: 1.2930797930589892
Energy: 1.3605127127976924
Energy: 1.2893802458008055
Energy: 1.3776068088881452
Energy: 1.3502618216445974
Energy: 1.323732630123894
Energy: 1.3242929766181657
Energy: 1.3754614530477804
Energy: 1.3502618216445974
Energy: 1.323732630123894
Energy: 1.3242929766181657
Energy: 1.3571974391357255
Energy: 1.2853614846174743
Energy: 1.3685216745456794
Energy: 1.3500660190882348
Energy: 1.3571974391391057
Energy: 1.2853614846174743
Energy: 1.3685216745422992
Energy: 1.3799419235056518
Energy: 1.3596139298775414
Energy: 1.3172673902434515
Energy: 1.392890079127152
Energy: 1.379941923509032
Energy: 1.3596139298741612
Energy: 1.3172673902434515
Energy: 1.3572917477093818
Energy: 1.3165264913431158
Energy: 1.3811380990913675
Energy: 1.3590225919222936
Energy: 1.3572917477093818
Energy: 1.3165264913397354
Energy: 1.3811380990879873
Energy: 1.4063221862212094
Energy: 1.371668715532424
Energy: 1.3155517483815533
Energy: 1.3968287799947547
Energy: 1.4063221862212094
Energy: 1.371668715532424
Energy: 1.3155517483815533
Energy: 1.3574062358058345
Energy: 1.3598744809565366
Energy: 1.558727962200286
Energy: 1.3417776211276828
Energy: 1.3574062358058345
Energy: 1.3598744809565366
Energy: 1.5587279621969057
Energy: 1.3772479087899403
Energy: 1.372569488256843
Energy: 1.3006610766859399
Energy: 1.4011444263080146
Energy: 1.3772479087933207
Energy: 1.372569488256843
Energy: 1.3006610766859399
Energy: 1.3393069280708756
Energy: 1.3476992917073358
Energy: 1.5594409152297122
Energy: 1.2710489561536695
Energy: 1.3393069280708756
Energy: 1.3476992917039556
Energy: 1.5594409152297122
Energy: 1.3221796413665157
Energy: 1.3560336182646675
Energy: 1.3017633560531672
Energy: 1.387659917414652
Energy: 1.3221796413665157
Energy: 1.3560336182646675
Energy: 1.3017633560531672

minimum gb energy = 1.2637914723090686 eV
minimum distance =  2.24745001382248 Angstroms
sigma value = 365


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

Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.6138045891659456
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.6138045891659456
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.6138045891659456
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.6138045891659456
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.4489246830606488
Energy: 1.1794401078191066
Energy: 1.2580316156077065
Energy: 1.1794401078183447
Energy: 1.4489246830606488
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.4489246830606488
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.4489246830606488
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.4489246830598868
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.4489246830606488
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.377917653029178
Energy: 1.1794401078191066
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.377917653029178
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.377917653029178
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.377917653029178
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.377917653029178
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.377917653029178
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.2970708963934008
Energy: 1.1794401078191066
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.2970708963926385
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.2970708963926385
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.2970708963934008
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.2970708963934008
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.2970708963926385
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.1972258325730787
Energy: 1.1794401078191066
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.1972258325730787
Energy: 1.1794401078191066
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.1972258325715543
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.1794401078191066
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.1972258325715543
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.2580316156077065
Energy: 1.1794401078191066
Energy: 1.1972258325723166
Energy: 1.1794401078191066
Energy: 1.2580316156069442
Energy: 1.1794401078191066
Energy: 1.1972258325723166

minimum gb energy = 1.1794401078183447 eV
minimum distance =  2.33395447465821 Angstroms
sigma value = 23