Model name: model_name=MEAM_LAMMPS_KimShinLee_2009_FeMn__MO_058735400462_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657340407371
cohesive_energy=4.290337440834252
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.013216091198576087
Energy: 0.013771405071427904
Energy: 0.013509740318352958
Energy: 0.013771405071427904
Energy: 0.013216091198576087
Energy: 0.013771405071427904
Energy: 0.013771405071427904
Energy: 2.724595163567319
Energy: 0.013771405071427904
Energy: 2.7245951635678183
Energy: 0.013771405071427904
Energy: 2.724595163567319
Energy: 0.013509740317880964
Energy: 0.013771405071427904
Energy: 0.013216091198576087
Energy: 0.013771405071427904
Energy: 0.01350974031885272
Energy: 0.013771405071427904
Energy: 0.013771405071427904
Energy: 2.724595163567319
Energy: 0.013771405071427904
Energy: 2.724595163567319
Energy: 0.013771405071427904
Energy: 2.724595163567319
Energy: 0.013216091198576087
Energy: 0.013771405071427904
Energy: 0.013509740318352958
Energy: 0.013771405071427904
Energy: 0.013216091198576087
Energy: 0.013771405071427904
Energy: 0.013771405071427904
Energy: 2.724595163567319
Energy: 0.013771405071427904
Energy: 2.724595163566819
Energy: 0.013771405071427904
Energy: 2.724595163567319

minimum gb energy = 0.013216091198576087 eV
minimum distance =  2.37983666463207 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.3492760856152342
Energy: 1.298043769015454
Energy: 1.2607409477068563
Energy: 1.298043769015454
Energy: 1.3492760856140311
Energy: 1.298043769015454
Energy: 1.355665716331051
Energy: 1.2700068321020495
Energy: 1.3610315699490478
Energy: 1.270006832140545
Energy: 1.355665716331051
Energy: 1.2700068321285152
Energy: 1.2301610244784755
Energy: 1.275183900008125
Energy: 1.3552601838676523
Energy: 1.2751839000069218
Energy: 1.2301610244784755
Energy: 1.2751839000069218
Energy: 1.3954368954655554
Energy: 1.2459226436706468
Energy: 1.2763671170225208
Energy: 1.2459226436706468
Energy: 1.3954368954655554
Energy: 1.2459226436718498
Energy: 1.3587274658877913
Energy: 1.2954266794874019
Energy: 1.2930458324799154
Energy: 1.2954266794874019
Energy: 1.3587274658877913
Energy: 1.2954266794874019
Energy: 1.361028293784607
Energy: 1.2766939271852022
Energy: 1.2563600787442177
Energy: 1.276693927186405
Energy: 1.3610282937834042
Energy: 1.276693927186405
Energy: 1.376379123305625
Energy: 1.2756565737500924
Energy: 1.268635557932517
Energy: 1.2756565737500924
Energy: 1.376379123306828
Energy: 1.2756565737500924
Energy: 1.3709038361276584
Energy: 1.2969984122963547
Energy: 1.21661859455529
Energy: 1.2969984122963547
Energy: 1.3709038361288615
Energy: 1.2969984122963547
Energy: 1.3726757977793258
Energy: 1.2473620588939
Energy: 1.332312969504574
Energy: 1.2473620588939
Energy: 1.3726757977793258
Energy: 1.2473620588939
Energy: 1.3480832834691865
Energy: 1.2731116481873184
Energy: 1.2611741995616816
Energy: 1.2731116481861153
Energy: 1.3480832834691865
Energy: 1.2731116481873184
Energy: 1.3483715130695149
Energy: 1.2603032122440883
Energy: 1.3482285658315036
Energy: 1.2603032122440883
Energy: 1.3483715130683118
Energy: 1.2603032122489002
Energy: 1.2259286200305437
Energy: 1.2963414708005423
Energy: 1.2365000289176373
Energy: 1.2963414708005423
Energy: 1.225928620029341
Energy: 1.2963414708005423
Energy: 1.3573476711103325
Energy: 1.2603032125266258
Energy: 1.3348707275122587
Energy: 1.2603032125074325
Energy: 1.3573476711079264
Energy: 1.2603032125254228
Energy: 1.261845467334129
Energy: 1.2727169306078772
Energy: 1.3475175053085204
Energy: 1.2727169306078772
Energy: 1.261845467334129
Energy: 1.2727169306090804
Energy: 1.2730781254918675
Energy: 1.2474264627251341
Energy: 1.383095579314882
Energy: 1.247426462726337
Energy: 1.2730781255676558
Energy: 1.247426462726337
Energy: 1.2323985046901422
Energy: 1.29679660718646
Energy: 1.372837233455382
Energy: 1.29679660718646
Energy: 1.2323985045169672
Energy: 1.29679660718646
Energy: 1.265549150204352
Energy: 1.2790803246985007
Energy: 1.3623471865342451
Energy: 1.2790803246972975
Energy: 1.265549150207961
Energy: 1.2790803246972975
Energy: 1.2570849482039321
Energy: 1.2766545956477882
Energy: 1.3832205616096045
Energy: 1.2766545956477882
Energy: 1.2570849482027293
Energy: 1.2766545956477882
Energy: 1.2908234126894231
Energy: 1.2997821598119286
Energy: 1.3695356656635016
Energy: 1.2997821598131316
Energy: 1.2908234126894231
Energy: 1.2997821598131316
Energy: 1.2728109356336301
Energy: 1.245646302717252
Energy: 1.3918750758663783
Energy: 1.245646302718455
Energy: 1.2728109356336301
Energy: 1.245646302717252
Energy: 1.3536955743640342
Energy: 1.2752774819560815
Energy: 1.2301373524119221
Energy: 1.2752774819560815
Energy: 1.3536955743640342
Energy: 1.2752774819560815
Energy: 1.3538468196452267
Energy: 1.2722174439479463
Energy: 1.3595745293564319
Energy: 1.2722174454317732
Energy: 1.3538468205446768
Energy: 1.2722175009092167
Energy: 1.2607409477068563
Energy: 1.298043769014251
Energy: 1.3492760856152342
Energy: 1.298043769014251
Energy: 1.2607409477056533
Energy: 1.298043769015454

minimum gb energy = 1.21661859455529 eV
minimum distance =  2.28373321382579 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.8221949388555339
Energy: 1.3612873722093064
Energy: 1.3350707764858047
Energy: 1.3612873722093064
Energy: 1.822194938856218
Energy: 1.3612873722093064
Energy: 1.367152914016232
Energy: 1.3322215582845003
Energy: 1.455650080110663
Energy: 1.3322215582851846
Energy: 1.3671529140182848
Energy: 1.332221558285869
Energy: 1.2811461805093711
Energy: 1.3726075385366032
Energy: 1.4677335266446798
Energy: 1.3726075385372876
Energy: 1.2811461805093711
Energy: 1.3726075385372876
Energy: 1.3773172199840718
Energy: 1.31725495297236
Energy: 1.4946258720413261
Energy: 1.31725495297236
Energy: 1.3773172199833876
Energy: 1.3172549529730446
Energy: 1.3738853006685363
Energy: 1.3456693938114153
Energy: 1.411201691191464
Energy: 1.3456693938114153
Energy: 1.373885300667852
Energy: 1.3456693938114153
Energy: 1.3671518434408052
Energy: 1.346452132649954
Energy: 1.3068638181297818
Energy: 1.3464521326506385
Energy: 1.3671518434701968
Energy: 1.3464521326506385
Energy: 1.3724871193114403
Energy: 1.3384261197374892
Energy: 1.3980047653080605
Energy: 1.3384261197326996
Energy: 1.3724871193148616
Energy: 1.3384261197409106
Energy: 1.3176831035786671
Energy: 1.3494599118579462
Energy: 1.6588488633533949
Energy: 1.3494599118579462
Energy: 1.3176831035786671
Energy: 1.3494599118558936
Energy: 1.3906176418020515
Energy: 1.3173239790490756
Energy: 1.4463919830165834
Energy: 1.3173239790477071
Energy: 1.3906176418013674
Energy: 1.3173239790477071
Energy: 1.3352533549509027
Energy: 1.3634979666403266
Energy: 1.3475416494417882
Energy: 1.3634979666403266
Energy: 1.3352533549509027
Energy: 1.3634979666403266
Energy: 1.3559040331187655
Energy: 1.3308773482920002
Energy: 1.4940706834499355
Energy: 1.3308773482899785
Energy: 1.3559040331187655
Energy: 1.3308773482906318
Energy: 1.4715468508955758
Energy: 1.3443306392805368
Energy: 1.331095756832998
Energy: 1.3443306392798529
Energy: 1.4715468508948917
Energy: 1.3443306392798529
Energy: 1.5283263722071745
Energy: 1.3276953648609668
Energy: 1.3798450334508148
Energy: 1.3276953648657563
Energy: 1.5283263722085427
Energy: 1.3276953648637038
Energy: 1.3967698404940356
Energy: 1.3728737139308598
Energy: 1.7292745925773787
Energy: 1.3728737139315441
Energy: 1.3967698404940356
Energy: 1.3728737139308598
Energy: 1.4893724218987325
Energy: 1.3393354071444887
Energy: 1.4325413202760577
Energy: 1.3393354071438046
Energy: 1.4893724219001012
Energy: 1.3393354071444887
Energy: 1.4812341840372616
Energy: 1.340749780428231
Energy: 1.3241566307946515
Energy: 1.340749780428231
Energy: 1.4812341840372616
Energy: 1.340749780428231
Energy: 1.5043245609671876
Energy: 1.339389967076207
Energy: 1.3460897197629849
Energy: 1.339389967076207
Energy: 1.5043245609671876
Energy: 1.339389967076207
Energy: 1.487568685556688
Energy: 1.3351008271943505
Energy: 1.5087693527355874
Energy: 1.3351008271943505
Energy: 1.487568685556688
Energy: 1.3351008271943505
Energy: 1.294302964426028
Energy: 1.346469231291867
Energy: 1.669628592558992
Energy: 1.34646923129252
Energy: 1.294302964426712
Energy: 1.34646923129252
Energy: 1.3818879029019275
Energy: 1.3174403453035841
Energy: 1.4893303150505701
Energy: 1.3174403453035841
Energy: 1.3818879029019275
Energy: 1.3174403453035841
Energy: 1.4680690015705695
Energy: 1.3696737649752786
Energy: 1.3209171063869527
Energy: 1.3696737649759632
Energy: 1.4680690015705695
Energy: 1.3696737649752786
Energy: 1.3536515458015885
Energy: 1.3343891674754562
Energy: 1.485878400655117
Energy: 1.3343891674768245
Energy: 1.3536515458002196
Energy: 1.3343891674761406
Energy: 1.3413998644670089
Energy: 1.346484805833342
Energy: 1.4217046582290425
Energy: 1.346484805833342
Energy: 1.3413998644663243
Energy: 1.346484805833342
Energy: 1.580043799588237
Energy: 1.3329069260001993
Energy: 1.4720113033306828
Energy: 1.3329069260001993
Energy: 1.580043799587553
Energy: 1.3329069260001993
Energy: 1.3800648222500171
Energy: 1.3398137008513251
Energy: 1.469032377417461
Energy: 1.3398137008513251
Energy: 1.3800648222507015
Energy: 1.3398137008513251
Energy: 1.423683707216452
Energy: 1.3618327040699862
Energy: 1.3779262288498084
Energy: 1.361832704855167
Energy: 1.4236837071357413
Energy: 1.3618327050624026
Energy: 1.3943965462759693
Energy: 1.364982775129943
Energy: 1.3593705272003116
Energy: 1.3649827751333645
Energy: 1.3943964493356704
Energy: 1.364982775129259
Energy: 1.3726752727852594
Energy: 1.3398830391066023
Energy: 1.476373242558069
Energy: 1.3398830391066023
Energy: 1.372675272789365
Energy: 1.3398830391066023
Energy: 1.5777900661654372
Energy: 1.3327252882892084
Energy: 1.4707722516670048
Energy: 1.3327252882898923
Energy: 1.5777900661654372
Energy: 1.3327252882898923
Energy: 1.3342256669788053
Energy: 1.3447763272810782
Energy: 1.4840038416854855
Energy: 1.3447763272817626
Energy: 1.3342256669788053
Energy: 1.3447763272817626
Energy: 1.3714369224938543
Energy: 1.3343891674781934
Energy: 1.4866264262375803
Energy: 1.3343891674788775
Energy: 1.3714369224924858
Energy: 1.3343891674781934
Energy: 1.4676467349433298
Energy: 1.3619548656712195
Energy: 1.3205466422841758
Energy: 1.3619548656712195
Energy: 1.4676467349433298
Energy: 1.3619548656712195
Energy: 1.3822106156835943
Energy: 1.3174456613007954
Energy: 1.5300753915676213
Energy: 1.3174456613007954
Energy: 1.3822106156835943
Energy: 1.3174456613007954
Energy: 1.2942356532559043
Energy: 1.3456514191462992
Energy: 1.6003011262076412
Energy: 1.3456514191476676
Energy: 1.2942356532559043
Energy: 1.345651419148352
Energy: 1.5081574013347185
Energy: 1.3325946921703447
Energy: 1.489140812783567
Energy: 1.3325946921703447
Energy: 1.5081574013354027
Energy: 1.332594692171029
Energy: 1.504786093002481
Energy: 1.3439703992338776
Energy: 1.3475770184756244
Energy: 1.3439703992325092
Energy: 1.504786093002481
Energy: 1.3439703992325092
Energy: 1.4766196014832993
Energy: 1.3439804873159924
Energy: 1.3617369945695859
Energy: 1.3439804873153083
Energy: 1.4766196014832993
Energy: 1.3439804873159924
Energy: 1.4752068192442715
Energy: 1.3419356856590854
Energy: 1.4720021746553922
Energy: 1.3419356856597695
Energy: 1.4752068192415346
Energy: 1.3419356856597695
Energy: 1.3967684760042332
Energy: 1.368258120299608
Energy: 1.385455209110524
Energy: 1.3682581203002926
Energy: 1.3967684760049175
Energy: 1.3682581202989237
Energy: 1.565457507519068
Energy: 1.3284519136645037
Energy: 1.3813589260071055
Energy: 1.3284519136645037
Energy: 1.565457507519752
Energy: 1.3284519136645037
Energy: 1.4715432978038725
Energy: 1.3466877249520943
Energy: 1.3660644160039237
Energy: 1.3466877249520943
Energy: 1.4715432978031884
Energy: 1.3466877249507256

minimum gb energy = 1.2811461805093711 eV
minimum distance =  2.25766466562161 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.5758556931104772
Energy: 1.3861763017778852
Energy: 1.428094794099937
Energy: 1.3861763017778852
Energy: 1.5758556931104772
Energy: 1.3861763017778852
Energy: 1.4178688524642886
Energy: 1.615676614870894
Energy: 1.736549368252851
Energy: 1.615676614870894
Energy: 1.4178688524642886
Energy: 1.615676614870894
Energy: 1.290418104551058
Energy: 1.386130273295268
Energy: 1.4611903086108857
Energy: 1.3861302732936824
Energy: 1.2904181045526437
Energy: 1.3861302732936824
Energy: 1.3699619502748792
Energy: 1.3334881445457931
Energy: 1.7351544825836036
Energy: 1.333488144544208
Energy: 1.3699619502748792
Energy: 1.333488144544208
Energy: 1.3167070008949073
Energy: 1.357077565547151
Energy: 1.4473843931587023
Energy: 1.357077565547151
Energy: 1.3167070008933217
Energy: 1.357077565547151
Energy: 1.589974565858386
Energy: 1.3334554413726487
Energy: 1.655335344411575
Energy: 1.3334554413726487
Energy: 1.589974565858386
Energy: 1.3334554413742339
Energy: 1.6026633095479594
Energy: 1.335987884161097
Energy: 1.5228963869013707
Energy: 1.335987884161097
Energy: 1.6026633095479594
Energy: 1.335987884161097
Energy: 1.3251270765725551
Energy: 1.3366988830907691
Energy: 1.2999813336829595
Energy: 1.3366988830907691
Energy: 1.3251270765693843
Energy: 1.3366988830907691
Energy: 1.7801445572213508
Energy: 1.3588516298350406
Energy: 1.3305776364960429
Energy: 1.3588516298350406
Energy: 1.7801445572213508
Energy: 1.3588516298350406
Energy: 1.3200178260326763
Energy: 1.38606216736591
Energy: 1.2893769626447085
Energy: 1.3860621673674955
Energy: 1.3200178260326763
Energy: 1.3860621673674955
Energy: 1.7778760705524344
Energy: 1.3350107876859931
Energy: 1.7399390611516143
Energy: 1.3350107876891641
Energy: 1.7778760705540195
Energy: 1.3350107876891641
Energy: 1.5757425784775907
Energy: 1.3864191862685067
Energy: 1.7241503924179373
Energy: 1.3864191862685067
Energy: 1.5757425784775907
Energy: 1.3864191862685067
Energy: 1.5076628096265234
Energy: 1.3346257047583
Energy: 1.69289914040463
Energy: 1.3346257047583
Energy: 1.5076628096265234
Energy: 1.3346257047583
Energy: 1.2902872805658552
Energy: 1.386606701058278
Energy: 1.6361799576215572
Energy: 1.3866067010566927
Energy: 1.2902872805658552
Energy: 1.386606701058278
Energy: 1.3134054944188032
Energy: 1.3834022035614393
Energy: 1.6519561493047288
Energy: 1.3834022034393991
Energy: 1.3134054944203886
Energy: 1.383402203585184
Energy: 1.3303311136036364
Energy: 1.3369669533166912
Energy: 1.6254880100741604
Energy: 1.3369669533166912
Energy: 1.3303311136036364
Energy: 1.3369669533166912
Energy: 1.5902465110846824
Energy: 1.3849282325173564
Energy: 1.710281047781535
Energy: 1.3849282325189418
Energy: 1.5902465110846824
Energy: 1.3849282325173564
Energy: 1.6602424631294372
Energy: 1.336080669751345
Energy: 1.6882559229032503
Energy: 1.336080669751345
Energy: 1.6602424631262664
Energy: 1.336080669751345

minimum gb energy = 1.2893769626447085 eV
minimum distance =  2.25158249133962 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.7183301818559846
Energy: 1.4384508957005282
Energy: 1.3736802663338643
Energy: 1.4384508957005282
Energy: 1.7183301818559846
Energy: 1.4384508957005282
Energy: 1.33789755606216
Energy: 1.54407064635711
Energy: 1.4804967885138571
Energy: 1.54407064635711
Energy: 1.33789755606216
Energy: 1.54407064635711
Energy: 1.3128755351321844
Energy: 1.4452448653683252
Energy: 1.5072562497259963
Energy: 1.4452448653683252
Energy: 1.3128755351321844
Energy: 1.4452448653683252
Energy: 1.4139721914452126
Energy: 1.4065096120192815
Energy: 1.643949304022313
Energy: 1.4065096120192815
Energy: 1.4139721914452126
Energy: 1.4065096120192815
Energy: 1.3802490998354242
Energy: 1.4374922436112052
Energy: 1.6557433353331812
Energy: 1.4374922436102648
Energy: 1.3802490998354242
Energy: 1.4374922436102648
Energy: 1.5923259788857624
Energy: 1.4598923961188186
Energy: 1.3848873453536694
Energy: 1.4598923961188186
Energy: 1.5923259788857624
Energy: 1.4598923961188186
Energy: 1.5930390439206465
Energy: 1.4066199859462303
Energy: 1.4316467046408743
Energy: 1.4066199859462303
Energy: 1.5930390439187656
Energy: 1.4066199859462303
Energy: 1.5115508721458237
Energy: 1.4466630490732575
Energy: 1.3128337272083954
Energy: 1.4466630490732575
Energy: 1.5115508721458237
Energy: 1.446663049074198
Energy: 1.501875963961265
Energy: 1.5482941387313218
Energy: 1.3417678568448612
Energy: 1.5482941387313218
Energy: 1.5018759639593844
Energy: 1.5482941387313218
Energy: 1.3736802663338643
Energy: 1.4384508957014688
Energy: 1.718330181856925
Energy: 1.4384508957005282
Energy: 1.373680266334805
Energy: 1.4384508957005282
Energy: 1.4804967893551664
Energy: 1.5440706463580507
Energy: 1.3378975560602788
Energy: 1.54407064635711
Energy: 1.4804967895140113
Energy: 1.5440706463580507
Energy: 1.507256249727877
Energy: 1.4452448653683252
Energy: 1.3128755351321844
Energy: 1.4452448653683252
Energy: 1.507256249727877
Energy: 1.4452448653683252
Energy: 1.6439493040213724
Energy: 1.4065096120202218
Energy: 1.3529608565753635
Energy: 1.4065096120202218
Energy: 1.6439493040213724
Energy: 1.4065096120192815
Energy: 1.7122260414189958
Energy: 1.4374922436102648
Energy: 1.3802490998354242
Energy: 1.4374922436102648
Energy: 1.7122260414189958
Energy: 1.4374922436102648
Energy: 1.3848873453536694
Energy: 1.4598923961188186
Energy: 1.5923259788867026
Energy: 1.4598923961188186
Energy: 1.3848873453536694
Energy: 1.4598923961188186
Energy: 1.4316467046408743
Energy: 1.4066199859462303
Energy: 1.5930390439488376
Energy: 1.4066199859462303
Energy: 1.4316467046408743
Energy: 1.4066199859462303
Energy: 1.3128337272083954
Energy: 1.4466630490732575
Energy: 1.5115508721458237
Energy: 1.4466630490732575
Energy: 1.3128337272083954
Energy: 1.4466630490732575
Energy: 1.3417678568448612
Energy: 1.5482941387313218
Energy: 1.501875963965027
Energy: 1.5482941387313218
Energy: 1.3417678568458018
Energy: 1.5482941387313218
Energy: 1.7183301818559846
Energy: 1.4384508957014688
Energy: 1.411456954411972
Energy: 1.4384508957005282
Energy: 1.7183301818559846
Energy: 1.4384508957005282
Energy: 1.3378975560602788
Energy: 1.5440706463580507
Energy: 1.480496790050754
Energy: 1.5440706463580507
Energy: 1.33789755606216
Energy: 1.5440706463580507
Energy: 1.3128755351321844
Energy: 1.4452448653683252
Energy: 1.5072562497269368
Energy: 1.4452448653683252
Energy: 1.3128755351321844
Energy: 1.4452448653683252
Energy: 1.3529608565744227
Energy: 1.4065096120192815
Energy: 1.6439493040213724
Energy: 1.4065096120192815
Energy: 1.3529608565753635
Energy: 1.4065096120192815
Energy: 1.3802490998354242
Energy: 1.4374922436102648
Energy: 1.7122260414189958
Energy: 1.4374922436102648
Energy: 1.380249099836343
Energy: 1.4374922436102648
Energy: 1.5923259788867026
Energy: 1.4598923961188186
Energy: 1.3848873453536694
Energy: 1.4598923961188186
Energy: 1.592325978887643
Energy: 1.4598923961188186
Energy: 1.5930390439394335
Energy: 1.4066199859471706
Energy: 1.4316467046408743
Energy: 1.4066199859471706
Energy: 1.5930390439403737
Energy: 1.4066199859471706
Energy: 1.5115508721458237
Energy: 1.4466630490723174
Energy: 1.3128337272083954
Energy: 1.4466630490723174
Energy: 1.5115508721458237
Energy: 1.4466630490732575
Energy: 1.5018759639481207
Energy: 1.5482941387313218
Energy: 1.3417678568448612
Energy: 1.5482941387303812
Energy: 1.5018759639452994
Energy: 1.5482941387313218
Energy: 1.4613036877525103
Energy: 1.4384508957014688
Energy: 1.7183301818559846
Energy: 1.4384508957005282
Energy: 1.4613036877525103
Energy: 1.4384508957014688
Energy: 1.48049679071721
Energy: 1.5440706463580507
Energy: 1.3378975560612196
Energy: 1.54407064635711
Energy: 1.4804967906645894
Energy: 1.5440706463580507
Energy: 1.5072562497259963
Energy: 1.445244865367385
Energy: 1.3128755351321844
Energy: 1.4452448653683252
Energy: 1.5072562497259963
Energy: 1.4452448653683252

minimum gb energy = 1.3128337272083954 eV
minimum distance =  2.23840133887974 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.207843784049529
Energy: 1.354322691883129
Energy: 1.2869742064267047
Energy: 1.3543226918833644
Energy: 1.207843784049529
Energy: 1.354322691883129
Energy: 1.2000186193675282
Energy: 1.3607015597458203
Energy: 1.3122659431538735
Energy: 1.3607015597439878
Energy: 1.2000186193672928
Energy: 1.3607015597465009
Energy: 1.2319823897575648
Energy: 1.5096308323050311
Energy: 1.2873496778674824
Energy: 1.5096308323031986
Energy: 1.2319823897575648
Energy: 1.5096308323050311
Energy: 1.2048517895910682
Energy: 1.35256981262481
Energy: 1.2956109434117635
Energy: 1.35256981262481
Energy: 1.2048517895908328
Energy: 1.3525698126245742
Energy: 1.2871861319052744
Energy: 1.3546874063941021
Energy: 1.3201560848307028
Energy: 1.354687406394338
Energy: 1.287186131904358
Energy: 1.3546874063941021
Energy: 1.2861880447031429
Energy: 1.4024963571301203
Energy: 1.3096856997959434
Energy: 1.4024963418174408
Energy: 1.2861880447033784
Energy: 1.4024963400613315
Energy: 1.3073574321621029
Energy: 1.426380317711478
Energy: 1.2861228992497047
Energy: 1.426380317710771
Energy: 1.3073574321618673
Energy: 1.4263803177110066
Energy: 1.2046764454780245
Energy: 1.3484106206926187
Energy: 1.298209816631596
Energy: 1.3484106206923832
Energy: 1.204676445477789
Energy: 1.3484106206923832
Energy: 1.287066152552688
Energy: 1.3539291314602218
Energy: 1.2725218283306585
Energy: 1.3539291314600126
Energy: 1.287066152552688
Energy: 1.3539291314600126
Energy: 1.282528538888635
Energy: 1.5917662614392005
Energy: 1.2764004638401227
Energy: 1.5917662614394361
Energy: 1.282528538888635
Energy: 1.5917662614394361
Energy: 1.2920057943522676
Energy: 1.3538951469811022
Energy: 1.3030791246624311
Energy: 1.3538951469808924
Energy: 1.2920057943476606
Energy: 1.3538951469808924
Energy: 1.3038684021175784
Energy: 1.3484510599843975
Energy: 1.204706473038524
Energy: 1.3484510599843975
Energy: 1.303868402115746
Energy: 1.3484510599843975

minimum gb energy = 1.2000186193672928 eV
minimum distance =  2.25921647158853 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.7517766712220175
Energy: 1.6052867807424436
Energy: 1.414088383981009
Energy: 1.6052867807430906
Energy: 1.7517766712220175
Energy: 1.6052867807430906
Energy: 1.4297768133793376
Energy: 1.5014169802745116
Energy: 1.3850229969025776
Energy: 1.5014169802738644
Energy: 1.4297768133793376
Energy: 1.5014169802738644
Energy: 1.3710710124002816
Energy: 1.5510644402659268
Energy: 1.4050214129682301
Energy: 1.5510644402652796
Energy: 1.3710710123996341
Energy: 1.5510644402652796
Energy: 1.3291596218141002
Energy: 1.4861398644046002
Energy: 1.3594620631439411
Energy: 1.486139864403953
Energy: 1.3291596218141002
Energy: 1.4861398644046002
Energy: 1.300391868550326
Energy: 1.5190967634562638
Energy: 1.4072275789808777
Energy: 1.5190967634562638
Energy: 1.3003918685509734
Energy: 1.5190967634562638
Energy: 1.2948364776172359
Energy: 1.4882957380359128
Energy: 1.3907580011823766
Energy: 1.4882957380352655
Energy: 1.2948364776172359
Energy: 1.4882957380352655
Energy: 1.5092615964629115
Energy: 1.500843394945489
Energy: 1.3879088101757857
Energy: 1.500843394945489
Energy: 1.5092615964635585
Energy: 1.500843394945489
Energy: 1.5417769300488875
Energy: 1.486710166886058
Energy: 1.452141357511377
Energy: 1.486710166886705
Energy: 1.5417769300488875
Energy: 1.486710166886705
Energy: 1.4393928179259963
Energy: 1.5463711139812115
Energy: 1.395881874599617
Energy: 1.5463711139812115
Energy: 1.4393928179259963
Energy: 1.5463711139812115
Energy: 1.5442041687313486
Energy: 1.531177875540341
Energy: 1.3629033696468655
Energy: 1.5311778755390464
Energy: 1.5442041687313486
Energy: 1.531177875540341
Energy: 1.4395342776145441
Energy: 1.5137591896067437
Energy: 1.3994881686190541
Energy: 1.5137591896067437
Energy: 1.4395342776151914
Energy: 1.5137591896073908
Energy: 1.3738546406256915
Energy: 1.5243133449794073
Energy: 1.3593683549298825
Energy: 1.5243133449794073
Energy: 1.3738546406256915
Energy: 1.5243133449794073
Energy: 1.3070356702424506
Energy: 1.4367901507101757
Energy: 1.2796486635049384
Energy: 1.4367901507095284
Energy: 1.3070356702418033
Energy: 1.4367901507095284
Energy: 1.5257734721978466
Energy: 1.569383682665052
Energy: 1.4060883191811187
Energy: 1.5693836826637577
Energy: 1.525773472094318
Energy: 1.569383682665052
Energy: 1.37363427840245
Energy: 1.497490148632972
Energy: 1.3803502594233314
Energy: 1.4974901486349135
Energy: 1.37363427840245
Energy: 1.4974901486336192
Energy: 1.3825070652123599
Energy: 1.4649394304845693
Energy: 1.3587747800837913
Energy: 1.4649394304845693
Energy: 1.382507065213007
Energy: 1.4649394304845693
Energy: 1.5175619552171347
Energy: 1.5270421548073816
Energy: 1.378582165996854
Energy: 1.5270421548093231
Energy: 1.5175619552164876
Energy: 1.5270421548080289
Energy: 1.3419335895640785
Energy: 1.438417225250164
Energy: 1.3783534562634818
Energy: 1.4384172252630791
Energy: 1.341933589565373
Energy: 1.4384172252514582
Energy: 1.511896121619868
Energy: 1.5586693716203535
Energy: 1.2981746213254874
Energy: 1.558669371619059
Energy: 1.5118961216192208
Energy: 1.558669371619059
Energy: 1.3302137573725044
Energy: 1.5194722614292786
Energy: 1.3326411941798098
Energy: 1.5194722614305731
Energy: 1.3302137573725044
Energy: 1.5194722614299259
Energy: 1.2965456165095048
Energy: 1.559255003227147
Energy: 1.512706251053645
Energy: 1.559255003227147
Energy: 1.2965456165095048
Energy: 1.559255003227147
Energy: 1.3768471507328088
Energy: 1.4332618494928104
Energy: 1.3449187154323514
Energy: 1.4332618494928104
Energy: 1.3768471507328088
Energy: 1.4332618494928104
Energy: 1.3731642697643465
Energy: 1.5105784023241666
Energy: 1.5211842433324703
Energy: 1.5105784023254611
Energy: 1.3731642697643465
Energy: 1.5105784023248139
Energy: 1.3586007228890784
Energy: 1.4650091037682706
Energy: 1.387473608336757
Energy: 1.4650091037676234
Energy: 1.3586007228890784
Energy: 1.4650091037682706
Energy: 1.3949485791805296
Energy: 1.515477736151625
Energy: 1.3909955876725522
Energy: 1.5154777361509777
Energy: 1.3949485791805296
Energy: 1.5154777361522722
Energy: 1.4179806422663532
Energy: 1.5514225487881244
Energy: 1.5432189532739158
Energy: 1.5514225487881244
Energy: 1.4179806422670005
Energy: 1.5514225487894189
Energy: 1.3529814407795187
Energy: 1.4360898041401275
Energy: 1.3356894869279492
Energy: 1.436089804142069
Energy: 1.3529814407433027
Energy: 1.4360898041407748
Energy: 1.36267578091194
Energy: 1.4866713048544615
Energy: 1.3733103264193876
Energy: 1.4866713048551088
Energy: 1.36267578091194
Energy: 1.4866713048551088
Energy: 1.3964657451561888
Energy: 1.5128906109728057
Energy: 1.5276303740715613
Energy: 1.5128906109721585
Energy: 1.3964657451561888
Energy: 1.5128906109721585
Energy: 1.3647937897622227
Energy: 1.5263432995979118
Energy: 1.5549654462828137
Energy: 1.5263432995979118
Energy: 1.3647937897609281
Energy: 1.526343299598559
Energy: 1.408467739294447
Energy: 1.5463711139838003
Energy: 1.4409406284666655
Energy: 1.5463711139838003
Energy: 1.4084677392937996
Energy: 1.5463711139838003
Energy: 1.454602173757049
Energy: 1.4865535483576235
Energy: 1.5417572652273883
Energy: 1.4865535483576235
Energy: 1.4546021737576962
Energy: 1.4865535483576235
Energy: 1.3916745582194288
Energy: 1.5042891754024361
Energy: 1.5131753420375693
Energy: 1.5042891754024361
Energy: 1.3916745582194288
Energy: 1.5042891754024361
Energy: 1.3819177171355879
Energy: 1.4676363766527274
Energy: 1.2868950478012982
Energy: 1.4676363766527274
Energy: 1.3819177171349406
Energy: 1.4676363766533747
Energy: 1.3765826126694498
Energy: 1.4845783231081897
Energy: 1.3001803577150342
Energy: 1.484578323108837
Energy: 1.3765826126772167
Energy: 1.484578323108837
Energy: 1.3477223331851271
Energy: 1.5180579200339306
Energy: 1.3234508002691034
Energy: 1.5180579200332833
Energy: 1.3477223331424384
Energy: 1.5180579200339306
Energy: 1.4069680719399873
Energy: 1.5509290926771544
Energy: 1.371163934312599
Energy: 1.5509290926771544
Energy: 1.4069680719399873
Energy: 1.5509290926778017
Energy: 1.3876515676318155
Energy: 1.4610200493125414
Energy: 1.4393651965607905
Energy: 1.4610200493125414
Energy: 1.3876515676318155
Energy: 1.4610200493125414
Energy: 1.438483716917032
Energy: 1.6052867807430906
Energy: 1.7517766712220175
Energy: 1.6052867807430906
Energy: 1.438483716917032
Energy: 1.6052867807430906
Energy: 1.3850229969025776
Energy: 1.4691362394611411
Energy: 1.4297768133793376
Energy: 1.4691362394611411
Energy: 1.3850229969025776
Energy: 1.4691362394611411
Energy: 1.4050214129695244
Energy: 1.5510644402652796
Energy: 1.3710710123996341
Energy: 1.5510644402652796
Energy: 1.4050214129695244
Energy: 1.5510644402646325
Energy: 1.3594632698497113
Energy: 1.4861398644046002
Energy: 1.3291596218147474
Energy: 1.4861398644046002
Energy: 1.359463271171432
Energy: 1.4861398644046002
Energy: 1.4072275789821724
Energy: 1.5190967634562638
Energy: 1.3003918685509734
Energy: 1.5190967634549695
Energy: 1.4072275789815252
Energy: 1.5190967634556165

minimum gb energy = 1.2796486635049384 eV
minimum distance =  2.23852984659061 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.4789290656235525
Energy: 1.43687969530101
Energy: 1.4064533177074277
Energy: 1.43687969530101
Energy: 1.4789290656235525
Energy: 1.43687969530101
Energy: 1.1483166638356241
Energy: 1.4393989502741045
Energy: 1.2507966232322179
Energy: 1.4393989502741045
Energy: 1.1483166638326774
Energy: 1.4393989502741045
Energy: 1.1463388173989366
Energy: 1.3994352995673904
Energy: 1.2720775978092156
Energy: 1.3994352995673904
Energy: 1.1463388173989366
Energy: 1.3994352995673904
Energy: 1.1755944820627537
Energy: 1.4026056573417605
Energy: 1.2818796065417652
Energy: 1.4026056573417605
Energy: 1.1755944820627537
Energy: 1.4026056573417605
Energy: 1.176209660523957
Energy: 1.437608088833327
Energy: 1.2306580633535675
Energy: 1.4376080888318536
Energy: 1.176209660523957
Energy: 1.4376080888318536
Energy: 1.1761027533304007
Energy: 1.3993746830837912
Energy: 1.2246165242554712
Energy: 1.399374683082318
Energy: 1.1761027533304007
Energy: 1.399374683082318
Energy: 1.233482370970038
Energy: 1.399547684518498
Energy: 1.220433130748236
Energy: 1.399547684518498
Energy: 1.2334823709759313
Energy: 1.399547684518498
Energy: 1.1760360738799178
Energy: 1.4373080379215257
Energy: 1.2841616633457522
Energy: 1.4373080379215257
Energy: 1.1760360738799178
Energy: 1.4373080379215257
Energy: 1.1755821647021993
Energy: 1.3953290566887009
Energy: 1.2536563847739008
Energy: 1.3953290566872276
Energy: 1.1755821647021993
Energy: 1.3953290566887009
Energy: 1.162596777090956
Energy: 1.3995344255181166
Energy: 1.268792211709258
Energy: 1.3995344255181166
Energy: 1.162596777090956
Energy: 1.3995344255181166
Energy: 1.1765406320457914
Energy: 1.4393989502741045
Energy: 1.2984791169453571
Energy: 1.4393989502741045
Energy: 1.1765406330737205
Energy: 1.4393989502741045
Energy: 1.4789290656235525
Energy: 1.43687969530101
Energy: 1.3130226358067019
Energy: 1.43687969530101
Energy: 1.4789290656235525
Energy: 1.43687969530101
Energy: 1.1483166638002635
Energy: 1.4393989502741045
Energy: 1.250796623229271
Energy: 1.4393989502741045
Energy: 1.148316663801737
Energy: 1.4393989502741045
Energy: 1.14633881740041
Energy: 1.3994352995673904
Energy: 1.2720775978092156
Energy: 1.3994352995673904
Energy: 1.14633881740041
Energy: 1.3994352995673904
Energy: 1.1755944820627537
Energy: 1.4026056573417605
Energy: 1.2487800289958324
Energy: 1.4026056573417605
Energy: 1.1755944820627537
Energy: 1.4026056573417605
Energy: 1.176209660523957
Energy: 1.4376080888318536
Energy: 1.2306580619824818
Energy: 1.4376080888318536
Energy: 1.176209660523957
Energy: 1.4376080888318536
Energy: 1.1761027533274542
Energy: 1.3993746830837912
Energy: 1.2246165240301492
Energy: 1.3993746830837912
Energy: 1.1761027533274542
Energy: 1.3993746830837912
Energy: 1.2334823710053981
Energy: 1.399547684518498
Energy: 1.220433130748236
Energy: 1.399547684518498
Energy: 1.2334823710142049
Energy: 1.399547684518498
Energy: 1.1760360738799178
Energy: 1.4373080379229992
Energy: 1.2576351291873549
Energy: 1.4373080379229992
Energy: 1.1760360738799178
Energy: 1.4373080379229992

minimum gb energy = 1.1463388173989366 eV
minimum distance =  2.22893810877352 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.2719639013692334
Energy: 1.3858160025233939
Energy: 1.2484230121866502
Energy: 1.3858160025233939
Energy: 1.2719639013692334
Energy: 1.3858160025233939
Energy: 1.4635825546690275
Energy: 1.3204113148336434
Energy: 1.1174178266186834
Energy: 1.3204113148336434
Energy: 1.4635825546690275
Energy: 1.320411314834723
Energy: 1.2541840623733211
Energy: 1.2994982724418096
Energy: 1.1629882637796565
Energy: 1.2994982724418096
Energy: 1.2541840623733211
Energy: 1.299498272442889
Energy: 1.2915253340480042
Energy: 1.3112191142083307
Energy: 1.0930681536611195
Energy: 1.31121911420941
Energy: 1.2915253340480042
Energy: 1.31121911420941
Energy: 1.0815476446453114
Energy: 1.4009183840707549
Energy: 1.143808164538456
Energy: 1.4009183840707549
Energy: 1.081547644644232
Energy: 1.4009183840718342
Energy: 1.090133373912508
Energy: 1.3622639016522207
Energy: 1.0923454861316888
Energy: 1.3622639016522207
Energy: 1.0901333739135874
Energy: 1.3622639016522207
Energy: 1.0867263690518922
Energy: 1.2995654778485
Energy: 1.1107402406835143
Energy: 1.2995654778495795
Energy: 1.0867263690518922
Energy: 1.2995654778485
Energy: 1.4953122550845372
Energy: 1.4137644093571493
Energy: 1.0985364162081759
Energy: 1.4137644093582282
Energy: 1.4953122550845372
Energy: 1.4137644093582282
Energy: 1.4964811403852003
Energy: 1.432331264534607
Energy: 1.4221231147171156
Energy: 1.4323312645356863
Energy: 1.4964811403852003
Energy: 1.432331264534607
Energy: 1.090451181232659
Energy: 1.2991524193066712
Energy: 1.121503690815832
Energy: 1.2991524193055919
Energy: 1.090451181232659
Energy: 1.2991524193045125
Energy: 1.0867168524390187
Energy: 1.3992708653247627
Energy: 1.0888041211925648
Energy: 1.3992708653247627
Energy: 1.0867168524390187
Energy: 1.3992708653247627
Energy: 1.0820315551888555
Energy: 1.3906567259078049
Energy: 1.0962770249265423
Energy: 1.3906567259078049
Energy: 1.0820315551877762
Energy: 1.3906567259078049
Energy: 1.494127056913862
Energy: 1.302065901849336
Energy: 1.2124058548682957
Energy: 1.3020659018471772
Energy: 1.4941270569149416
Energy: 1.302065901849336
Energy: 1.2641687871562854
Energy: 1.2991770408779972
Energy: 1.118769385975301
Energy: 1.2991770408779972
Energy: 1.2641687871562854
Energy: 1.2991770408779972
Energy: 1.4668235120122328
Energy: 1.3672239317543289
Energy: 1.1260081056140236
Energy: 1.3672239317543289
Energy: 1.4668235120133122
Energy: 1.3672239317554082
Energy: 1.2605186090584393
Energy: 1.392320186365429
Energy: 1.26114067320124
Energy: 1.3923201863665087
Energy: 1.2605186090595188
Energy: 1.3923201863665087
Energy: 1.4614538340285184
Energy: 1.3209708633916253
Energy: 1.109598337445277
Energy: 1.3209708633916253
Energy: 1.4614538340285184
Energy: 1.3209708633916253
Energy: 1.269241619774122
Energy: 1.299230361011564
Energy: 1.1448873854758514
Energy: 1.299230361010485
Energy: 1.269241619773043
Energy: 1.299230361011564
Energy: 1.265169607564221
Energy: 1.2948657943236974
Energy: 1.0884151256003534
Energy: 1.2948657943236974
Energy: 1.265169607564221
Energy: 1.2948657943236974
Energy: 1.0806553473860223
Energy: 1.4023611628344883
Energy: 1.1025114937800502
Energy: 1.4023611628344883
Energy: 1.0806553473860223
Energy: 1.4023611628344883
Energy: 1.164301886109114
Energy: 1.3599229746668697
Energy: 1.0832746137309355
Energy: 1.3599229746668697
Energy: 1.1643018860357737
Energy: 1.3599229746668697
Energy: 1.0930817275154243
Energy: 1.3709443264327452
Energy: 1.0834802302344189
Energy: 1.3709443264327452
Energy: 1.0930817275154243
Energy: 1.3709443264327452
Energy: 1.4537494330218474
Energy: 1.3861858912988592
Energy: 1.1516375922022903
Energy: 1.3861858912988592
Energy: 1.4537494330218474
Energy: 1.3861858912988592
Energy: 1.0756924184525654
Energy: 1.4153767943398488
Energy: 1.4608924525817597
Energy: 1.4153767943398488
Energy: 1.0756924184525654
Energy: 1.4153767943398488
Energy: 1.098096455540367
Energy: 1.299774411393079
Energy: 1.0847303987693775
Energy: 1.299774411393079
Energy: 1.098096455540367
Energy: 1.299774411393079
Energy: 1.0922173456219846
Energy: 1.3993549667751088
Energy: 1.083375114954446
Energy: 1.3993549667751088
Energy: 1.0922173456219846
Energy: 1.3993549667751088

minimum gb energy = 1.0756924184525654 eV
minimum distance =  2.25478609353979 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.7010866311016732
Energy: 1.320837711336678
Energy: 1.1310484811500598
Energy: 1.3208377113375285
Energy: 1.7010866311016732
Energy: 1.320837711336678
Energy: 1.747842457404308
Energy: 1.211627142400956
Energy: 1.0226370307028259
Energy: 1.2116271424001053
Energy: 1.7478424574034572
Energy: 1.211627142400956
Energy: 1.1115275156057152
Energy: 1.2653364194459102
Energy: 1.0815519435849115
Energy: 1.2653364194459102
Energy: 1.1115275156057152
Energy: 1.2653364194459102
Energy: 1.5072626557882454
Energy: 1.1902968289522502
Energy: 0.9892111124169299
Energy: 1.1902968289522502
Energy: 1.5072626557890962
Energy: 1.1902968289522502
Energy: 1.1125513548274093
Energy: 1.1767058507807369
Energy: 1.0772254595719508
Energy: 1.1767058507815875
Energy: 1.1125513548274093
Energy: 1.1767058507815875
Energy: 1.3253513880345569
Energy: 1.2528640989661948
Energy: 0.9825134908818998
Energy: 1.2528640989661948
Energy: 1.3253513880337062
Energy: 1.2528640989661948
Energy: 0.985715333031956
Energy: 1.286918284619521
Energy: 0.9890659926281887
Energy: 1.286918284619521
Energy: 0.9857153330311055
Energy: 1.286918284619521
Energy: 1.3046174271373385
Energy: 1.315397928610851
Energy: 1.0330656311575805
Energy: 1.315397928610851
Energy: 1.3046174271373385
Energy: 1.315397928610851
Energy: 1.0105899544537074
Energy: 1.176731072219918
Energy: 1.1477971728071374
Energy: 1.176731072224983
Energy: 1.0105899544537074
Energy: 1.1767310722216193
Energy: 1.3383999666989148
Energy: 1.29237825039622
Energy: 1.42570143529452
Energy: 1.2923782503953691
Energy: 1.3383999666989148
Energy: 1.2923782503953691
Energy: 1.3388394827257888
Energy: 1.2867511298134744
Energy: 1.3888954054598046
Energy: 1.2867511298134744
Energy: 1.3388394827257888
Energy: 1.2867511298134744
Energy: 1.0195727609155565
Energy: 1.3177132748248608
Energy: 0.9923714979006949
Energy: 1.3177132748257117
Energy: 1.0195727609155565
Energy: 1.3177132748257117
Energy: 1.0151210324681623
Energy: 1.284124270823917
Energy: 1.1845377239091706
Energy: 1.284124270823917
Energy: 1.0151210324681623
Energy: 1.284124270823917
Energy: 0.9908173030191803
Energy: 1.2903788504123532
Energy: 1.0197508003606748
Energy: 1.2903788504123532
Energy: 0.9908173030191803
Energy: 1.2903788504132037
Energy: 1.330799101486002
Energy: 1.2653349339207198
Energy: 0.9850195835463197
Energy: 1.2653349339207198
Energy: 1.3307991014851512
Energy: 1.2653349339207198
Energy: 1.034374611269034
Energy: 1.332869273560434
Energy: 0.9867637386562311
Energy: 1.332869273560434
Energy: 1.0343746112724361
Energy: 1.332869273560434
Energy: 1.3097436221961734
Energy: 1.2894118601690316
Energy: 1.0316083196501495
Energy: 1.2894118601690316
Energy: 1.3097436221961734
Energy: 1.2894118601690316
Energy: 1.0782268107647137
Energy: 1.2743110296980553
Energy: 1.0398326290992674
Energy: 1.2743110296980553
Energy: 1.0782268107621618
Energy: 1.2743110296980553
Energy: 1.7499387116605187
Energy: 1.2163342357468365
Energy: 0.996957602709146
Energy: 1.2163342357468365
Energy: 1.7499387121077612
Energy: 1.2163342357468365
Energy: 1.5028961759407244
Energy: 1.3090964417498399
Energy: 1.150918244186215
Energy: 1.3090964417498399
Energy: 1.5028961759407244
Energy: 1.3090964417498399
Energy: 1.7473761878888898
Energy: 1.2097777405109855
Energy: 1.0422714535982651
Energy: 1.2097777405109855
Energy: 1.7473761878888898
Energy: 1.2097777405109855
Energy: 1.0643904095273342
Energy: 1.2736195561612567
Energy: 1.0741212553558295
Energy: 1.2736195561604062
Energy: 1.0643904095264836
Energy: 1.2736195561604062
Energy: 1.3435198657321183
Energy: 1.1935276557463517
Energy: 0.9862796059356561
Energy: 1.1935276557455012
Energy: 1.3435198657321183
Energy: 1.1935276557455012
Energy: 1.0251570100020047
Energy: 1.2184413655155786
Energy: 1.03460055223845
Energy: 1.2184413655164292
Energy: 1.0251570100054073
Energy: 1.2184413655164292
Energy: 1.1666476869409563
Energy: 1.2503530703871952
Energy: 1.0373144842672615
Energy: 1.2503530703871952
Energy: 1.1666476869409563
Energy: 1.2503530703871952
Energy: 0.9910224304989645
Energy: 1.2319010824841123
Energy: 0.9885947283701884
Energy: 1.2319010824841123
Energy: 0.9910224304989645
Energy: 1.2319010824841123
Energy: 1.0828807557027464
Energy: 1.2709488435857237
Energy: 1.0340065753474474
Energy: 1.2709488435857237
Energy: 1.0828807551628612
Energy: 1.2709488435857237
Energy: 1.0182594245121757
Energy: 1.2261980682599993
Energy: 1.3414155600377466
Energy: 1.2261980682599993
Energy: 1.0182594245121757
Energy: 1.2261980682599993
Energy: 1.3080869943295825
Energy: 1.2767653463251214
Energy: 1.3169341201770883
Energy: 1.2767653463251214
Energy: 1.308086994330433
Energy: 1.2767653463251214
Energy: 0.9908173233582981
Energy: 1.2637118799362541
Energy: 1.2994360997758925
Energy: 1.2637118799328517
Energy: 0.9908173233582981
Energy: 1.263711879934553
Energy: 1.0218243121821995
Energy: 1.2708416922602135
Energy: 1.0328398932004594
Energy: 1.2708416922602135
Energy: 1.0218243121821995
Energy: 1.2708416922602135
Energy: 1.015935164546587
Energy: 1.2936865567124416
Energy: 1.2962281268553963
Energy: 1.2936865567124416
Energy: 1.015935164546587
Energy: 1.2936865567124416
Energy: 0.9854484849024263
Energy: 1.2742086117890024
Energy: 1.0494029418486832
Energy: 1.2742086117890024
Energy: 0.985448484903277
Energy: 1.2742086117898528

minimum gb energy = 0.9825134908818998 eV
minimum distance =  2.24960771113601 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.3756976066890954
Energy: 1.1723434797214554
Energy: 1.0090056485597685
Energy: 1.1723434797232462
Energy: 1.375697606688498
Energy: 1.1723434797214554
Energy: 1.8782986912572668
Energy: 1.056680785160648
Energy: 0.8979065579651944
Energy: 1.0566807851600508
Energy: 1.8782986912566697
Energy: 1.056680785160648
Energy: 1.362472683947689
Energy: 1.1434338524697898
Energy: 0.9647067504746987
Energy: 1.1434338524679988
Energy: 1.362472683948286
Energy: 1.1434338524685956
Energy: 1.7505843786424342
Energy: 1.0262845762630286
Energy: 0.879594190446799
Energy: 1.0262845762612376
Energy: 1.7505843786424342
Energy: 1.0262845762642225
Energy: 0.9594016502275494
Energy: 1.1323552212006287
Energy: 0.9493815474295358
Energy: 1.1323552212000314
Energy: 0.9594016502281463
Energy: 1.1323552212006287
Energy: 1.5484772438638867
Energy: 1.0886222234915792
Energy: 0.8953031424321856
Energy: 1.0886222234921765
Energy: 1.5484772438638867
Energy: 1.0886222234909821
Energy: 0.9502240116219467
Energy: 1.0984175791551076
Energy: 0.878363729589462
Energy: 1.0984175791551076
Energy: 0.9502240116219467
Energy: 1.0984175791545105
Energy: 1.2485829762280447
Energy: 1.1129001727811247
Energy: 0.8902762303198604
Energy: 1.1129001727853036
Energy: 1.2485829762280447
Energy: 1.112900172776349
Energy: 0.8726874195464321
Energy: 1.133474064769676
Energy: 1.0085424999382435
Energy: 1.133474064769676
Energy: 0.8726874195464321
Energy: 1.133474064769676
Energy: 1.1130795993191107
Energy: 1.1217633604398716
Energy: 1.2156495452844758
Energy: 1.1217633604410655
Energy: 1.1130795993185136
Energy: 1.1217633604410655
Energy: 0.8727760785606169
Energy: 1.105040151048686
Energy: 1.2426865834632266
Energy: 1.105040151048089
Energy: 0.8727760785612138
Energy: 1.105040151048686
Energy: 1.4056093431944918
Energy: 1.1362440404768874
Energy: 1.1936955768384907
Energy: 1.1362440404744996
Energy: 1.4056093431944918
Energy: 1.1362440404744996
Energy: 1.1044669208202984
Energy: 1.1328133964385438
Energy: 1.302543964174679
Energy: 1.1328133964385438
Energy: 1.1044669208197015
Energy: 1.1328133964385438
Energy: 1.0968542058146602
Energy: 1.1458839762216901
Energy: 1.5107015360627858
Energy: 1.1458839762216901
Energy: 1.0968542058128692
Energy: 1.1458839762204962
Energy: 1.1167742228804265
Energy: 1.1053543872036267
Energy: 1.4066832725219542
Energy: 1.1053543872054175
Energy: 1.1167742228798296
Energy: 1.1053543872060145
Energy: 1.108585911164331
Energy: 1.1303611123330175
Energy: 1.1529704367767308
Energy: 1.1303611123324204
Energy: 1.108585911164331
Energy: 1.1303611123318236
Energy: 1.1084260388028129
Energy: 1.1293590641783813
Energy: 1.279678580422593
Energy: 1.1293590641789784
Energy: 1.10842603880341
Energy: 1.1293590641789784
Energy: 0.8778632958865873
Energy: 1.1427909275037378
Energy: 1.101515399200109
Energy: 1.1427909275037378
Energy: 0.8778632958871841
Energy: 1.1427909275031407
Energy: 1.1178147500879585
Energy: 1.1302711862412702
Energy: 1.1543714633014315
Energy: 1.1302711862412702
Energy: 1.1178147500879585
Energy: 1.1302711862412702
Energy: 0.8772726907689006
Energy: 1.1359309852407578
Energy: 0.8999055220907066
Energy: 1.1359309852437427
Energy: 0.8772726907706915
Energy: 1.1359309852383699
Energy: 1.1068410509187014
Energy: 1.1167452209270607
Energy: 0.9901830009788557
Energy: 1.1167452209270607
Energy: 1.1068410509169104
Energy: 1.1167452209282547
Energy: 0.9163365120122691
Energy: 1.14373369366966
Energy: 0.8953287210440476
Energy: 1.14373369366966
Energy: 0.916336512012866
Energy: 1.14373369366966
Energy: 1.413942272886646
Energy: 1.1195574736515166
Energy: 0.8771059882396317
Energy: 1.1195574736521134
Energy: 1.4139422728854518
Energy: 1.1195574736521134
Energy: 0.9579286457275941
Energy: 1.1358037827614154
Energy: 0.8846218281388493
Energy: 1.1358037827614154
Energy: 0.957928645728191
Energy: 1.1358037827620124
Energy: 1.542191237357375
Energy: 1.1340111753132185
Energy: 0.9854576523111717
Energy: 1.1340111753132185
Energy: 1.542191237357972
Energy: 1.1340111753132185
Energy: 1.2297011530244109
Energy: 1.1314197999394424
Energy: 0.8999102270104724
Energy: 1.1314197999388453
Energy: 1.2297011530279927
Energy: 1.1314197999388453
Energy: 1.8807041298382798
Energy: 1.0841575558372951
Energy: 0.8748136461262012
Energy: 1.0841575558378918
Energy: 1.880704129837086
Energy: 1.0841575558378918
Energy: 1.2488883295125341
Energy: 1.1390345253443797
Energy: 1.1039439039598717
Energy: 1.1390345253449767
Energy: 1.2488883295626807
Energy: 1.1390345253443797
Energy: 1.5762261729494675
Energy: 1.1007040110361068
Energy: 0.9954083070581571
Energy: 1.1007040110361068
Energy: 1.5762261729500644
Energy: 1.100704011037898
Energy: 1.227883664841993
Energy: 1.149158833115183
Energy: 1.0998115858364055
Energy: 1.149158833115183
Energy: 1.2278836648407994
Energy: 1.1491588331145859
Energy: 1.5732614586707876
Energy: 1.0364037516611524
Energy: 0.8779633397054557
Energy: 1.0364037516605555
Energy: 1.5732614586713844
Energy: 1.0364037516599585
Energy: 0.9091262619799599
Energy: 1.1146128420333796
Energy: 1.001232173459028
Energy: 1.1146128420339765
Energy: 0.9091262622860513
Energy: 1.1146128420339765
Energy: 1.2540746156470433
Energy: 1.0960864916931392
Energy: 0.8768586301911853
Energy: 1.096086491693736
Energy: 1.2540746156482376
Energy: 1.096086491693736
Energy: 0.906418731353389
Energy: 1.0983665050904943
Energy: 1.27673720264422
Energy: 1.0983665050898974
Energy: 0.9064187313521949
Energy: 1.0983665050898974
Energy: 1.275978689813386
Energy: 1.0982106003946703
Energy: 0.9067953248296966
Energy: 1.0982106003958645
Energy: 1.2759786898145797
Energy: 1.0982106003952674
Energy: 0.8767916591550244
Energy: 1.0962624961661416
Energy: 1.2577334224469514
Energy: 1.0962624961661416
Energy: 0.8767916591550244
Energy: 1.0962624961661416
Energy: 0.9973760645646323
Energy: 1.1146053566611953
Energy: 0.9132930690347552
Energy: 1.1146053566617926
Energy: 0.9973760645640352
Energy: 1.1146053566611953
Energy: 0.8780890945093087
Energy: 1.0377831493245482
Energy: 1.5839419963487638
Energy: 1.0377831493251453
Energy: 0.8780890945093087
Energy: 1.0377831493251453
Energy: 1.0998115858399873
Energy: 1.1324971431098074
Energy: 1.2256443957828103
Energy: 1.1324971431104045
Energy: 1.0998115858387931
Energy: 1.1324971431092103
Energy: 1.107079787096307
Energy: 1.1163823363602958
Energy: 1.5657640879484946
Energy: 1.1163823363596987
Energy: 1.107079787096307
Energy: 1.1163823363602958
Energy: 1.1208838240088648
Energy: 1.1385645638192003
Energy: 1.2563328100032582
Energy: 1.1385645638192003
Energy: 1.1208838240088648
Energy: 1.1385645638186035
Energy: 0.8762024923391046
Energy: 1.0751729414787754
Energy: 1.8781091626197526
Energy: 1.0751729414793725
Energy: 0.8762024923391046
Energy: 1.0751729414787754
Energy: 0.900334393651545
Energy: 1.1304383410666747
Energy: 1.2425931892012652
Energy: 1.1304383410666747
Energy: 0.9003343936509481
Energy: 1.1304383410672718
Energy: 1.1058670638051387
Energy: 1.133969323548069
Energy: 1.5540279355145843
Energy: 1.1339693235528447
Energy: 1.1058670638063324
Energy: 1.1339693235516508
Energy: 0.8770651407218564
Energy: 1.1356883080607305
Energy: 0.9165280393137887
Energy: 1.1356883080619242
Energy: 0.8770651407218564
Energy: 1.1356883080613276
Energy: 0.8771359845682198
Energy: 1.1195574736545015
Energy: 1.4327375776919289
Energy: 1.1195574736550984
Energy: 0.8771359845682198
Energy: 1.1195574736545015
Energy: 0.9039243543871285
Energy: 1.143737941120183
Energy: 0.9088066757280802
Energy: 1.143737941120183
Energy: 0.9039243543865314
Energy: 1.1437379411207798

minimum gb energy = 0.8726874195464321 eV
minimum distance =  2.2835936809965 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.2574380340300007
Energy: 0.2578210185913463
Energy: 0.34917167847891295
Energy: 0.2578210185913463
Energy: 0.2574380340300007
Energy: 0.25782101859093826
Energy: 0.2683895644086247
Energy: 0.8083841036509495
Energy: 0.6369463467653138
Energy: 0.8083841036509495
Energy: 0.2683895644086247
Energy: 0.8083841036505868
Energy: 0.2574380340300007
Energy: 0.2578210185917544
Energy: 0.34917167847891295
Energy: 0.25782101859093826
Energy: 0.2574380340300007
Energy: 0.25782101859093826
Energy: 0.2683895644086247
Energy: 0.8083841036509495
Energy: 0.6369455251081048
Energy: 0.8083841036505868
Energy: 0.2683895644082167
Energy: 0.8083841036505868
Energy: 0.2574380340295927
Energy: 0.2578210185917544
Energy: 0.34917167847855024
Energy: 0.25782101859093826
Energy: 0.2574380340300007
Energy: 0.2578210185913463
Energy: 0.2683895644086247
Energy: 0.8083841036509495
Energy: 0.6369458144467071
Energy: 0.8083841036509495
Energy: 0.2683895644086247
Energy: 0.8083841036509495
Energy: 0.2574380340300007
Energy: 0.2578210185913463
Energy: 0.34917167847855024
Energy: 0.25782101859093826
Energy: 0.2574380340300007
Energy: 0.25782101859093826

minimum gb energy = 0.2574380340295927 eV
minimum distance =  2.43380178305235 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.528033847841025
Energy: 1.1703791150588094
Energy: 1.0943609053322567
Energy: 1.1703791150577234
Energy: 1.5280338478404822
Energy: 1.170379115058266
Energy: 1.8866961281447632
Energy: 0.8625489269744626
Energy: 0.8598778442298673
Energy: 0.8625489269864073
Energy: 1.8866961281442198
Energy: 0.862548926980978
Energy: 1.3735527462834145
Energy: 1.1514186615440931
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Energy: 1.449852783563649
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Energy: 1.190774919350936
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Energy: 1.1253502194565848
Energy: 0.913906159574258
Energy: 1.0675667237079172
Energy: 1.4874763635602937
Energy: 1.067566723711175
Energy: 0.91390615957643
Energy: 1.0675667237084603
Energy: 0.9091529555056604
Energy: 1.1403815141529237
Energy: 1.1916457832435277
Energy: 1.1403815144856038
Energy: 0.9091529555067465
Energy: 1.140381514171384
Energy: 0.8587876539955924
Energy: 1.0712168255845496
Energy: 1.3904451849434756
Energy: 1.071216825582378
Energy: 0.8587876539950494
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Energy: 0.9105794785395043
Energy: 1.139805176561001
Energy: 1.4898669026896338
Energy: 1.13980517656263
Energy: 0.9105794785395043
Energy: 1.139805176560458
Energy: 0.8493247614771837
Energy: 1.0195093340134271
Energy: 1.719163042035023
Energy: 1.0195093339314416
Energy: 0.8493247614766408
Energy: 1.0195093340508412
Energy: 0.8584299229789559
Energy: 1.153517078799512
Energy: 1.4014348082155712
Energy: 1.1535170787989686
Energy: 0.8584299229789559
Energy: 1.153517078795711
Energy: 0.8617846189516458
Energy: 0.9180749189308834
Energy: 1.5212031982599532
Energy: 0.9180749189249603
Energy: 0.8617846189527316
Energy: 0.9180749189206167
Energy: 0.9197095624522251
Energy: 1.1381219524688349
Energy: 1.4489001771117298
Energy: 1.1381219524693778
Energy: 0.919709562452768
Energy: 1.138121952468292
Energy: 0.8556914968192714
Energy: 0.9100909387660039
Energy: 1.5839865348226958
Energy: 0.9100909387681758
Energy: 0.8556914968192714
Energy: 0.9100909387622034
Energy: 0.9113417865136699
Energy: 1.1281207846747834
Energy: 1.1849610706605447
Energy: 1.1281207846753263
Energy: 0.9113417865142129
Energy: 1.1281207846785346
Energy: 0.9442956224133517
Energy: 1.0708115657093829
Energy: 1.31535435040335
Energy: 1.070811565707754
Energy: 0.9442956224144378
Energy: 1.0708115657082966
Energy: 1.157641119093036
Energy: 1.1296414568723385
Energy: 1.1616569066573443
Energy: 1.1296414569119737
Energy: 1.1576411175968149
Energy: 1.1296414568712523

minimum gb energy = 0.8461070266014803 eV
minimum distance =  2.28361597905274 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.4928094893208705
Energy: 1.308532263187313
Energy: 1.1222102236687759
Energy: 1.3085322631865677
Energy: 1.4928094893201254
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Energy: 1.654086451303648
Energy: 0.9762608024852275
Energy: 0.9890352891593673
Energy: 0.976260802483737
Energy: 1.6540864515993532
Energy: 0.9762608024844824
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Energy: 1.2822057584164972
Energy: 1.1076327249683402
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Energy: 1.405543172227328
Energy: 1.2822057584157522
Energy: 1.4773798827557747
Energy: 0.9423358299494387
Energy: 0.9549106018034189
Energy: 0.9423358299345349
Energy: 1.4773798827542846
Energy: 0.9423358299360253
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Energy: 1.2180882513490678
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Energy: 1.1043161538441504
Energy: 1.210570353529372
Energy: 0.9705590055855203
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Energy: 0.9394750505840258
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Energy: 0.944837166733004
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Energy: 1.2719397027945096
Energy: 0.9448371667337491
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Energy: 0.9441571279680501
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Energy: 1.267622055518367
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Energy: 0.9441571279680501
Energy: 1.2703525956718305
Energy: 0.9414540621567642
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Energy: 1.0202220483716937
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Energy: 0.9414540621552739
Energy: 1.2842908816685386
Energy: 0.9397492860205988
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Energy: 1.090403330103856
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Energy: 0.9397492860205988
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Energy: 1.2637962573307628
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Energy: 1.272971140076332
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Energy: 1.2786556520568735
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Energy: 1.2793115257454208
Energy: 1.2786556520561285
Energy: 1.3059100643557897
Energy: 1.278541299094871
Energy: 0.9520469512036439
Energy: 1.2785412990941258
Energy: 1.3059100643550445
Energy: 1.2785412991008325
Energy: 1.2981592570339318
Energy: 1.2718395813631265
Energy: 1.1106255318114957
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Energy: 1.2981592570302058
Energy: 1.2718395813631265
Energy: 1.4734053714275104
Energy: 1.2653684845103266
Energy: 0.9460594181754507
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Energy: 1.4734053714155875
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Energy: 1.7012623187242197
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Energy: 0.9460100456308592
Energy: 1.2527343422924284
Energy: 1.7012623187234746
Energy: 1.25273434229839
Energy: 1.3022790171433762
Energy: 1.267399510173632
Energy: 1.3158544844078437
Energy: 1.267399510173632
Energy: 1.302279017142631
Energy: 1.267399510173632
Energy: 1.302713338011468
Energy: 1.281304715203871
Energy: 0.9520041011647199
Energy: 1.2813047152016355
Energy: 1.302713338011468
Energy: 1.281304715203871
Energy: 1.2784962718960573
Energy: 1.2709143811507153
Energy: 0.9447391696193775
Energy: 1.2709143811507153
Energy: 1.278496271895312
Energy: 1.27091438114997
Energy: 1.2798165657821245
Energy: 1.264407733140544
Energy: 0.9708648517987507
Energy: 1.264407733140544
Energy: 1.2798165657821245
Energy: 1.264407733140544
Energy: 0.941357304336235
Energy: 1.2136929973795343
Energy: 1.2569456840713478
Energy: 1.2136929973810247
Energy: 0.941357304336235
Energy: 1.2136929973810247
Energy: 0.9432434199655456
Energy: 1.2772868753164492
Energy: 1.0200720074334144
Energy: 1.277286875311978
Energy: 0.9432434199655456
Energy: 1.277286875295584
Energy: 0.9441484312709629
Energy: 1.2703525956725759
Energy: 1.251411125560075
Energy: 1.2703525956725759
Energy: 0.9441484312709629
Energy: 1.2703525956718305
Energy: 0.9445775351974075
Energy: 1.271245862808163
Energy: 1.3004664215438382
Energy: 1.271245862808163
Energy: 0.9445775351996432
Energy: 1.2712458628059278
Energy: 0.9393854674214366
Energy: 1.2882512969295865
Energy: 1.4552146494708178
Energy: 1.2882512969295865
Energy: 0.9393854674214366
Energy: 1.2882512969295865
Energy: 0.9544257792250748
Energy: 1.295408185923059
Energy: 1.3482086585066047
Energy: 1.295408185923059
Energy: 0.9544257792250748
Energy: 1.295408185923804
Energy: 0.9441224630425818
Energy: 1.0776057518830127
Energy: 1.5176197373663707
Energy: 1.0776057518629263
Energy: 0.9441224630433271
Energy: 1.0776057519850701
Energy: 0.9862181912217416
Energy: 1.2679242066175644
Energy: 1.2922390843256426
Energy: 1.2679242066183098
Energy: 0.9862181912217416
Energy: 1.2679242066175644
Energy: 0.9397643984059219
Energy: 1.0742823442550649
Energy: 1.4852714039477188
Energy: 1.074282344269223
Energy: 0.9397643984059219
Energy: 1.0742823442587908
Energy: 0.9505627887315541
Energy: 1.214754456105372
Energy: 1.0061471554321022
Energy: 1.2147544561016461
Energy: 0.9505627887315541
Energy: 1.2147544561031365
Energy: 0.9649103713069916
Energy: 1.2255436101926687
Energy: 1.103638014149771
Energy: 1.2255436101926687
Energy: 0.9649103713069916
Energy: 1.2255436101926687

minimum gb energy = 0.9393854674214366 eV
minimum distance =  2.19961585547205 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.5925488415209854
Energy: 1.438133100206736
Energy: 1.1866154852319415
Energy: 1.438133100206736
Energy: 1.5925488415209854
Energy: 1.438133100206736
Energy: 1.4067940813024693
Energy: 1.0571715453067394
Energy: 1.0540682685427578
Energy: 1.0571715453076547
Energy: 1.4067940812896544
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Energy: 1.1036966885293198
Energy: 1.3363559080895302
Energy: 1.1835175358527377
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Energy: 1.0046124346691299
Energy: 1.0165036814082526
Energy: 1.0046124346682146
Energy: 1.4218841461793268
Energy: 1.0046124346672995
Energy: 1.028086988685263
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Energy: 1.007176395054035
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Energy: 1.3311631475762213
Energy: 1.0326986798533484
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Energy: 1.2268828150455349
Energy: 1.1784530904784865
Energy: 1.011476168513771
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Energy: 1.1090141977816241
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Energy: 1.1782918577848107
Energy: 1.4304917072105354
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Energy: 1.0072210232444303
Energy: 1.3204541180088152
Energy: 1.108958621949356
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Energy: 1.007221023243515
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Energy: 1.0040950928796775
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Energy: 1.377844078463094
Energy: 1.0332558723918408
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Energy: 1.004056953962474
Energy: 1.3502073213287955
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Energy: 1.0040569539615585
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Energy: 1.410209494117453
Energy: 1.1833973194167875
Energy: 1.0170705367774282
Energy: 1.1833973194195335
Energy: 1.4102094941192835
Energy: 1.1833973194167875
Energy: 1.4394410835808487
Energy: 1.3690396072165703
Energy: 1.2358845871478175
Energy: 1.3690396072165703
Energy: 1.4394410835808487
Energy: 1.3690396072174857
Energy: 1.5501683861720188
Energy: 1.3659460985744452
Energy: 1.005885242788912
Energy: 1.3659460985753604
Energy: 1.5501683861720188
Energy: 1.3659460985753604
Energy: 1.5403768525831856
Energy: 1.3687979395238283
Energy: 1.0101316269663403
Energy: 1.3687979395238283
Energy: 1.5403768525831856
Energy: 1.3687979395238283
Energy: 1.4446811386006013
Energy: 1.369827517166233
Energy: 1.0158831342552408
Energy: 1.369827517166233
Energy: 1.4446811386006013
Energy: 1.3698275171653176
Energy: 1.425966562869514
Energy: 1.4180429320048051
Energy: 1.0190457263921573
Energy: 1.4180429320048051
Energy: 1.4259665628704292
Energy: 1.4180429320048051
Energy: 1.0044083138599453
Energy: 1.3692949167640167
Energy: 1.00450911916839
Energy: 1.3692949167640167
Energy: 1.0044083138599453
Energy: 1.3692949167640167
Energy: 1.004784720698786
Energy: 1.3780055893439247
Energy: 1.0342336354719472
Energy: 1.3780055893439247
Energy: 1.004784720698786
Energy: 1.3780055893439247
Energy: 1.0050080276986522
Energy: 1.3714219404542793
Energy: 1.0028114192304607
Energy: 1.3714219404542793
Energy: 1.0050080276995674
Energy: 1.3714219404542793
Energy: 1.0064188858390937
Energy: 1.4173022620465545
Energy: 1.1092694843884474
Energy: 1.417302262045639
Energy: 1.0064188858390937
Energy: 1.4173022620465545
Energy: 1.005362049703029
Energy: 1.3725431418333602
Energy: 1.4259347322578964
Energy: 1.3725431418333602
Energy: 1.005362049703029
Energy: 1.3725431418333602
Energy: 1.0162752145101117
Energy: 1.3834009427920018
Energy: 1.4746512403494345
Energy: 1.3834009427920018
Energy: 1.0162752145101117
Energy: 1.3834009427920018
Energy: 1.005280927515844
Energy: 1.3612222042721793
Energy: 1.2958973823828577
Energy: 1.3612222042730946
Energy: 1.005280927515844
Energy: 1.3612222042721793
Energy: 1.0754581840618236
Energy: 1.323921100334869
Energy: 1.1135206612902944
Energy: 1.323921100334869
Energy: 1.0754581840618236
Energy: 1.323921100334869
Energy: 1.0049909585631243
Energy: 1.1715467093068948
Energy: 1.2106528810279036
Energy: 1.1715467094862382
Energy: 1.0049909585622088
Energy: 1.1715467093874237
Energy: 1.006244915717925
Energy: 1.3319923102629005
Energy: 1.029160233518649
Energy: 1.3319923102629005
Energy: 1.0062449157170095
Energy: 1.3319923102629005

minimum gb energy = 1.0028114192304607 eV
minimum distance =  2.23399112693013 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.221839779425777
Energy: 1.5232197049056901
Energy: 1.3095120744877624
Energy: 1.5232197049056901
Energy: 1.221839779425777
Energy: 1.5232197049056901
Energy: 1.3707394221108806
Energy: 1.1616128608363159
Energy: 1.1647042061803972
Energy: 1.161612860838686
Energy: 1.3707394221108806
Energy: 1.1616128608375011
Energy: 1.106898481753561
Energy: 1.5017688570570273
Energy: 1.289587672320491
Energy: 1.5017688570570273
Energy: 1.106898481753561
Energy: 1.5017688570570273
Energy: 1.0853417349269554
Energy: 1.0891043289611002
Energy: 1.1677125709310927
Energy: 1.0891043289611002
Energy: 1.0853417349269554
Energy: 1.0891043289599152
Energy: 1.1036046733689144
Energy: 1.11424040361097
Energy: 1.0880859349978043
Energy: 1.11424040361097
Energy: 1.1036046733689144
Energy: 1.11424040361097
Energy: 1.0884908643841622
Energy: 1.4842595820529705
Energy: 1.1590980797814652
Energy: 1.4842595820517852
Energy: 1.0884908643841622
Energy: 1.4842595820517852
Energy: 1.0879663122443395
Energy: 1.3004154117109499
Energy: 1.3733265173126465
Energy: 1.3004154117109499
Energy: 1.0879663122443395
Energy: 1.3004154117109499
Energy: 1.1032367458382724
Energy: 1.4938434431194068
Energy: 1.2258832245333822
Energy: 1.4938434431194068
Energy: 1.1032367458382724
Energy: 1.4938434431194068
Energy: 1.166209422846816
Energy: 1.1628072132641545
Energy: 1.0863910987211376
Energy: 1.1628072132641545
Energy: 1.166209422846816
Energy: 1.1628072132641545
Energy: 1.085609019334806
Energy: 1.4794761995882861
Energy: 1.159363451676002
Energy: 1.4794761995882861
Energy: 1.085609019334806
Energy: 1.4794761995882861
Energy: 1.0880065367842693
Energy: 1.0855218455931945
Energy: 1.0884881562410036
Energy: 1.0855218455920093
Energy: 1.0880065367842693
Energy: 1.0855218455908244
Energy: 1.1355926928042983
Energy: 1.3089894085332903
Energy: 1.1653782231561052
Energy: 1.308989408539216
Energy: 1.1355926928042983
Energy: 1.3089894085297347
Energy: 1.174004139507681
Energy: 1.5147179052728503
Energy: 1.1200424493932655
Energy: 1.5147179052728503
Energy: 1.174004139507681
Energy: 1.5147179052728503
Energy: 1.3804813961175597
Energy: 1.46822858486185
Energy: 1.0880268926715644
Energy: 1.46822858486185
Energy: 1.3804813961187448
Energy: 1.46822858486185
Energy: 1.6424011956750364
Energy: 1.494734282091807
Energy: 1.092325891504442
Energy: 1.494734282091807
Energy: 1.6424011956750364
Energy: 1.494734282091807
Energy: 1.0814938635441858
Energy: 1.5147661448198582
Energy: 1.1265332282465315
Energy: 1.5147661448210434
Energy: 1.0814938635441858
Energy: 1.5147661448198582
Energy: 1.1407050556626779
Energy: 1.3222946138604281
Energy: 1.0858194676049915
Energy: 1.3222946139172893
Energy: 1.1407050556626779
Energy: 1.3222946139682243
Energy: 1.0801374959954224
Energy: 1.5487298895708934
Energy: 1.0801575644652448
Energy: 1.5487298895720785
Energy: 1.0801374959954224
Energy: 1.5487298895708934
Energy: 1.0857259157868453
Energy: 1.50341486564391
Energy: 1.1321269766920954
Energy: 1.50341486564391
Energy: 1.0857259157868453
Energy: 1.5034148656450954
Energy: 1.110827319057456
Energy: 1.507590349250112
Energy: 1.0872364622816846
Energy: 1.5075903492489269
Energy: 1.110827319057456
Energy: 1.5075903492512972
Energy: 1.0966201109833302
Energy: 1.491096723467375
Energy: 1.6420464823987215
Energy: 1.491096723467375
Energy: 1.0966201109833302
Energy: 1.491096723467375
Energy: 1.0874687605177227
Energy: 1.4856080898142079
Energy: 1.4101963933895068
Energy: 1.4856080898142079
Energy: 1.0874687605177227
Energy: 1.4856080898153932
Energy: 1.177120283517733
Energy: 1.5016497511756155
Energy: 1.1378404478682411
Energy: 1.5016497511756155
Energy: 1.177120283517733
Energy: 1.5016497511756155
Energy: 1.165228764214972
Energy: 1.3054174672618333
Energy: 1.082322414293878
Energy: 1.3054174673613599
Energy: 1.165228764214972
Energy: 1.305417466714531

minimum gb energy = 1.0801374959954224 eV
minimum distance =  2.2484468886647 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.6048021994228405
Energy: 1.4482713419888418
Energy: 1.402285453123428
Energy: 1.448271341585061
Energy: 1.6048021994228405
Energy: 1.4482713419117808
Energy: 1.4566362194390892
Energy: 1.182948718867808
Energy: 1.18925302923594
Energy: 1.182948718867808
Energy: 1.4566362194390892
Energy: 1.182948718866132
Energy: 1.4839902220286039
Energy: 1.371230801466556
Energy: 1.6805756182872573
Energy: 1.3712308014682322
Energy: 1.4839902220269279
Energy: 1.3712308014682322
Energy: 1.1936166745460253
Energy: 1.3494589507945056
Energy: 1.446206278653252
Energy: 1.3494589507945056
Energy: 1.1936166745460253
Energy: 1.3494589507945056
Energy: 1.1847650457126664
Energy: 1.1729485829963633
Energy: 1.1948725246313903
Energy: 1.1729485829980395
Energy: 1.1847650457126664
Energy: 1.1729485829980395
Energy: 1.2017912617567987
Energy: 1.2090230954244345
Energy: 1.2673174364786532
Energy: 1.2090230954211205
Energy: 1.201791261755123
Energy: 1.2090230954244345
Energy: 1.1946179503186585
Energy: 1.371476988879275
Energy: 1.4586458725574598
Energy: 1.3714769888692184
Energy: 1.1946179503186585
Energy: 1.3714769888742466
Energy: 1.4397362090922605
Energy: 1.5881158916803024
Energy: 1.4460484603123394
Energy: 1.5881158916803024
Energy: 1.4397362090922605
Energy: 1.5881158916803024
Energy: 1.4300104110996115
Energy: 1.438400636677765
Energy: 1.2087392403714692
Energy: 1.438400636677765
Energy: 1.4300104110996115
Energy: 1.438400636677765
Energy: 1.5223886903854376
Energy: 1.1850247114224353
Energy: 1.188038459206018
Energy: 1.1850247114224353
Energy: 1.5223886903854376
Energy: 1.1850247114224353
Energy: 1.5857711054835397
Energy: 1.6136721967891818
Energy: 1.1845021809683658
Energy: 1.6136721967891818
Energy: 1.5857711054835397
Energy: 1.6136721967891818
Energy: 1.4405269925109496
Energy: 1.4221373007099234
Energy: 1.1917469885462226
Energy: 1.4221373007149516
Energy: 1.4405269925109496
Energy: 1.4221373007115994
Energy: 1.4391934121782592
Energy: 1.6606792541600301
Energy: 1.4276364027667687
Energy: 1.6606792541617066
Energy: 1.4391934121782592
Energy: 1.6606792541600301
Energy: 1.1984226837633687
Energy: 1.3923147697423008
Energy: 1.4279313499380915
Energy: 1.3923147697171596
Energy: 1.1984226837650447
Energy: 1.3923147697322442
Energy: 1.1885547362464552
Energy: 1.5548375720091732
Energy: 1.2428964557912396
Energy: 1.5548375720091732
Energy: 1.1885547362464552
Energy: 1.5548375720091732
Energy: 1.1926125625375459
Energy: 1.683757627319595
Energy: 1.194137431268044
Energy: 1.683757627319595
Energy: 1.1926125625375459
Energy: 1.683757627319595
Energy: 1.1923614408297676
Energy: 1.5051426118542435
Energy: 1.427448319645527
Energy: 1.5051426118542435
Energy: 1.1923614408297676
Energy: 1.5051426118542435

minimum gb energy = 1.1729485829963633 eV
minimum distance =  2.2684559349382 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.7667034733611273
Energy: 1.7091734330134465
Energy: 1.59746736743415
Energy: 1.7091734330140937
Energy: 1.7667034733617746
Energy: 1.7091734330140937
Energy: 1.4820977838803617
Energy: 1.197876264643065
Energy: 1.2003301533111883
Energy: 1.197876264643065
Energy: 1.482097783881009
Energy: 1.1978762646437122
Energy: 1.2109332168263034
Energy: 1.2950151031144055
Energy: 1.4302442737005037
Energy: 1.2950151031131112
Energy: 1.2109332168263034
Energy: 1.2950151031202308
Energy: 1.3575359739841326
Energy: 1.5003399913999782
Energy: 1.308998308064128
Energy: 1.500339991368911
Energy: 1.3575359739847797
Energy: 1.5003399913967421
Energy: 1.1991696315009284
Energy: 1.2248119910579587
Energy: 1.541349010880966
Energy: 1.2248119910579587
Energy: 1.1991696315009284
Energy: 1.2248119910579587
Energy: 1.3330319928165046
Energy: 1.5285196736983448
Energy: 1.3669109150697016
Energy: 1.5285196708730882
Energy: 1.333031992817799
Energy: 1.528519671798228
Energy: 1.198334722291708
Energy: 1.352537572507455
Energy: 1.591541653028796
Energy: 1.3525375725061604
Energy: 1.198334722292326
Energy: 1.3525375725106912
Energy: 1.4802235031731379
Energy: 1.3402441185596912
Energy: 1.1928992919876351
Energy: 1.3402441186224439
Energy: 1.480223503171196
Energy: 1.340244118564869
Energy: 1.365000521947076
Energy: 1.5707793181045204
Energy: 1.1848284622862728
Energy: 1.5707793181310572
Energy: 1.3650005219477235
Energy: 1.5707793180831613
Energy: 1.6794567486872976
Energy: 1.25635488494879
Energy: 1.1983497243687316
Energy: 1.2563548849339035
Energy: 1.6794567486872976
Energy: 1.2563548849358452
Energy: 1.3398917279026115
Energy: 1.6993207733406952
Energy: 1.323605692958615
Energy: 1.6993207733413425
Energy: 1.3398917279019642
Energy: 1.6993207733413425
Energy: 1.1846855379070687
Energy: 1.6160548857665098
Energy: 1.2084852343327934
Energy: 1.6160548857678043
Energy: 1.1846855379070687
Energy: 1.616054885767157
Energy: 1.196081502384268
Energy: 1.3764471071312199
Energy: 1.7573026027435172
Energy: 1.3764471070749393
Energy: 1.196081502384268
Energy: 1.3764471071312199
Energy: 1.186514124397225
Energy: 1.7343265183032055
Energy: 1.7569322383179151
Energy: 1.7343265183025582
Energy: 1.186514124396578
Energy: 1.7343265183025582
Energy: 1.19668450048396
Energy: 1.6964036732708603
Energy: 1.3259737396626394
Energy: 1.6964036732708603
Energy: 1.1966845004833129
Energy: 1.6964036732715075
Energy: 1.3160008517370374
Energy: 1.6570615761691037
Energy: 1.2087518780678712
Energy: 1.6570615761710457
Energy: 1.3160008517370374
Energy: 1.657061576169751
Energy: 1.3344876702480877
Energy: 1.5174623399024696
Energy: 1.1924302601267533
Energy: 1.5174623398998808
Energy: 1.3344876702480877
Energy: 1.5174623398998808
Energy: 1.7033803574511326
Energy: 1.5459635652012085
Energy: 1.182279221565607
Energy: 1.5459635636679288
Energy: 1.7033803574517798
Energy: 1.5459635640444747
Energy: 1.5313140992925396
Energy: 1.51466448295947
Energy: 1.2010692324701322
Energy: 1.5146644830804448
Energy: 1.5313140992925396
Energy: 1.5146644790583546
Energy: 1.1935913304687296
Energy: 1.542825847340095
Energy: 1.1930279429177124
Energy: 1.5428258462926567
Energy: 1.1935913304680823
Energy: 1.542825846268738
Energy: 1.2009813252271144
Energy: 1.503856185371782
Energy: 1.6985552508537491
Energy: 1.5038562388986196
Energy: 1.200981325226467
Energy: 1.5038561937634118
Energy: 1.1823788238237558
Energy: 1.5565699915291138
Energy: 1.7035980000645299
Energy: 1.556569991516169
Energy: 1.1823788238231088
Energy: 1.5565699915291138
Energy: 1.1770365472283923
Energy: 1.554505144919649
Energy: 1.3347412900414855
Energy: 1.5545051449164127
Energy: 1.1770365472264506
Energy: 1.554505144915118
Energy: 1.2091932152635305
Energy: 1.50691265447133
Energy: 1.3173340002686416
Energy: 1.506912654468094
Energy: 1.2091932152635305
Energy: 1.5069126544693885
Energy: 1.3166359462677675
Energy: 1.6579246369853322
Energy: 1.1825378151493686
Energy: 1.6579246369833904
Energy: 1.3166359462671204
Energy: 1.6579246369840377
Energy: 1.7797332365809693
Energy: 1.7343296030479909
Energy: 1.1870375091785876
Energy: 1.7343296030479909
Energy: 1.7797332365809693
Energy: 1.7343296030479909
Energy: 1.7527647241962847
Energy: 1.3552384513099567
Energy: 1.1955569692237207
Energy: 1.3552384513067204
Energy: 1.7527647241956374
Energy: 1.355238451311251
Energy: 1.2086282263992763
Energy: 1.6058411318550114
Energy: 1.1855477665888594
Energy: 1.6058411318388306
Energy: 1.2086282263999235
Energy: 1.6058411318744288
Energy: 1.314050082268202
Energy: 1.6278232387966887
Energy: 1.3402140603995554
Energy: 1.6278232387966887
Energy: 1.3140500822675547
Energy: 1.627823238797336
Energy: 1.1980550572486828
Energy: 1.336205347145709
Energy: 1.6818159667618533
Energy: 1.336205347145709
Energy: 1.1980550572486828
Energy: 1.336205347145709
Energy: 1.182698120755866
Energy: 1.559201568297763
Energy: 1.3650680636048356
Energy: 1.5592015682531328
Energy: 1.1826981207571605
Energy: 1.5592015685727219
Energy: 1.1947099762357927
Energy: 1.3453484463350125
Energy: 1.4952650100472147
Energy: 1.34534844632854
Energy: 1.1947099762357927
Energy: 1.3453484463363068
Energy: 1.5907501035420957
Energy: 1.301545759248456
Energy: 1.1983021841213506
Energy: 1.3015457592381003
Energy: 1.5907501035414484
Energy: 1.3015457592704622
Energy: 1.3669450212617962
Energy: 1.5057828230827541
Energy: 1.3261334107097142
Energy: 1.5057828233687158
Energy: 1.3669450212617962
Energy: 1.505782822283767
Energy: 1.4962810948098206
Energy: 1.2248119910573112
Energy: 1.1990368360229728
Energy: 1.2248119910573112
Energy: 1.496281094810468
Energy: 1.224811991056664
Energy: 1.307634582988003
Energy: 1.5450026280482174
Energy: 1.3579698066558248
Energy: 1.5450026280488647
Energy: 1.307634582988003
Energy: 1.5450026280488647
Energy: 1.4302174195278392
Energy: 1.2942139450715926
Energy: 1.2086248966824027
Energy: 1.2942139450709456
Energy: 1.4302174195278392
Energy: 1.2942139450715926
Energy: 1.1956022436978255
Energy: 1.1954501754184714
Energy: 1.49056126803725
Energy: 1.1954501754184714
Energy: 1.1956022436971785
Energy: 1.1954501754191185
Energy: 1.4683942135646135
Energy: 1.7091734330140937
Energy: 1.7667034733643636
Energy: 1.7091734330140937
Energy: 1.4683942135646135
Energy: 1.7091734330140937
Energy: 1.2003301533111883
Energy: 1.197876264643065
Energy: 1.482097783881009
Energy: 1.1978762646437122
Energy: 1.2003301533118353
Energy: 1.1978762646437122
Energy: 1.4302442736778795
Energy: 1.2950151031008137
Energy: 1.2109332168263034
Energy: 1.2950151031001664
Energy: 1.4302442736778795
Energy: 1.2950151031014607
Energy: 1.3089983080654224
Energy: 1.500339991790734
Energy: 1.3575359739796018
Energy: 1.500339991784262
Energy: 1.3089983080654224
Energy: 1.500339991771317
Energy: 1.5413490108796715
Energy: 1.2248119910573112
Energy: 1.1991696315009284
Energy: 1.2248119910579587
Energy: 1.5413490108796715
Energy: 1.2248119910579587

minimum gb energy = 1.1770365472264506 eV
minimum distance =  2.25134481017792 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.3861231805487186
Energy: 1.6790268978457425
Energy: 1.5418885066852388
Energy: 1.6790268978446887
Energy: 1.3861231805497722
Energy: 1.6790268978446887
Energy: 1.2979775386653298
Energy: 1.1613185944658195
Energy: 1.15951104550725
Energy: 1.1613185944668731
Energy: 1.2979775386653298
Energy: 1.161318594467927
Energy: 1.1576012869048324
Energy: 1.3302560316679959
Energy: 1.2818512414592815
Energy: 1.3302560316648342
Energy: 1.1576012869048324
Energy: 1.330256031665888
Energy: 1.4022100068718522
Energy: 1.4720028501848357
Energy: 1.3483319081259153
Energy: 1.4720028501837816
Energy: 1.4022100067854837
Energy: 1.4720028501837816
Energy: 1.1541364407753223
Energy: 1.2226218564465756
Energy: 1.393555638841488
Energy: 1.2226218564855202
Energy: 1.1541364407753223
Energy: 1.2226218564634372
Energy: 1.4069634270271922
Energy: 1.4822319644057746
Energy: 1.3485848694385019
Energy: 1.4822319644057746
Energy: 1.4069634270250844
Energy: 1.4822319644057746
Energy: 1.1550013530914913
Energy: 1.34392922700062
Energy: 1.1706145980844902
Energy: 1.3439292270132663
Energy: 1.1550013530893835
Energy: 1.34392922700062
Energy: 1.6078339091815836
Energy: 1.2514222596328517
Energy: 1.148704938158728
Energy: 1.2514222596328517
Energy: 1.6078339091963376
Energy: 1.2514222596328517
Energy: 1.3833925283175985
Energy: 1.6755384364579484
Energy: 1.1641662542391376
Energy: 1.6755384364579484
Energy: 1.3833925283175985
Energy: 1.6755384364579484
Energy: 1.2655225812674857
Energy: 1.157849286362987
Energy: 1.148924376534189
Energy: 1.1578492863598253
Energy: 1.265522581271701
Energy: 1.157849286361933
Energy: 1.1549117440657684
Energy: 1.4250672850444983
Energy: 1.376112619007838
Energy: 1.4250672850444983
Energy: 1.1549117440668224
Energy: 1.4250672850466062
Energy: 1.205959171140197
Energy: 1.3786857979303755
Energy: 1.345956827141485
Energy: 1.3786857979293217
Energy: 1.2059591711380893
Energy: 1.3786857979261602
Energy: 1.1596196113459394
Energy: 1.501090501316576
Energy: 1.3760218915347797
Energy: 1.501090501316576
Energy: 1.1596196113448853
Energy: 1.501090501315522
Energy: 1.3642942692652051
Energy: 1.5502894903354019
Energy: 1.3469573280381213
Energy: 1.5502894903354019
Energy: 1.3642942692630975
Energy: 1.5502894903385633
Energy: 1.1572910379437067
Energy: 1.3427738349918388
Energy: 1.1654684396329018
Energy: 1.3427738349918388
Energy: 1.1572910379437067
Energy: 1.3427738349950002
Energy: 1.5865741808719718
Energy: 1.6158184965890414
Energy: 1.1473834007523163
Energy: 1.6158184965890414
Energy: 1.5865741808667024
Energy: 1.6158184965890414
Energy: 1.3901925337244867
Energy: 1.739989690885326
Energy: 1.1597328608815771
Energy: 1.7399896908832184
Energy: 1.3901925337244867
Energy: 1.7399896908832184
Energy: 1.322110260980517
Energy: 1.7102969336532672
Energy: 1.1546390985498856
Energy: 1.7102969336532672
Energy: 1.322110260980517
Energy: 1.710296933656429
Energy: 1.1571314621796243
Energy: 1.5086614149965651
Energy: 1.3619688087680744
Energy: 1.5086614149944573
Energy: 1.1571314621806783
Energy: 1.5086614149944573
Energy: 1.3149430463202219
Energy: 1.728518140273375
Energy: 1.3543679341697734
Energy: 1.7285181402723213
Energy: 1.3149430463202219
Energy: 1.7285181402723213
Energy: 1.1522523999316692
Energy: 1.548511931827745
Energy: 1.3801188818677337
Energy: 1.5485119318245837
Energy: 1.1522523999316692
Energy: 1.5485119318193141
Energy: 1.1586359113173494
Energy: 1.5064044600427209
Energy: 1.3553477517443722
Energy: 1.506404460043775
Energy: 1.1586359113184033
Energy: 1.506404460043775
Energy: 1.1646065038644942
Energy: 1.3445106745033877
Energy: 1.157080965801172
Energy: 1.3445106745444404
Energy: 1.1646065038644942
Energy: 1.3445106744412103
Energy: 1.3881142888544733
Energy: 1.7450474795245867
Energy: 1.155527137856142
Energy: 1.745047479523533
Energy: 1.3881142888534195
Energy: 1.7450474795245867
Energy: 1.39159275135344
Energy: 1.8119751592632802
Energy: 1.1517291093509283
Energy: 1.8119751592622262
Energy: 1.391592751354494
Energy: 1.8119751592622262
Energy: 1.1609916285427626
Energy: 1.4018550794403852
Energy: 1.1614883564286584
Energy: 1.401855079462516
Energy: 1.1609916285438167
Energy: 1.4018550794688394
Energy: 1.1553372655430616
Energy: 1.5009170532333496
Energy: 1.3509376966547144
Energy: 1.5009170532344036
Energy: 1.1553372655430616
Energy: 1.500917053229134

minimum gb energy = 1.1473834007523163 eV
minimum distance =  2.25033242701388 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.4610871640195202
Energy: 1.6914071851195671
Energy: 1.5815797061327426
Energy: 1.6914071851195671
Energy: 1.4610871640195202
Energy: 1.691407185118799
Energy: 1.2582178163248354
Energy: 1.2162485497557645
Energy: 1.2012808973344948
Energy: 1.2162485497557645
Energy: 1.2582178163248354
Energy: 1.2162485497549964
Energy: 1.200872121184483
Energy: 1.3556829601660725
Energy: 1.568370910779284
Energy: 1.3556829601813947
Energy: 1.200872121184483
Energy: 1.3556829601867695
Energy: 1.4919613565417162
Energy: 1.653020456743539
Energy: 1.3744632954820317
Energy: 1.653020456743539
Energy: 1.4919613565409484
Energy: 1.6530204567443068
Energy: 1.196915254029872
Energy: 1.273863702134534
Energy: 1.3352849373158462
Energy: 1.273863702134534
Energy: 1.196915254029872
Energy: 1.273863702134534
Energy: 1.414615063670193
Energy: 1.3361065489981272
Energy: 1.2650659726060505
Energy: 1.3361065490257351
Energy: 1.4146150636694252
Energy: 1.3361065489927522
Energy: 1.2650030780952803
Energy: 1.3605489429962696
Energy: 1.2216397095618439
Energy: 1.3605489429717337
Energy: 1.2650030780952803
Energy: 1.3605489429609838
Energy: 1.3579746194525308
Energy: 1.2708419185063082
Energy: 1.1993173362130114
Energy: 1.2708419185070763
Energy: 1.3579746194525308
Energy: 1.2708419185063082
Energy: 1.3862138877309327
Energy: 1.4343057054978787
Energy: 1.3678672833305177
Energy: 1.4343056560436256
Energy: 1.3862138877317007
Energy: 1.4343057215072745
Energy: 1.4263866482513305
Energy: 1.3515384769723295
Energy: 1.2030729692271527
Energy: 1.3515384769193481
Energy: 1.4263866482505627
Energy: 1.3515384769608119
Energy: 1.2015810294480374
Energy: 1.289566919151308
Energy: 1.741081153596062
Energy: 1.2895669191520758
Energy: 1.2015810294480374
Energy: 1.2895669191520758
Energy: 1.214248919696079
Energy: 1.6589329469070568
Energy: 1.4651896838538156
Energy: 1.6589329463191305
Energy: 1.2142489196976145
Energy: 1.658932946458041
Energy: 1.205365342090996
Energy: 1.219679514048734
Energy: 1.3807410165460146
Energy: 1.2196795140479662
Energy: 1.205365342090996
Energy: 1.2196795140479662
Energy: 1.4051370497526765
Energy: 1.4445169884419904
Energy: 1.2556935002440361
Energy: 1.4445169884412223
Energy: 1.405137049739623
Energy: 1.4445169884396867
Energy: 1.3810369820594348
Energy: 1.3963769505085792
Energy: 1.2191056749243272
Energy: 1.3951369782625747
Energy: 1.3810369820594348
Energy: 1.395359401118654
Energy: 1.374787376125382
Energy: 1.4630939519878443
Energy: 1.2046827065134085
Energy: 1.4630939519870765
Energy: 1.3747873761238463
Energy: 1.4630939519824695
Energy: 1.2643301288830626
Energy: 1.4687226417861847
Energy: 1.3987709868625258
Energy: 1.4687226417846488
Energy: 1.2643301288830626
Energy: 1.4687226417846488
Energy: 1.2107363581082913
Energy: 1.363172916439464
Energy: 1.261445439879494
Energy: 1.3631725754596196
Energy: 1.210736358109827
Energy: 1.363172610589901
Energy: 1.2159740968650044
Energy: 1.3459185684676902
Energy: 1.3710196959556378
Energy: 1.3459185683847978
Energy: 1.2159740968642365
Energy: 1.3459185679235313
Energy: 1.201573938618667
Energy: 1.776362670099889
Energy: 1.37880099076053
Energy: 1.7763626700975854
Energy: 1.201573938618667
Energy: 1.7763626700975854
Energy: 1.205239386509181
Energy: 1.395995838169386
Energy: 1.2149869643404267
Energy: 1.3959958381678503
Energy: 1.2052393865099489
Energy: 1.3959958383927598
Energy: 1.7549822803245672
Energy: 1.5167279251656292
Energy: 1.2045395729215378
Energy: 1.5167279251656292
Energy: 1.7549822803230315
Energy: 1.5167279251648615
Energy: 1.8704700612532135
Energy: 1.6694754638809586
Energy: 1.2120754460395704
Energy: 1.6694754638809586
Energy: 1.8704700612532135
Energy: 1.6694754638801907
Energy: 1.2232030404465908
Energy: 1.786942815247471
Energy: 1.217246953778637
Energy: 1.7869428152497744
Energy: 1.2232030404465908
Energy: 1.786942815247471
Energy: 1.2059377745981952
Energy: 1.554019932066956
Energy: 1.3738511382949468
Energy: 1.5540199320354742
Energy: 1.2059377745966595
Energy: 1.5540199321966524
Energy: 1.2160444377583721
Energy: 1.7475274599263093
Energy: 1.4070516456416116
Energy: 1.747527459927077
Energy: 1.2160444377553006
Energy: 1.7475274599263093
Energy: 1.2147190162407215
Energy: 1.4724978134875675
Energy: 1.354407580825435
Energy: 1.4724978134368893
Energy: 1.2147190162407215
Energy: 1.4724978135082645
Energy: 1.354374426087879
Energy: 1.7234041617868932
Energy: 1.3546598206535194
Energy: 1.7234041617868932
Energy: 1.354374426087879
Energy: 1.7234041617868932
Energy: 1.354697479000402
Energy: 1.4741292073141785
Energy: 1.2038542073776668
Energy: 1.4741292000266843
Energy: 1.354697479000402
Energy: 1.4741292029670137
Energy: 1.3801523104703743
Energy: 1.7492884562816065
Energy: 1.2151873113132161
Energy: 1.7492884562808384
Energy: 1.3801523104711422
Energy: 1.7492884562816065
Energy: 1.3746845641673875
Energy: 1.5404048725946131
Energy: 1.2065361173888713
Energy: 1.5404048726030592
Energy: 1.374684564165852
Energy: 1.5404048725923096
Energy: 1.2170783767709485
Energy: 1.5662513782997618
Energy: 1.2020299942122101
Energy: 1.5662513782997618
Energy: 1.2170783767717164
Energy: 1.5662513783005296
Energy: 1.2128417637902236
Energy: 1.4512905678321082
Energy: 1.6611311218450788
Energy: 1.4512905683455533
Energy: 1.212841763789456
Energy: 1.4512905678443937
Energy: 1.2057971304131259
Energy: 1.534220667118738
Energy: 1.751641850018063
Energy: 1.534220667118738
Energy: 1.2057971304138935
Energy: 1.534220667118738
Energy: 1.21038016541304
Energy: 1.3631152371592108
Energy: 1.2767217633122891
Energy: 1.3631152371415851
Energy: 1.2103801654138078
Energy: 1.363115237153068
Energy: 1.3771550566358357
Energy: 1.745367987957788
Energy: 1.200597172840315
Energy: 1.7453679879600916
Energy: 1.3771550566350679
Energy: 1.74536798795702

minimum gb energy = 1.196915254029872 eV
minimum distance =  2.2393289193463 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.2198026816537395
Energy: 1.2299460007818563
Energy: 1.512938279731426
Energy: 1.2299460007818563
Energy: 1.2198026816540282
Energy: 1.2299460007818563
Energy: 1.5173509616510061
Energy: 1.2306485343018563
Energy: 1.2291664365996942
Energy: 1.2306485343024336
Energy: 1.5173509672382657
Energy: 1.2306485343024336
Energy: 1.2303457276152856
Energy: 1.2311830923220397
Energy: 1.8016925087694833
Energy: 1.2311830923222964
Energy: 1.2303457276152856
Energy: 1.2311830923220397
Energy: 1.5129382756624792
Energy: 1.229946000782145
Energy: 1.2198026816540282
Energy: 1.2299460007818563
Energy: 1.5129382730728609
Energy: 1.2299460007818563
Energy: 1.2291664365994057
Energy: 1.2306485343024336
Energy: 1.517350956664416
Energy: 1.2306485343024336
Energy: 1.2291664365996942
Energy: 1.2306485343024336
Energy: 1.8016925087604423
Energy: 1.2311830923217513
Energy: 1.2303457276152856
Energy: 1.2311830923220397
Energy: 1.8016925087593203
Energy: 1.2311830923217513
Energy: 1.2198026816537395
Energy: 1.2299460007815681
Energy: 1.5129382663342112
Energy: 1.2299460007818563
Energy: 1.2198026816540282
Energy: 1.229946000782145
Energy: 1.517350944972422
Energy: 1.2306485343024336
Energy: 1.2291664365999828
Energy: 1.2306485343024336
Energy: 1.5173509462913561
Energy: 1.2306485343024336
Energy: 1.2303457276152856
Energy: 1.2311830923220397
Energy: 1.8016925087621416
Energy: 1.2311830923222964
Energy: 1.2303457276152856
Energy: 1.2311830923214628
Energy: 1.5129382611414455
Energy: 1.2299460007813114
Energy: 1.2198026816540282
Energy: 1.2299460007815681
Energy: 1.512938259375568
Energy: 1.2299460007813114

minimum gb energy = 1.2198026816537395 eV
minimum distance =  2.2558721865955 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.7593978742271204
Energy: 1.7046435351116132
Energy: 1.6877906380818017
Energy: 1.7046435351200557
Energy: 1.7593978742271204
Energy: 1.7046435351158347
Energy: 1.4532273868560641
Energy: 1.2356643601389978
Energy: 1.1668884689703225
Energy: 1.2356643601381536
Energy: 1.453227386633293
Energy: 1.2356643601381536
Energy: 1.1838519568562071
Energy: 1.1955771052665953
Energy: 1.317798376075786
Energy: 1.1955771052674395
Energy: 1.1838519568562071
Energy: 1.1955771052682838
Energy: 1.6405624747505332
Energy: 1.4302428705122252
Energy: 1.2567201360160583
Energy: 1.430242867678444
Energy: 1.6405624747513776
Energy: 1.43024286880082
Energy: 1.235420883326429
Energy: 1.2099399742950807
Energy: 1.5835720173028274
Energy: 1.2099399742950807
Energy: 1.235420883326429
Energy: 1.2099399742959247
Energy: 1.4368919989864555
Energy: 1.2626239682968987
Energy: 1.1720849219136649
Energy: 1.2626239682960545
Energy: 1.4368919989214852
Energy: 1.2626239682960545
Energy: 1.235393796608698
Energy: 1.2156156412716397
Energy: 1.2247865054783433
Energy: 1.2156156412741723
Energy: 1.235393796608698
Energy: 1.2156156412716397
Energy: 1.201252437159258
Energy: 1.6535934964313532
Energy: 1.2649730192643427
Energy: 1.6535934964288204
Energy: 1.2012524371584137
Energy: 1.6535934964313532
Energy: 1.1850600652074736
Energy: 1.1969053951551378
Energy: 1.6415479650113982
Energy: 1.1969053951255886
Energy: 1.1850600652074736
Energy: 1.196905395121367
Energy: 1.1844035310844927
Energy: 1.225252555188867
Energy: 1.1662722603738496
Energy: 1.2252525551897115
Energy: 1.1844035310844927
Energy: 1.2252525551897115
Energy: 1.6477189079768886
Energy: 1.6678003959880896
Energy: 1.2228708047626649
Energy: 1.6678003959889338
Energy: 1.6477189079768886
Energy: 1.6678003959906222
Energy: 1.657589217708029
Energy: 1.4561817438889433
Energy: 1.164499222190891
Energy: 1.4561817438931646
Energy: 1.6575892177071847
Energy: 1.4561817438889433
Energy: 1.1847834105446517
Energy: 1.2979718314979782
Energy: 1.1836214055804177
Energy: 1.2979718314971338
Energy: 1.1847834105446517
Energy: 1.2979718314971338
Energy: 1.1855826815312063
Energy: 1.6326969447223685
Energy: 1.265870345472057
Energy: 1.632696944723213
Energy: 1.1855826815320505
Energy: 1.632696944723213
Energy: 1.2315473463140598
Energy: 1.2728504804174066
Energy: 1.2742646876328474
Energy: 1.2728504804174066
Energy: 1.2315473463140598
Energy: 1.272850480416562
Energy: 1.258677097289393
Energy: 1.4126843376918872
Energy: 1.1719119916490364
Energy: 1.4126843337669295
Energy: 1.258677097289393
Energy: 1.412684337403263
Energy: 1.242767646933422
Energy: 1.5506712557103584
Energy: 1.1712973012866599
Energy: 1.5506712556884075
Energy: 1.242767646933422
Energy: 1.5506712556816535
Energy: 1.2459197238333852
Energy: 1.3243898939444814
Energy: 1.2643229542393537
Energy: 1.3243898939444814
Energy: 1.2459197238316966
Energy: 1.3243898939444814
Energy: 1.186601782586251
Energy: 1.3926396457424206
Energy: 1.265695985677366
Energy: 1.3926396445044573
Energy: 1.1866017825854067
Energy: 1.3926396498606386
Energy: 1.1896223912612303
Energy: 1.4367272127286352
Energy: 1.1638496855502283
Energy: 1.4367272127261406
Energy: 1.1896223912612303
Energy: 1.436727212726985
Energy: 1.6667267590396042
Energy: 1.4885766340357547
Energy: 1.1646911651515484
Energy: 1.4885766340374433
Energy: 1.6667267590404484
Energy: 1.4885766340365991
Energy: 1.64115817694091
Energy: 1.3016236017383267
Energy: 1.220440468577552
Energy: 1.3016236018986604
Energy: 1.64115817694091
Energy: 1.3016236019391856
Energy: 1.1882877528162583
Energy: 1.224262684166454
Energy: 1.164205524339823
Energy: 1.2242626841656095
Energy: 1.1882877528171025
Energy: 1.224262684166454
Energy: 1.1895717999831463
Energy: 1.5098064624657992
Energy: 1.6213298295580472
Energy: 1.5098064624649548
Energy: 1.1895717999831463
Energy: 1.5098064624649548
Energy: 1.201030231807715
Energy: 1.325551793749884
Energy: 1.2608213820360963
Energy: 1.325551793749884
Energy: 1.2010302318068709
Energy: 1.325551793749884
Energy: 1.2336437551547486
Energy: 1.5726522409301917
Energy: 1.2513697202335758
Energy: 1.572652240928503
Energy: 1.2336437551539425
Energy: 1.5726522409411674
Energy: 1.219762654112435
Energy: 1.2360128238164776
Energy: 1.175560028365192
Energy: 1.2360128227860885
Energy: 1.219762654112435
Energy: 1.2360128237903054
Energy: 1.2304778413721846
Energy: 1.4185287729133582
Energy: 1.4161503840410554
Energy: 1.4185287729133582
Energy: 1.2304778413721846
Energy: 1.4185287729108254
Energy: 1.2949024684190482
Energy: 1.6510220014596548
Energy: 1.2596142592374744
Energy: 1.651022001225908
Energy: 1.294902468418204
Energy: 1.651022001598038
Energy: 1.184713415300078
Energy: 1.1956274148822585
Energy: 1.4051158411881544
Energy: 1.1956274148822585
Energy: 1.184713415300078
Energy: 1.1956274148822585
Energy: 1.6171441930700061
Energy: 1.2330461870555602
Energy: 1.1655224894397453
Energy: 1.2330461870538716
Energy: 1.6171441930708503
Energy: 1.2330461870555602
Energy: 1.7685280434525152
Energy: 1.714312439605073
Energy: 1.2233023198272568
Energy: 1.7143124395991631
Energy: 1.768528043451671
Energy: 1.7143124396033844
Energy: 1.4629795058229478
Energy: 1.2287699137670547
Energy: 1.1660722665504553
Energy: 1.2287699137662105
Energy: 1.4629795058221036
Energy: 1.2287699137670547

minimum gb energy = 1.1638496855502283 eV
minimum distance =  2.236553841563 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.419235715215143
Energy: 1.5567913487507083
Energy: 1.5731218304568348
Energy: 1.5567913497246886
Energy: 1.4192357152163457
Energy: 1.556791348029191
Energy: 1.688589106373745
Energy: 1.3156115697133546
Energy: 1.1521018407073664
Energy: 1.3156115697145574
Energy: 1.6885891063749483
Energy: 1.3156115697145574
Energy: 1.1361273216452592
Energy: 1.2177516103950132
Energy: 1.4160100615638915
Energy: 1.2177516103938102
Energy: 1.1361273216452592
Energy: 1.2177516103962163
Energy: 1.5607487542738074
Energy: 1.6717216086837343
Energy: 1.298626357036965
Energy: 1.671721608684937
Energy: 1.5607487542726044
Energy: 1.6717216086837343
Energy: 1.2941339681450847
Energy: 1.7148315788696131
Energy: 1.5667375296085013
Energy: 1.7148315788708164
Energy: 1.2941339681450847
Energy: 1.7148315788696131
Energy: 1.3054688422208756
Energy: 1.170169746647309
Energy: 1.1247616652383174
Energy: 1.170169728557591
Energy: 1.3054688422220786
Energy: 1.1701697549345613
Energy: 1.1408862278858678
Energy: 1.337850959665445
Energy: 1.1432653970752369
Energy: 1.337850959664242
Energy: 1.140886227884665
Energy: 1.337850959664242
Energy: 1.2947513820724792
Energy: 1.6535392335837833
Energy: 1.6979259467238907
Energy: 1.6535392339337422
Energy: 1.2947513820688705
Energy: 1.653539233681225
Energy: 1.2843172562367342
Energy: 1.3059664215004012
Energy: 1.6751571812398554
Energy: 1.3059664215292728
Energy: 1.2843172562367342
Energy: 1.3059664214931832
Energy: 1.2950614557236286
Energy: 1.32928661256127
Energy: 1.131814708061008
Energy: 1.329286612460274
Energy: 1.2950614557224258
Energy: 1.329286612637058
Energy: 1.3181321788780143
Energy: 1.388593554517486
Energy: 1.1588449443217428
Energy: 1.3885935545283126
Energy: 1.3181321788780143
Energy: 1.3885935545235009
Energy: 1.3196292639722882
Energy: 1.1926360247719054
Energy: 1.299498248682335
Energy: 1.1926360247731083
Energy: 1.3196292639722882
Energy: 1.1926360247731083
Energy: 1.144455072316732
Energy: 1.3812662034856613
Energy: 1.297264121500964
Energy: 1.3812662034856613
Energy: 1.1444550723179348
Energy: 1.3812662034856613
Energy: 1.1409857532018477
Energy: 1.3253297744105361
Energy: 1.2912833146773859
Energy: 1.325329774423769
Energy: 1.1409857532030507
Energy: 1.325329774423769
Energy: 1.6411921210027223
Energy: 1.5158002023084325
Energy: 1.2846750339025006
Energy: 1.5158002023072292
Energy: 1.641192119180966
Energy: 1.5158002023084325
Energy: 1.6981788933138429
Energy: 1.7425463828124663
Energy: 1.2864119563565282
Energy: 1.7425463828076544
Energy: 1.698178892641648
Energy: 1.7425463828160752
Energy: 1.1540918329606011
Energy: 1.3442661056822336
Energy: 1.13974653932261
Energy: 1.3442661056822336
Energy: 1.1540918329606011
Energy: 1.3442661056822336
Energy: 1.1401298567475577
Energy: 1.1542094180433884
Energy: 1.3252574486427233
Energy: 1.1542094180241955
Energy: 1.1401298567475577
Energy: 1.1542094180373736
Energy: 1.6344396759325082
Energy: 1.7576350071797373
Energy: 1.2941936957457565
Energy: 1.7576350072193812
Energy: 1.6344396759325082
Energy: 1.757635007224193
Energy: 1.3216506435136708
Energy: 1.7365918355031076
Energy: 1.505161533489601
Energy: 1.7365918354898744
Energy: 1.3216506435136708
Energy: 1.7365918355968852
Energy: 1.5957544375190647
Energy: 1.182275995697082
Energy: 1.1181717838103995
Energy: 1.1822759955083233
Energy: 1.5957544375190647
Energy: 1.182275995931555
Energy: 1.1882798139532962
Energy: 1.3012027262027723
Energy: 1.639830132174002
Energy: 1.3012027262231685
Energy: 1.1882798139544992
Energy: 1.3012027262015695
Energy: 1.590665941430444
Energy: 1.7627037479571803
Energy: 1.2241589741223884
Energy: 1.7627037479680072
Energy: 1.590665941430444
Energy: 1.762703747944002

minimum gb energy = 1.1181717838103995 eV
minimum distance =  2.23284416732719 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.4928213131273982
Energy: 1.4342250163074683
Energy: 1.5762106136318639
Energy: 1.4342250163036525
Energy: 1.4928213131251087
Energy: 1.4342250163036525
Energy: 1.6195906638095192
Energy: 1.526682879026257
Energy: 1.057943655962157
Energy: 1.526682879026257
Energy: 1.6195906638079929
Energy: 1.526682879026257
Energy: 1.0612764061846816
Energy: 1.1438506588045532
Energy: 1.5999353067938908
Energy: 1.1438506588053163
Energy: 1.0612764061846816
Energy: 1.1438506588045532
Energy: 1.1373510675001615
Energy: 1.4355777006872392
Energy: 1.1082598131906531
Energy: 1.4355777006872392
Energy: 1.1373510675001615
Energy: 1.4355777006880024
Energy: 1.417877691888654
Energy: 1.5138379425787314
Energy: 1.3968936981537936
Energy: 1.513837942604644
Energy: 1.417877691888654
Energy: 1.5138379426481436
Energy: 1.4199485947274622
Energy: 1.3852232297231075
Energy: 1.06581936590376
Energy: 1.385223229725397
Energy: 1.419948594728225
Energy: 1.3852232297238707
Energy: 1.0663128330803362
Energy: 1.0896861411008503
Energy: 1.0853453455761837
Energy: 1.0896861411008503
Energy: 1.0663128330803362
Energy: 1.0896861411008503
Energy: 1.0786785158266212
Energy: 1.5101051430673125
Energy: 1.4164528158300476
Energy: 1.5101051431588208
Energy: 1.0786785158266212
Energy: 1.5101051430589176
Energy: 1.4109589488443546
Energy: 1.3215494416217863
Energy: 1.4166288821893278
Energy: 1.3215494416217863
Energy: 1.4109589488443546
Energy: 1.3215494416217863
Energy: 1.1165958203299013
Energy: 1.2822006469780591
Energy: 1.068973965154729
Energy: 1.282200646974278
Energy: 1.1165958203299013
Energy: 1.2963078609602126
Energy: 1.0597172325287791
Energy: 1.4022550353431158
Energy: 1.0862524989099516
Energy: 1.4022550353438792
Energy: 1.0597172325287791
Energy: 1.4022550353438792
Energy: 1.0643123039257167
Energy: 1.1363311720105034
Energy: 1.732040276038985
Energy: 1.136331172011232
Energy: 1.0643123039249536
Energy: 1.136331172011232
Energy: 1.4171142919574196
Energy: 1.624248828483306
Energy: 1.4941536872382513
Energy: 1.6242488284802534
Energy: 1.4171142919574196
Energy: 1.6242488284810168
Energy: 1.0589298400870069
Energy: 1.3852830038212156
Energy: 1.0725665287818533
Energy: 1.3852830038357156
Energy: 1.0589298400877698
Energy: 1.385283003838768
Energy: 1.4241158673055685
Energy: 1.1541007364461917
Energy: 1.0607604444180494
Energy: 1.1541007364461917
Energy: 1.4241158673055685
Energy: 1.1541007364461917
Energy: 1.1066567490039114
Energy: 1.4443503070369634
Energy: 1.6100856679453468
Energy: 1.444350306593781
Energy: 1.1066567490039114
Energy: 1.4443503058393374
Energy: 1.5829686637934768
Energy: 1.6584022420526356
Energy: 1.4555472831841405
Energy: 1.6584022420518725
Energy: 1.5829686637934768
Energy: 1.6584022420511093
Energy: 1.0652727537455005
Energy: 1.0904395161387488
Energy: 1.6395675111506605
Energy: 1.0904395161387488
Energy: 1.0652727537455005
Energy: 1.090439516139512
Energy: 1.3950160991644827
Energy: 1.093865737706046
Energy: 1.063471887606982
Energy: 1.0938657377045196
Energy: 1.3950160991644827
Energy: 1.0938657377045196
Energy: 1.4505833434376205
Energy: 1.6172429281429344
Energy: 1.0789028869678339
Energy: 1.6172429281635048
Energy: 1.4505833434368576
Energy: 1.6172429281322505
Energy: 1.6142287918369236
Energy: 1.4127544898928883
Energy: 1.1132139508981544
Energy: 1.412754489892125
Energy: 1.6142287918369236
Energy: 1.4127544898928883
Energy: 1.0620060652224246
Energy: 1.088518451982094
Energy: 1.4079100014267485
Energy: 1.088518452518346
Energy: 1.0620060652224246
Energy: 1.0885184518531563
Energy: 1.078234364924755
Energy: 1.4033830697139897
Energy: 1.0617174494104347
Energy: 1.4033830697139897
Energy: 1.0782343649239918
Energy: 1.4033830697139897
Energy: 1.4557110218407916
Energy: 1.36798805091723
Energy: 1.0729777981636437
Energy: 1.3679880509492477
Energy: 1.4557110218407916
Energy: 1.3679880509256248
Energy: 1.7259448909263853
Energy: 1.1340550347170133
Energy: 1.0667936030869762
Energy: 1.13405503471625
Energy: 1.7259448909263853
Energy: 1.13405503471625
Energy: 1.081333870041068
Energy: 1.401208331898088
Energy: 1.063561729544495
Energy: 1.401208331898088
Energy: 1.081333870041068
Energy: 1.401208331898088
Energy: 1.0665730384915777
Energy: 1.1014065651566325
Energy: 1.4016274724605475
Energy: 1.1014065651596852
Energy: 1.0665730384915777
Energy: 1.1014065651619747
Energy: 1.420219615645429
Energy: 1.30895125430017
Energy: 1.1260309314962247
Energy: 1.30895125430017
Energy: 1.4202196156446658
Energy: 1.30895125430017
Energy: 1.4168002723434294
Energy: 1.498038995696863
Energy: 1.0950746669277949
Energy: 1.4980389956976259
Energy: 1.4168002723441924
Energy: 1.498038995698389
Energy: 1.0827595668170238
Energy: 1.0934900333501698
Energy: 1.0652288167465018
Energy: 1.0934900333501698
Energy: 1.0827595668177867
Energy: 1.0934900333501698
Energy: 1.0650649106018188
Energy: 1.3245428810577362
Energy: 1.5618599095366308
Energy: 1.3245428811523323
Energy: 1.0650649106018188
Energy: 1.3245428810943676
Energy: 1.3968794245162581
Energy: 1.6240551889584562
Energy: 1.4491976788135832
Energy: 1.624055188962272
Energy: 1.396879424515495
Energy: 1.6240551889607457
Energy: 1.1069273656248384
Energy: 1.473416151274393
Energy: 1.52787227000751
Energy: 1.4734161512728667
Energy: 1.1069273656248384
Energy: 1.4734161512736297
Energy: 1.524114695771848
Energy: 1.1482400051033923
Energy: 1.0632895684825814
Energy: 1.1482400051171289
Energy: 1.524114698511107
Energy: 1.1482400051194184
Energy: 1.0593745452706742
Energy: 1.409015859891722
Energy: 1.5198428435915696
Energy: 1.409015860295255
Energy: 1.0593745452706742
Energy: 1.4090158598032312
Energy: 1.4162198726205553
Energy: 1.6136178927140212
Energy: 1.4948747100571866
Energy: 1.6136178927208895
Energy: 1.4162198726205553
Energy: 1.6136178927056612
Energy: 1.0615179464169857
Energy: 1.7242162839757165
Energy: 1.6255497948175783
Energy: 1.7242162839764796
Energy: 1.0615179464162228
Energy: 1.724216283974953

minimum gb energy = 1.057943655962157 eV
minimum distance =  2.23904897335128 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.9164460532768767
Energy: 0.89901370491932
Energy: 1.5717385424206238
Energy: 0.8990137062876496
Energy: 0.9164460532768767
Energy: 0.8990137043798965
Energy: 1.6537331230630306
Energy: 0.9000246335907544
Energy: 0.8874546341806242
Energy: 0.9000246335907544
Energy: 1.6537331230630306
Energy: 0.9000246335907544
Energy: 0.9167630251946242
Energy: 1.123297835278345
Energy: 1.2679700748547946
Energy: 1.123297835278345
Energy: 0.9167630251946242
Energy: 1.123297835278345
Energy: 1.683257326224917
Energy: 0.8946317661031942
Energy: 0.8877495682976075
Energy: 0.8946317661011106
Energy: 1.683257326224917
Energy: 0.8946317661011106
Energy: 0.9259259478339583
Energy: 0.9058164930618282
Energy: 0.8909976560434618
Energy: 0.9058164930618282
Energy: 0.925925947836042
Energy: 0.9058164930597447
Energy: 0.9169817161482176
Energy: 0.9335944001960843
Energy: 0.8880846659224133
Energy: 0.933594400198168
Energy: 0.9169817161482176
Energy: 0.933594400198168
Energy: 1.6663683268369989
Energy: 0.8953493063333785
Energy: 0.8911921638783765
Energy: 0.8953493063333785
Energy: 1.6663683268369989
Energy: 0.8953493063333785
Energy: 0.9164611908139032
Energy: 0.8945742534041672
Energy: 0.8882931559155465
Energy: 0.8945742534041672
Energy: 0.9164611908159869
Energy: 0.8945742534041672
Energy: 1.6202423892534212
Energy: 0.9354062636991604
Energy: 0.8864811951938177
Energy: 0.9354062636991604
Energy: 1.6202423892534212
Energy: 0.9354062636991604
Energy: 0.9140869424485903
Energy: 1.4546276026806866
Energy: 0.8890549373202662
Energy: 1.4546276026827702
Energy: 0.9140869424485903
Energy: 1.4546276026806866
Energy: 1.5739116606825814
Energy: 0.8938908155067691
Energy: 0.8822557776985723
Energy: 0.8938908155088527
Energy: 1.5739116606825814
Energy: 0.8938908155067691
Energy: 0.9145400488971022
Energy: 1.1213510703123797
Energy: 1.6845776296672708
Energy: 1.1213510703144636
Energy: 0.9145400488971022
Energy: 1.1213510703144636
Energy: 1.5729861997938535
Energy: 0.893018551859564
Energy: 0.8820552578216729
Energy: 0.893018551859564
Energy: 1.5729861997938535
Energy: 0.893018551859564
Energy: 0.9135159293726763
Energy: 1.501158689108483
Energy: 0.8861715584170988
Energy: 1.5011586891063993
Energy: 0.9135159293726763
Energy: 1.5011586891063993

minimum gb energy = 0.8820552578216729 eV
minimum distance =  2.26653701013314 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.5680882469001167
Energy: 1.2286912866430748
Energy: 1.5694343236560993
Energy: 1.228691286619276
Energy: 1.5680882469001167
Energy: 1.2286912866485666
Energy: 1.4157504497280136
Energy: 1.6796409810689412
Energy: 1.1685701884857782
Energy: 1.6796409810689412
Energy: 1.4157504497289288
Energy: 1.6796409810689412
Energy: 1.1714422511886233
Energy: 1.417642421204389
Energy: 1.163022577701048
Energy: 1.417642421204389
Energy: 1.1714422511886233
Energy: 1.417642421204389
Energy: 1.176248613491393
Energy: 1.2237671285150025
Energy: 1.1638571182203117
Energy: 1.2237671285159177
Energy: 1.176248613491393
Energy: 1.2237671285150025
Energy: 1.4018631509693535
Energy: 1.391473808631488
Energy: 1.180015644781634
Energy: 1.3914738086269323
Energy: 1.4018631509702688
Energy: 1.3914738086223555
Energy: 1.2066458185334228
Energy: 1.5662125795377335
Energy: 1.4198467234997398
Energy: 1.5662125795377335
Energy: 1.2066458185343383
Energy: 1.5662125795377335
Energy: 1.1771702241069546
Energy: 1.4448844550568223
Energy: 1.1995228482020088
Energy: 1.4448844558610472
Energy: 1.1771702241069546
Energy: 1.444884455054076
Energy: 1.163684913951585
Energy: 1.2745008324885094
Energy: 1.1677152451671444
Energy: 1.2745008324885094
Energy: 1.163684913951585
Energy: 1.2745008324885094
Energy: 1.4265815570956388
Energy: 1.261025218484959
Energy: 1.1597622524564644
Energy: 1.2610252184730597
Energy: 1.4265815570947233
Energy: 1.2610252184831283
Energy: 1.2333169905165347
Energy: 1.5339796438621267
Energy: 1.2206386188482534
Energy: 1.53397964387309
Energy: 1.2333169905156192
Energy: 1.5339796438667035
Energy: 1.3601478890221088
Energy: 1.3649012075550866
Energy: 1.435229425562096
Energy: 1.3649012053400404
Energy: 1.3601478890221088
Energy: 1.3649012035074377
Energy: 1.1571954740284405
Energy: 1.372655343338475
Energy: 1.453479240982536
Energy: 1.3726553433430515
Energy: 1.1571954740284405
Energy: 1.3726553433348136
Energy: 1.1708098276654266
Energy: 1.4690783434872243
Energy: 1.3075512869167871
Energy: 1.469078343486309
Energy: 1.1708098276654266
Energy: 1.469078343486309
Energy: 1.1804562795691582
Energy: 1.3648866529813883
Energy: 1.179497689059229
Energy: 1.3648866529823036
Energy: 1.1804562795691582
Energy: 1.3648866529813883
Energy: 1.1598847639220733
Energy: 1.6117948032995897
Energy: 1.4238229191933833
Energy: 1.6117948032995897
Energy: 1.1598847639220733
Energy: 1.6117948032995897
Energy: 1.4856899667886483
Energy: 1.6642264940073974
Energy: 1.2617277126833508
Energy: 1.6642264940073974
Energy: 1.485689966782241
Energy: 1.6642264940073974
Energy: 1.2006283622688527
Energy: 1.6483718513340888
Energy: 1.2602520664852481
Energy: 1.6483718513331733
Energy: 1.2006283622679375
Energy: 1.6483718513331733
Energy: 1.4144778531276303
Energy: 1.640454300861746
Energy: 1.197891944381384
Energy: 1.6404543008608305
Energy: 1.4144778531276303
Energy: 1.640454300861746
Energy: 1.1792756197321361
Energy: 1.1789131476797934
Energy: 1.1900809641003032
Energy: 1.1789131476788781
Energy: 1.1792756197321361
Energy: 1.1789131476797934
Energy: 1.161208494125381
Energy: 1.4370049477436522
Energy: 1.1711187626646935
Energy: 1.437004947742737
Energy: 1.161208494124466
Energy: 1.4370049477436522
Energy: 1.4441121045774699
Energy: 1.3658466584853386
Energy: 1.1657494157259425
Energy: 1.3658466585036453
Energy: 1.4441121045774699
Energy: 1.3658466585347455
Energy: 1.5341282129802312
Energy: 1.7103556979177688
Energy: 1.4259447257303908
Energy: 1.7103556979177688
Energy: 1.5341282129802312
Energy: 1.7103556979177688
Energy: 1.1807063332771075
Energy: 1.6913043604501827
Energy: 1.2353413054778932
Energy: 1.6913043604501827
Energy: 1.1807063332771075
Energy: 1.6913043604501827
Energy: 1.16029503333184
Energy: 1.2616467534396576
Energy: 1.4090537468765496
Energy: 1.2616467535073714
Energy: 1.1602950333327553
Energy: 1.261646753432335
Energy: 1.2512779665473328
Energy: 1.267106827007426
Energy: 1.1538192854154292
Energy: 1.267106827006511
Energy: 1.2512779665473328
Energy: 1.267106827007426
Energy: 1.1998271867041643
Energy: 1.4438110216174922
Energy: 1.1813992822048778
Energy: 1.4438110216184077
Energy: 1.1998271867041643
Energy: 1.4438110216174922
Energy: 1.4345214275186544
Energy: 1.3738173110439287
Energy: 1.4031202023833187
Energy: 1.373776890486116
Energy: 1.4345214275186544
Energy: 1.3740041319892764
Energy: 1.1783606606026549
Energy: 1.3708124226261829
Energy: 1.2022722832718018
Energy: 1.3708124226573044
Energy: 1.1783606606026549
Energy: 1.3708124226197755
Energy: 1.1735566256655725
Energy: 1.1855433781898637
Energy: 1.186972837318583
Energy: 1.185543378215472
Energy: 1.1735566256655725
Energy: 1.18554337818071
Energy: 1.1521595777464262
Energy: 1.439562764773978
Energy: 1.1639268727185124
Energy: 1.439562764773978
Energy: 1.1521595777464262
Energy: 1.4395627647730624
Energy: 1.1685617611021089
Energy: 1.6809461257672642
Energy: 1.4132003813449558
Energy: 1.6809461257663487
Energy: 1.1685617611021089
Energy: 1.6809461257672642

minimum gb energy = 1.1521595777464262 eV
minimum distance =  2.22463731940898 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.3943916850727958
Energy: 1.3881265926108612
Energy: 1.3505071295728317
Energy: 1.3881265926108612
Energy: 1.3943916850711668
Energy: 1.3881265926108612
Energy: 1.2626425968511625
Energy: 1.3573835278915765
Energy: 1.2378039651361523
Energy: 1.3573835278932054
Energy: 1.2626425968511625
Energy: 1.3573835278932054
Energy: 1.302926090826417
Energy: 1.3492903456285568
Energy: 1.237751954403257
Energy: 1.3492903456285568
Energy: 1.302926090826417
Energy: 1.3492903456285568
Energy: 1.2378250783004043
Energy: 1.4848532850104648
Energy: 1.2375911901920642
Energy: 1.4848532850104648
Energy: 1.2378250783004043
Energy: 1.4848532850104648
Energy: 1.2374465733239337
Energy: 1.349209259181899
Energy: 1.230195825646139
Energy: 1.349209259181899
Energy: 1.2374465733239337
Energy: 1.349209259181899
Energy: 1.2381011958176613
Energy: 1.353685318728265
Energy: 1.2628346706656715
Energy: 1.3536853186631481
Energy: 1.2381011958176613
Energy: 1.3536853187706148
Energy: 1.3505071295728317
Energy: 1.3881265926108612
Energy: 1.3943916850727958
Energy: 1.3881265926108612
Energy: 1.3505071295728317
Energy: 1.3881265926108612
Energy: 1.2378039651345234
Energy: 1.5601475304673575
Energy: 1.2626425968511625
Energy: 1.3573835278915765
Energy: 1.2378039651345234
Energy: 1.5601475304673575
Energy: 1.2377519544048856
Energy: 1.3492903456285568
Energy: 1.3029260908247882
Energy: 1.3492903456285568
Energy: 1.237751954403257
Energy: 1.3492903456285568
Energy: 1.2375911901920642
Energy: 1.4848532850104648
Energy: 1.2378250783004043
Energy: 1.4848532850104648
Energy: 1.2375911901920642
Energy: 1.4848532850104648
Energy: 1.230195825646139
Energy: 1.349209259181899
Energy: 1.2374465733239337
Energy: 1.349209259181899
Energy: 1.2301958256477679
Energy: 1.349209259181899
Energy: 1.2628346706689293
Energy: 1.3536853187331515
Energy: 1.2381011958160324
Energy: 1.3536853186956879
Energy: 1.2628346706656715
Energy: 1.353685318726636
Energy: 1.3943916850727958
Energy: 1.3881265926108612
Energy: 1.4970195264550443
Energy: 1.3881265926108612
Energy: 1.3943916850711668
Energy: 1.3881265926108612
Energy: 1.2626425968511625
Energy: 1.3918357089252824
Energy: 1.2378039651345234
Energy: 1.3918357089252824
Energy: 1.2626425968511625
Energy: 1.3918357089252824
Energy: 1.3029260908247882
Energy: 1.3492903456285568
Energy: 1.237751954403257
Energy: 1.3492903456285568
Energy: 1.3029260908247882
Energy: 1.3492903456285568
Energy: 1.2378250783004043
Energy: 1.4848532850104648
Energy: 1.2375911901920642
Energy: 1.6182620420707725
Energy: 1.2378250783004043
Energy: 1.4848532850104648
Energy: 1.2374465733239337
Energy: 1.349209259181899
Energy: 1.230195825646139
Energy: 1.349209259181899
Energy: 1.2374465733239337
Energy: 1.349209259181899

minimum gb energy = 1.230195825646139 eV
minimum distance =  2.25784314297477 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.3969846714869285
Energy: 1.6732594710272852
Energy: 1.5068311364647415
Energy: 1.6732594710272852
Energy: 1.3969846742094567
Energy: 1.6732594710272852
Energy: 1.3060315546826586
Energy: 1.480595126846746
Energy: 1.3669778146434746
Energy: 1.4805951268627051
Energy: 1.3060315546826586
Energy: 1.4805951268547257
Energy: 1.3996646533716008
Energy: 1.4017315802839097
Energy: 1.359775554132404
Energy: 1.4017315802839097
Energy: 1.3996646533716008
Energy: 1.4017315802839097
Energy: 1.3920871195488338
Energy: 1.4145826172307612
Energy: 1.3216436326296996
Energy: 1.4145826172307612
Energy: 1.3920871195488338
Energy: 1.4145826172307612
Energy: 1.3214796956417216
Energy: 1.5317228738793773
Energy: 1.3664706228559964
Energy: 1.5317228738793773
Energy: 1.3214796956417216
Energy: 1.5317228738793773
Energy: 1.3921705954472565
Energy: 1.446517760929168
Energy: 1.7870080610538592
Energy: 1.446517760929168
Energy: 1.3921705954472565
Energy: 1.446517760929168
Energy: 1.4017432216216128
Energy: 1.5082072468627366
Energy: 1.3587770109325683
Energy: 1.5082072468627366
Energy: 1.4017432216229426
Energy: 1.5082072468627366
Energy: 1.3425350923339137
Energy: 1.3908119135157713
Energy: 1.3797055629871458
Energy: 1.3908119135663095
Energy: 1.3425350923339137
Energy: 1.3908119135131418
Energy: 1.346166810536759
Energy: 1.604213933719283
Energy: 1.3295152118665234
Energy: 1.604213933719283
Energy: 1.346166810536759
Energy: 1.604213933719283
Energy: 1.3925384962540308
Energy: 1.646791195811511
Energy: 1.3744351607846852
Energy: 1.646791195811511
Energy: 1.3925384962540308
Energy: 1.646791195811511
Energy: 1.3541503668393928
Energy: 1.4088304968226073
Energy: 1.3690264148507316
Energy: 1.4088304968226073
Energy: 1.3541503668380628
Energy: 1.4088304968226073
Energy: 1.3516565554174047
Energy: 1.380214649927229
Energy: 1.3359151072107862
Energy: 1.3802146499245689
Energy: 1.3516565554174047
Energy: 1.3802146499405283
Energy: 1.36479366561416
Energy: 1.4159419000713274
Energy: 1.3477683843733004
Energy: 1.415941900152424
Energy: 1.36479366561416
Energy: 1.4159419001604037
Energy: 1.3536019694153252
Energy: 1.3878783174268403
Energy: 1.320313986429088
Energy: 1.38787831743216
Energy: 1.3536019694166552
Energy: 1.3878783174308302
Energy: 1.3868276107999056
Energy: 1.4996817114517675
Energy: 1.372633773602809
Energy: 1.4996817114517675
Energy: 1.3868276107999056
Energy: 1.4996817114517675
Energy: 1.3562974647240822
Energy: 1.51686783188264
Energy: 1.328457926944368
Energy: 1.51686783188264
Energy: 1.3562974647240822
Energy: 1.51686783188264
Energy: 1.3424659802329595
Energy: 1.4063624786042384
Energy: 1.3334168721095903
Energy: 1.406362479028281
Energy: 1.3424659802329595
Energy: 1.4063624749086105
Energy: 1.4186618797727575
Energy: 1.5233283303972471
Energy: 1.3731893700849682
Energy: 1.5233283303985772
Energy: 1.4186618797740873
Energy: 1.5233283303985772
Energy: 1.3539445338051224
Energy: 1.4296716304010606
Energy: 1.3148183688699917
Energy: 1.4296716304023906
Energy: 1.3539445338051224
Energy: 1.4296716304023906
Energy: 1.3809513576013879
Energy: 1.523524683156849
Energy: 1.3596618174546249
Energy: 1.523524683155519
Energy: 1.3809513576013879
Energy: 1.523524683155519
Energy: 1.3520023355216437
Energy: 1.4019256905838124
Energy: 1.3446464789089918
Energy: 1.4019256905838124
Energy: 1.3520023355216437
Energy: 1.4019256905851423

minimum gb energy = 1.3060315546826586 eV
minimum distance =  2.27264002117849 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.5554314471296062
Energy: 1.426363349631237
Energy: 1.617480242579889
Energy: 1.4263633494048866
Energy: 1.555760580603719
Energy: 1.426363350683445
Energy: 1.4989549321278868
Energy: 1.362130175843566
Energy: 1.3327599148080767
Energy: 1.3621301753516286
Energy: 1.4989549321278868
Energy: 1.3621301769237748
Energy: 1.360158026789301
Energy: 1.3897004291543067
Energy: 1.3332284364218034
Energy: 1.3897004291543067
Energy: 1.360158026790422
Energy: 1.3897004291554278
Energy: 1.4661560876963218
Energy: 1.5568863725394784
Energy: 1.5489278515709284
Energy: 1.5568863725405995
Energy: 1.4661560876963218
Energy: 1.5568863725405995
Energy: 1.330789596632136
Energy: 1.5564474247162885
Energy: 1.3796740219634476
Energy: 1.5564474247174096
Energy: 1.330789596632136
Energy: 1.5564474247162885
Energy: 1.4398175810308593
Energy: 1.4363548848189658
Energy: 1.3706425569555554
Energy: 1.436354884854814
Energy: 1.4398175810308593
Energy: 1.4363548848178447
Energy: 1.3573986193716392
Energy: 1.5004410908875172
Energy: 1.3602630082879124
Energy: 1.5004410908852752
Energy: 1.357398619378366
Energy: 1.5004410908908803
Energy: 1.4479142530057119
Energy: 1.516127672403373
Energy: 1.3576404295426967
Energy: 1.516127672403373
Energy: 1.4479142530057119
Energy: 1.516127672403373
Energy: 1.4879243351221767
Energy: 1.5582463906978006
Energy: 1.392499109866021
Energy: 1.5582463906989215
Energy: 1.4879243357620164
Energy: 1.5582463906978006
Energy: 1.433488866618415
Energy: 1.6178478375397412
Energy: 1.3690972467918647
Energy: 1.6178478375397412
Energy: 1.433488866618415
Energy: 1.6178478375431042
Energy: 1.3680220130990843
Energy: 1.3942262428238152
Energy: 1.3946917859989563
Energy: 1.3942262428126049
Energy: 1.3680220130901413
Energy: 1.3942262428159677
Energy: 1.4229301828412646
Energy: 1.5839977001561172
Energy: 1.3910371917025564
Energy: 1.5839977001572383
Energy: 1.4229301828435066
Energy: 1.5839977001561172
Energy: 1.424351344035884
Energy: 1.6101472455201138
Energy: 1.365534603248259
Energy: 1.6101472455212351
Energy: 1.424351344035884
Energy: 1.6101472455212351
Energy: 1.3785564952373726
Energy: 1.561571323114448
Energy: 1.3810218394308702
Energy: 1.561571323114448
Energy: 1.3785564952373726
Energy: 1.561571323114448
Energy: 1.443198513700718
Energy: 1.4343673031493094
Energy: 1.3564253772985624
Energy: 1.4343673031493094
Energy: 1.443198513700718
Energy: 1.4343673031493094
Energy: 1.3144071964954078
Energy: 1.5564474247151674
Energy: 1.3446411915476693
Energy: 1.5564474247151674
Energy: 1.3144071964954078
Energy: 1.5564474247151674
Energy: 1.4651854886926448
Energy: 1.542735401820565
Energy: 1.3206870386778347
Energy: 1.5427354018216861
Energy: 1.4651854886926448
Energy: 1.5427354018216861
Energy: 1.3461135596270657
Energy: 1.3755560340815192
Energy: 1.3518638445568183
Energy: 1.3755560340870991
Energy: 1.3461135596259448
Energy: 1.3755560341375463
Energy: 1.4098146016557944
Energy: 1.3415145339080132
Energy: 1.330262717666085
Energy: 1.3415145250164249
Energy: 1.4098146016546735
Energy: 1.3415145287209622
Energy: 1.5550975620546077
Energy: 1.4263633472085953
Energy: 1.5751786082148966
Energy: 1.4263633469923342
Energy: 1.5548301441289507
Energy: 1.4263633467973738
Energy: 1.4989549321278868
Energy: 1.3621301660151865
Energy: 1.3327599148091978
Energy: 1.3621301657328093
Energy: 1.4989549321278868
Energy: 1.362130167544733
Energy: 1.360158026790422
Energy: 1.3897004291587909
Energy: 1.3332284364206823
Energy: 1.38970042915767
Energy: 1.360158026789301
Energy: 1.389700429159912
Energy: 1.4661560876963218
Energy: 1.5568863725405995
Energy: 1.5489278515709284
Energy: 1.5568863725405995
Energy: 1.4661560876963218
Energy: 1.5568863725405995
Energy: 1.3307895966310148
Energy: 1.5564474247185305
Energy: 1.3796740219634476
Energy: 1.5564474247185305
Energy: 1.330789596632136
Energy: 1.5564474247185305
Energy: 1.4398175810297382
Energy: 1.4363548847943024
Energy: 1.3706425569555554
Energy: 1.4363548847573333
Energy: 1.4398175810286173
Energy: 1.4363548847382757

minimum gb energy = 1.3144071964954078 eV
minimum distance =  2.27062774117205 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.7948852920880871
Energy: 1.392055973687173
Energy: 1.3187448108429325
Energy: 1.3920559736823344
Energy: 1.7948852920880871
Energy: 1.3920559736823344
Energy: 1.2920875487921584
Energy: 1.4645020620782225
Energy: 1.2529474195081372
Energy: 1.4645020620849964
Energy: 1.2920875487940717
Energy: 1.4645020620772549
Energy: 1.2668288040023674
Energy: 1.4922588447931042
Energy: 1.2598676560831874
Energy: 1.4922588447931042
Energy: 1.2668288040023674
Energy: 1.4922588447940721
Energy: 1.4734253579311791
Energy: 1.4908849066688348
Energy: 1.3002320601404203
Energy: 1.4908849066688348
Energy: 1.4734253579311791
Energy: 1.4908849066688348
Energy: 1.2905173543407518
Energy: 1.4693559788509962
Energy: 1.3052611847132074
Energy: 1.4693559788509962
Energy: 1.2905173543407518
Energy: 1.4693559788509962
Energy: 1.324933755275033
Energy: 1.45597585160923
Energy: 1.296902410142926
Energy: 1.4559758516082624
Energy: 1.3249337654592106
Energy: 1.45597585160923
Energy: 1.2893711351718413
Energy: 1.530107664099183
Energy: 1.3042913407934167
Energy: 1.530107664099183
Energy: 1.2893711351689383
Energy: 1.5301076641001508
Energy: 1.2993622092075083
Energy: 1.4455623649225628
Energy: 1.305401427908898
Energy: 1.4455623649235305
Energy: 1.2993622092075083
Energy: 1.4455623649215954
Energy: 1.2899265230655645
Energy: 1.4941344020441825
Energy: 1.3514676854968992
Energy: 1.49413440204515
Energy: 1.2899265230655645
Energy: 1.49413440204515
Energy: 1.2979140241839773
Energy: 1.3946295723792437
Energy: 1.2528995661027573
Energy: 1.3946295723792437
Energy: 1.2979140241830096
Energy: 1.3946295723811792
Energy: 1.4847411281194403
Energy: 1.5267575270142728
Energy: 1.2992781461105067
Energy: 1.5267575270133051
Energy: 1.4847411281175047
Energy: 1.5267575270142728
Energy: 1.296424723246638
Energy: 1.5512698376900294
Energy: 1.251615870088171
Energy: 1.5512698376890617
Energy: 1.29642472399239
Energy: 1.5512698376890617
Energy: 1.2994633081035887
Energy: 1.5055694032170257
Energy: 1.2538396669521914
Energy: 1.5055695170469747
Energy: 1.299463308102621
Energy: 1.505569402359089
Energy: 1.3075231440904296
Energy: 1.524477641483998
Energy: 1.364635566889573
Energy: 1.524477641483998
Energy: 1.3075231440904296
Energy: 1.524477641483998
Energy: 1.294996294823655
Energy: 1.5046117252090123
Energy: 1.2542024092737116
Energy: 1.5046117252090123
Energy: 1.294996294823655
Energy: 1.5046117252080444
Energy: 1.2874364304229804
Energy: 1.4851486599106702
Energy: 1.2559301505772984
Energy: 1.4851486599097026
Energy: 1.2874364304229804
Energy: 1.4851486599097026
Energy: 1.3039678453294292
Energy: 1.4513519951349543
Energy: 1.2554283315762396
Energy: 1.4513519951359222
Energy: 1.303967845330397
Energy: 1.4513519951359222
Energy: 1.3011457323992568
Energy: 1.562599498037269
Energy: 1.2541932042713015
Energy: 1.562599498037269
Energy: 1.3011457323992568
Energy: 1.562599498037269
Energy: 1.3034416416942687
Energy: 1.4512497511563396
Energy: 1.3473468241479778
Energy: 1.451249751157307
Energy: 1.3034416416942687
Energy: 1.451249751157307
Energy: 1.2874372932223628
Energy: 1.48686564086958
Energy: 1.2556536702207581
Energy: 1.4868656408686123
Energy: 1.2874372932223628
Energy: 1.4868656408686123
Energy: 1.292613333171435
Energy: 1.5014035132833365
Energy: 1.2543288371799066
Energy: 1.5014035132843042
Energy: 1.292613333171435
Energy: 1.5014035132843042
Energy: 1.3109360155365537
Energy: 1.5244790571881457
Energy: 1.4882143676323714
Energy: 1.5244790571881457
Energy: 1.3109360155365537
Energy: 1.5244790571881457
Energy: 1.3169419042530661
Energy: 1.417428620123443
Energy: 1.2540443693411931
Energy: 1.4174286201418287
Energy: 1.3169419042520984
Energy: 1.4174286201244104
Energy: 1.3018170873814083
Energy: 1.5520298229815546
Energy: 1.2514351255009106
Energy: 1.5520298230057468
Energy: 1.3018170873814083
Energy: 1.5520298229815546
Energy: 1.4688781815698118
Energy: 1.5250965333614848
Energy: 1.3022458592056212
Energy: 1.5250965333614848
Energy: 1.4688781815698118
Energy: 1.5250965333614848
Energy: 1.2995415302094797
Energy: 1.3699365966851622
Energy: 1.252795673481796
Energy: 1.3699365966145656
Energy: 1.2995415302104254
Energy: 1.369936596743201
Energy: 1.2941752087614988
Energy: 1.493991501662382
Energy: 1.3547406687216317
Energy: 1.4939915016633494
Energy: 1.2941752087614988
Energy: 1.4939915016633494
Energy: 1.2966047824377303
Energy: 1.4456679700021557
Energy: 1.3068465947663748
Energy: 1.4456679700021557
Energy: 1.2966047824377303
Energy: 1.4456679700021557
Energy: 1.3095485358234287
Energy: 1.530107664099183
Energy: 1.2964476760944903
Energy: 1.5301076641001508
Energy: 1.3095485358243961
Energy: 1.530107664099183

minimum gb energy = 1.2514351255009106 eV
minimum distance =  2.25706055285854 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.4065674378551576
Energy: 1.5472088988183272
Energy: 1.3527758047372536
Energy: 1.5472088988183272
Energy: 1.4065674130929895
Energy: 1.5472088988183272
Energy: 1.2562227797761218
Energy: 1.4490705581830738
Energy: 1.2449325992178797
Energy: 1.4490705581796715
Energy: 1.2562227797761218
Energy: 1.4490705581898788
Energy: 1.2305682924428611
Energy: 1.4872307998738052
Energy: 1.2411746802726398
Energy: 1.4872307998729548
Energy: 1.2305682924428611
Energy: 1.4872307998729548
Energy: 1.2364922536562508
Energy: 1.4427958541571368
Energy: 1.2507615147466165
Energy: 1.4427958541571368
Energy: 1.2364922536545497
Energy: 1.4427958541571368
Energy: 1.2145092548566536
Energy: 1.469972893081677
Energy: 1.2252710697300488
Energy: 1.469972893081677
Energy: 1.2145092548575045
Energy: 1.469972893081677
Energy: 1.2891363095507555
Energy: 1.430248164979616
Energy: 1.2949539331902533
Energy: 1.430248164979616
Energy: 1.2891363095507555
Energy: 1.430248164979616
Energy: 1.2244509063781426
Energy: 1.5103786731446234
Energy: 1.2209063973661674
Energy: 1.5103786731446234
Energy: 1.2244509063789932
Energy: 1.5103786731437727
Energy: 1.2256078885514228
Energy: 1.4275352327039166
Energy: 1.2304859845848828
Energy: 1.4275352327047672
Energy: 1.2256078885505723
Energy: 1.4275352327030661
Energy: 1.2170723336260674
Energy: 1.423808017847351
Energy: 1.2344588120533047
Energy: 1.423808017847351
Energy: 1.2170723336260674
Energy: 1.423808017847351
Energy: 1.217042163383198
Energy: 1.4537049744644093
Energy: 1.2251677121186015
Energy: 1.4537049744456954
Energy: 1.2170421633823474
Energy: 1.4537049744363382
Energy: 1.2529690869079753
Energy: 1.4377573845384137
Energy: 1.3007673473507053
Energy: 1.4377573845384137
Energy: 1.2529690869079753
Energy: 1.4377573845384137
Energy: 1.246127398894066
Energy: 1.5279978012153055
Energy: 1.2194556834871884
Energy: 1.5279978012085005
Energy: 1.2461273988949164
Energy: 1.5279978012076498
Energy: 1.2408613784341869
Energy: 1.4333926036598763
Energy: 1.4378817210784998
Energy: 1.433392603660727
Energy: 1.2408613784341869
Energy: 1.433392603660727
Energy: 1.2627157676361038
Energy: 1.3391196062798874
Energy: 1.2653279265226247
Energy: 1.3391196092192308
Energy: 1.2627157676361038
Energy: 1.339119608798358
Energy: 1.2288873555701738
Energy: 1.3369839133031358
Energy: 1.249785245437183
Energy: 1.3369838979125699
Energy: 1.2288873555701738
Energy: 1.3369839129740932
Energy: 1.2624152234504693
Energy: 1.5197949853839399
Energy: 1.2299261732377464
Energy: 1.5197949853847905
Energy: 1.262415223522735
Energy: 1.5197949853839399
Energy: 1.2200762883118923
Energy: 1.473403488865517
Energy: 1.220840175561547
Energy: 1.473403488865517
Energy: 1.2200762883118923
Energy: 1.473403488865517
Energy: 1.231910819810368
Energy: 1.36582095151891
Energy: 1.2171863909854461
Energy: 1.3658209518301279
Energy: 1.231910819809556
Energy: 1.365820951611591
Energy: 1.2311394803951117
Energy: 1.4179093441896489
Energy: 1.281650131953172
Energy: 1.4179093441896489
Energy: 1.2311394803934101
Energy: 1.4179093441896489
Energy: 1.222112831986305
Energy: 1.535545204340685
Energy: 1.2171013324244302
Energy: 1.535545204340685
Energy: 1.222112831986305
Energy: 1.535545204340685
Energy: 1.2283713236011158
Energy: 1.3689434010098283
Energy: 1.2290225534324761
Energy: 1.3689434010115296
Energy: 1.2283713236019664
Energy: 1.3689434010132309
Energy: 1.4488390587401698
Energy: 1.4236515513573873
Energy: 1.217089156370143
Energy: 1.4236515513573873
Energy: 1.4488390587393194
Energy: 1.4236515513573873
Energy: 1.2274777372724825
Energy: 1.440382092885842
Energy: 1.2143818730396911
Energy: 1.440382092885842
Energy: 1.2274777372724825
Energy: 1.4403820928866926
Energy: 1.2365163082321176
Energy: 1.4673492520308524
Energy: 1.3709117313002654
Energy: 1.4673492520300018
Energy: 1.236516308232968
Energy: 1.4673492520308524
Energy: 1.2169517174376818
Energy: 1.4211482623257952
Energy: 1.2218709313495242
Energy: 1.4211482623326004
Energy: 1.2169517174376818
Energy: 1.4211482623240943
Energy: 1.258602025252126
Energy: 1.4915162861614772
Energy: 1.2408908006148855
Energy: 1.4915162859191613
Energy: 1.2586020252563792
Energy: 1.4915162860058877
Energy: 1.261486067889204
Energy: 1.2238938985566925
Energy: 1.2226589101784058
Energy: 1.2238939076434079
Energy: 1.261486067889204
Energy: 1.2238938431783388
Energy: 1.2560225540159784
Energy: 1.2224014779664276
Energy: 1.2228031394420673
Energy: 1.2224014779774859
Energy: 1.256022554015128
Energy: 1.2224014779732326
Energy: 1.3339857904507924
Energy: 1.4334586175127748
Energy: 1.6516681910550752
Energy: 1.4334586173155042
Energy: 1.333985790451643
Energy: 1.4334586183766371
Energy: 1.2168012222370241
Energy: 1.3842023393704619
Energy: 1.2244490245381696
Energy: 1.3842023393704619
Energy: 1.2168012222370241
Energy: 1.3842023393730136
Energy: 1.2177631626718648
Energy: 1.4842017364217635
Energy: 1.2305184224312629
Energy: 1.4842017364217635
Energy: 1.2177631626718648
Energy: 1.4842017364217635
Energy: 1.240020738307435
Energy: 1.414796084630557
Energy: 1.3083785437649766
Energy: 1.414796084630557
Energy: 1.240020738307435
Energy: 1.414796084630557
Energy: 1.2144983718052986
Energy: 1.5047174913726196
Energy: 1.224403488575304
Energy: 1.5047174913717685
Energy: 1.2144983718052986
Energy: 1.5047174913717685

minimum gb energy = 1.2143818730396911 eV
minimum distance =  2.26318186482939 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014951354440554133
Energy: 0.015394783512108344
Energy: 1.536511806494634
Energy: 0.015394783511401576
Energy: 0.014951354439847367
Energy: 0.015394783511401576
Energy: 0.015238580816605356
Energy: 0.6921850907859836
Energy: 0.015238580816605356
Energy: 0.6921850907859836
Energy: 0.015238580815898586
Energy: 0.6921850907859836
Energy: 1.536511806494634
Energy: 0.015394783511401576
Energy: 0.014951354440554133
Energy: 0.015394783511401576
Energy: 1.536511806494634
Energy: 0.015394783511401576
Energy: 0.015238580816605356
Energy: 0.6921850907859836
Energy: 0.015238580816605356
Energy: 0.6921850907859836
Energy: 0.015238580815898586
Energy: 0.6921850907859836

minimum gb energy = 0.014951354439847367 eV
minimum distance =  2.4589752212299 Angstroms
sigma value = 1