Model name: model_name=EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_000
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=2.855324625968933
cohesive_energy=4.122759316666129
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: 0.012772757401007534
Energy: 0.013396163522042974
Energy: 0.42638143416358104
Energy: 0.013396163521568218
Energy: 0.012772757401007534
Energy: 0.013396163521568218
Energy: 0.013396163522042974
Energy: 2.7927991405451498
Energy: 0.013396163522545655
Energy: 2.792799140547132
Energy: 0.013396163521568218
Energy: 2.7927991405456525
Energy: 0.42638143416310625
Energy: 0.013396163522042974
Energy: 0.01277275740148229
Energy: 0.013396163522545655
Energy: 0.42638143416358104
Energy: 0.013396163521065537
Energy: 0.013396163522042974
Energy: 2.792799140547132
Energy: 0.013396163522042974
Energy: 2.6450204842423473
Energy: 0.013396163522042974
Energy: 2.792799140548585
Energy: 0.012772757401007534
Energy: 0.013396163523523092
Energy: 0.42638143416358104
Energy: 0.013396163521568218
Energy: 0.01277275740148229
Energy: 0.013396163522545655
Energy: 0.013396163520590781
Energy: 2.792799140544675
Energy: 0.013396163522042974
Energy: 2.792799140548585
Energy: 0.013396163522042974
Energy: 2.157314229557263

minimum gb energy = 0.012772757401007534 eV
minimum distance =  2.45239136283785 Angstroms
sigma value = 1


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

Energy: 1.2684652397863614
Energy: 1.3338061040842826
Energy: 1.2149790249506165
Energy: 1.3338061040830724
Energy: 1.2684652397875713
Energy: 1.3338061040830724
Energy: 1.228588539243839
Energy: 1.302159967944901
Energy: 1.261349663004511
Energy: 1.302159967944901
Energy: 1.228588539242629
Energy: 1.302159967944901
Energy: 1.1185266906228353
Energy: 1.2997061866524542
Energy: 1.2609350720942971
Energy: 1.2997061866524542
Energy: 1.1185266906228353
Energy: 1.2997061866524542
Energy: 1.2912149378229982
Energy: 1.2774928628452835
Energy: 1.1198291731147154
Energy: 1.2774928628464937
Energy: 1.2912149378217883
Energy: 1.2774928628477036
Energy: 1.2894698226080041
Energy: 1.3218389261771781
Energy: 1.2881090989252817
Energy: 1.3218389261771781
Energy: 1.2894698226104244
Energy: 1.3218389261759678
Energy: 1.2619852476353093
Energy: 1.3036957725535478
Energy: 1.124428893060286
Energy: 1.303695772551128
Energy: 1.2619852476353093
Energy: 1.303695772551128
Energy: 1.261839827954965
Energy: 1.2986783625714646
Energy: 1.1244952805179267
Energy: 1.2986783625702545
Energy: 1.261839827954965
Energy: 1.2986783625702545
Energy: 1.3113971230851729
Energy: 1.3233083444651048
Energy: 1.120914143159107
Energy: 1.3233083444663147
Energy: 1.311397123083963
Energy: 1.3233083444663147
Energy: 1.3267289345404125
Energy: 1.270902089508435
Energy: 1.1196923426975403
Energy: 1.270902089502385
Energy: 1.3267289345404125
Energy: 1.270902089503595
Energy: 1.2632929097835586
Energy: 1.2973866397718647
Energy: 1.125331141719172
Energy: 1.2973866397730751
Energy: 1.2632929097835586
Energy: 1.2973866397730751
Energy: 1.1187692214721547
Energy: 1.2770170067223199
Energy: 1.226166743754109
Energy: 1.2770170067767155
Energy: 1.1187692214709444
Energy: 1.2770170067682456
Energy: 1.1220773312884629
Energy: 1.3214222108508122
Energy: 1.1220850924467844
Energy: 1.3214222108508122
Energy: 1.1220773312884629
Energy: 1.3214222108508122
Energy: 1.2263445501698553
Energy: 1.2770170067090096
Energy: 1.2308334302382296
Energy: 1.2770170067718756
Energy: 1.2263445501698553
Energy: 1.2770170067730857
Energy: 1.1255702740471452
Energy: 1.2976056788146884
Energy: 1.2632969461986558
Energy: 1.2976056788158987
Energy: 1.1255702740471452
Energy: 1.2976056788158987
Energy: 1.1195466099531997
Energy: 1.2712784389203962
Energy: 1.3264104897920366
Energy: 1.271278438921606
Energy: 1.1195466099519895
Energy: 1.271278438921606
Energy: 1.1208699282687196
Energy: 1.3233126333577472
Energy: 1.3114092122555236
Energy: 1.3233126333577472
Energy: 1.1208699282698749
Energy: 1.3233126333577472
Energy: 1.1243439313857047
Energy: 1.2984634135055493
Energy: 1.262446830037096
Energy: 1.2984634135055493
Energy: 1.1243439313869146
Energy: 1.2984634135055493
Energy: 1.124788659781143
Energy: 1.3039319289739868
Energy: 1.2641700906206335
Energy: 1.3039319289739868
Energy: 1.124788659781143
Energy: 1.303931928975197
Energy: 1.2879723308168507
Energy: 1.321939029368739
Energy: 1.2890527698781098
Energy: 1.321939029367529
Energy: 1.287972330818061
Energy: 1.321939029368739
Energy: 1.119755079490144
Energy: 1.266974805811097
Energy: 1.2889655746536968
Energy: 1.266974805811097
Energy: 1.1197550794889342
Energy: 1.266974805809887
Energy: 1.2608137479318986
Energy: 1.299734521031784
Energy: 1.1185108967309596
Energy: 1.299734521031784
Energy: 1.2608137479318986
Energy: 1.299734521031784
Energy: 1.2630446801276933
Energy: 1.3015835153098674
Energy: 1.2281621961737677
Energy: 1.3015835153098674
Energy: 1.2630446801289033
Energy: 1.3015835153074473
Energy: 1.2149790249530366
Energy: 1.3338061040842826
Energy: 1.2684652397863614
Energy: 1.3338061040830724
Energy: 1.2149790249518266
Energy: 1.3338061040830724

minimum gb energy = 1.1185108967309596 eV
minimum distance =  2.2347199513599 Angstroms
sigma value = 33


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

Energy: 1.6676740796211513
Energy: 1.3908579492601318
Energy: 1.2732582751340717
Energy: 1.3908579492601318
Energy: 1.6676740796211513
Energy: 1.3908579492594435
Energy: 1.2359120385073343
Energy: 1.3564241114740032
Energy: 1.3890129852395325
Energy: 1.3564241114740032
Energy: 1.235912038503893
Energy: 1.3564241114740032
Energy: 1.163410928502744
Energy: 1.3874014690363834
Energy: 1.3612496438781585
Energy: 1.3874014690363834
Energy: 1.163410928502744
Energy: 1.3874014690363834
Energy: 1.263523137198744
Energy: 1.334353128170388
Energy: 1.3750464041443389
Energy: 1.334353128171076
Energy: 1.2635231371994324
Energy: 1.334353128171076
Energy: 1.263182046689849
Energy: 1.3879134511491817
Energy: 1.338685498808656
Energy: 1.3879134511498699
Energy: 1.2631820466905375
Energy: 1.3879134511498699
Energy: 1.2808687180259817
Energy: 1.3661120982092365
Energy: 1.1700041830333316
Energy: 1.3661120982078598
Energy: 1.2808687180266698
Energy: 1.3661120982078598
Energy: 1.2809712686889196
Energy: 1.3660744706046404
Energy: 1.3514850704898766
Energy: 1.3660744706046404
Energy: 1.2809712686896078
Energy: 1.3660744706046404
Energy: 1.1958063867116147
Energy: 1.3679567815723752
Energy: 1.2811478058938115
Energy: 1.3679567815723752
Energy: 1.1958063867116147
Energy: 1.3679567815723752
Energy: 1.3037716699968056
Energy: 1.3335600754093382
Energy: 1.371875004478799
Energy: 1.3335600754086498
Energy: 1.3037716699954294
Energy: 1.3335600754086498
Energy: 1.232873748059137
Energy: 1.3872132598245812
Energy: 1.2378046832615213
Energy: 1.3872132598252693
Energy: 1.2328737480598253
Energy: 1.3872132598252693
Energy: 1.2351804857488742
Energy: 1.35822642568808
Energy: 1.284796579720274
Energy: 1.3582264256887684
Energy: 1.2351804857488742
Energy: 1.3582264256887684
Energy: 1.3599434213892785
Energy: 1.3690237236557123
Energy: 1.2351915067286519
Energy: 1.3690237236543354
Energy: 1.3599434213892785
Energy: 1.3690237236543354
Energy: 1.4270921440677224
Energy: 1.3380637604689376
Energy: 1.2349781118923675
Energy: 1.3380637604669043
Energy: 1.4270921440670339
Energy: 1.3380637604669043
Energy: 1.3065658567090468
Energy: 1.3871118853398499
Energy: 1.292546649106987
Energy: 1.3871118853398499
Energy: 1.3065658567083587
Energy: 1.3871118853398499
Energy: 1.3609796786498791
Energy: 1.3748215934916486
Energy: 1.3421903900090415
Energy: 1.3748215934916486
Energy: 1.3609796786498791
Energy: 1.3748215934923371
Energy: 1.3614159817872067
Energy: 1.3878155377519985
Energy: 1.2320610265012084
Energy: 1.3878155377513102
Energy: 1.3614159817885831
Energy: 1.3878155377513102
Energy: 1.3784386872126397
Energy: 1.3665164439559159
Energy: 1.2407225964318138
Energy: 1.3665164439552273
Energy: 1.3784386872133283
Energy: 1.3665164439559159
Energy: 1.375697548652379
Energy: 1.3581077781029873
Energy: 1.4384166247274428
Energy: 1.3581077781022988
Energy: 1.3756975486530671
Energy: 1.3581077781022988
Energy: 1.1701412999355096
Energy: 1.3687488518509443
Energy: 1.2811566242370083
Energy: 1.3687488518516324
Energy: 1.1701412999355096
Energy: 1.3687488518516324
Energy: 1.3157245721021305
Energy: 1.3286994705784287
Energy: 1.3725432906276582
Energy: 1.3286994705804935
Energy: 1.3157245721014423
Energy: 1.3286994705777406
Energy: 1.3595397791015327
Energy: 1.3880694798748823
Energy: 1.2164516540868797
Energy: 1.3880694798748823
Energy: 1.3595397791022208
Energy: 1.3880694798741942
Energy: 1.2357231894590488
Energy: 1.3586924917882686
Energy: 1.4274286053378322
Energy: 1.358692491786204
Energy: 1.2357231894590488
Energy: 1.358692491786204
Energy: 1.23757787602925
Energy: 1.368988988891347
Energy: 1.3393108104866371
Energy: 1.368988988891347
Energy: 1.23757787602925
Energy: 1.368988988891347
Energy: 1.4574109793847134
Energy: 1.3571999040705
Energy: 1.282988073522281
Energy: 1.3571999040711886
Energy: 1.4574109793867782
Energy: 1.3571999040711886
Energy: 1.2793925912762472
Energy: 1.3663283742289047
Energy: 1.36124866412751
Energy: 1.3663283742289047
Energy: 1.2793925912748705
Energy: 1.3663283742289047
Energy: 1.2916740816456396
Energy: 1.3879090814204076
Energy: 1.1890385564386716
Energy: 1.3879090814204076
Energy: 1.2916740816449512
Energy: 1.3879090814204076
Energy: 1.2917427769205458
Energy: 1.3881161146326182
Energy: 1.246245593515446
Energy: 1.3881161146326182
Energy: 1.291742776921234
Energy: 1.3881161146326182
Energy: 1.2794489826680002
Energy: 1.3663131022372046
Energy: 1.3606953299704154
Energy: 1.3663131022351398
Energy: 1.2794489826666235
Energy: 1.366313102235828
Energy: 1.4568994545322755
Energy: 1.3574668392392049
Energy: 1.2838428360679333
Energy: 1.3574668392392049
Energy: 1.4568994545322755
Energy: 1.3574668392392049
Energy: 1.2380446834643415
Energy: 1.369024881869546
Energy: 1.3750357944314777
Energy: 1.3690248818688575
Energy: 1.2380446834643415
Energy: 1.3690248818688575
Energy: 1.2357350286722353
Energy: 1.3586924917848273
Energy: 1.4275739169568646
Energy: 1.3586924917841392
Energy: 1.2357350286722353
Energy: 1.3586924917841392
Energy: 1.3594682372639317
Energy: 1.3886473709988942
Energy: 1.2164878672021069
Energy: 1.3886473709988942
Energy: 1.3594682372639317
Energy: 1.3886473709995824
Energy: 1.316148757841642
Energy: 1.3324616178975393
Energy: 1.3715860952583028
Energy: 1.3324616178968507
Energy: 1.3161487578402655
Energy: 1.3324616178968507
Energy: 1.1701447202793884
Energy: 1.368729337623235
Energy: 1.323808248516169
Energy: 1.368729337623923
Energy: 1.1701447202786999
Energy: 1.368729337623923
Energy: 1.374899746072592
Energy: 1.357863531182849
Energy: 1.338680552165301
Energy: 1.3578635311835374
Energy: 1.3748997460719037
Energy: 1.357863531182849
Energy: 1.3736980159121834
Energy: 1.3664836713792552
Energy: 1.2400718033754992
Energy: 1.3664836713799433
Energy: 1.37369801591356
Energy: 1.3664836713799433
Energy: 1.3643438650203312
Energy: 1.3880280128979687
Energy: 1.2550638157156604
Energy: 1.3880280128972804
Energy: 1.3643438650203312
Energy: 1.3880280128972804
Energy: 1.3629446586283611
Energy: 1.3718984877155616
Energy: 1.3388191927891664
Energy: 1.37189848771625
Energy: 1.3629446586283611
Energy: 1.3718984877169382
Energy: 1.3049217622389155
Energy: 1.3871496629610094
Energy: 1.2923398786466473
Energy: 1.3871496629603524
Energy: 1.3049217622389155
Energy: 1.3871496629603524
Energy: 1.4284333232803337
Energy: 1.3412359432330094
Energy: 1.2360078774809584
Energy: 1.3412359432330094
Energy: 1.4284333232803337
Energy: 1.3412359432330094
Energy: 1.3599357897897537
Energy: 1.3689838632200948
Energy: 1.2561370136343954
Energy: 1.3689838632194067
Energy: 1.3599357897890656
Energy: 1.3689838632194067

minimum gb energy = 1.163410928502744 eV
minimum distance =  2.22798630516409 Angstroms
sigma value = 51


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

Energy: 1.4365261776639242
Energy: 1.4072420263754046
Energy: 1.364475268208223
Energy: 1.4072420263722152
Energy: 1.4365261776639242
Energy: 1.4072420263722152
Energy: 1.290178660009404
Energy: 1.4445521857448729
Energy: 1.638426175495266
Energy: 1.4445521252507705
Energy: 1.2901786600109988
Energy: 1.4445521793993101
Energy: 1.1699080534273243
Energy: 1.4075863923461593
Energy: 1.5018776773008327
Energy: 1.407586392347754
Energy: 1.1699080534273243
Energy: 1.407586392347754
Energy: 1.1817212608527674
Energy: 1.3482449946988027
Energy: 1.5056660214102855
Energy: 1.3482449946972077
Energy: 1.1817212608527674
Energy: 1.3482449946972077
Energy: 1.180699066014974
Energy: 1.3521228301027994
Energy: 1.4220563648998341
Energy: 1.3521228301012047
Energy: 1.180699066014974
Energy: 1.3521228301012047
Energy: 1.4374596756069484
Energy: 1.3514364849949434
Energy: 1.5491106915057913
Energy: 1.3514364849965383
Energy: 1.4374596756069484
Energy: 1.3514364849965383
Energy: 1.4381440430309484
Energy: 1.3512721983402614
Energy: 1.3059027847675635
Energy: 1.3512721983386666
Energy: 1.4381440430309484
Energy: 1.3512721983386666
Energy: 1.181996874471287
Energy: 1.3484486119581174
Energy: 1.1618851119339721
Energy: 1.3484486119581174
Energy: 1.1819968744696925
Energy: 1.3484486119565227
Energy: 1.4379561470282112
Energy: 1.374519204931357
Energy: 1.192485205517952
Energy: 1.3745192049265726
Energy: 1.4379561470266167
Energy: 1.3745192049281674
Energy: 1.17248257656049
Energy: 1.4361010190048724
Energy: 1.1618122918316498
Energy: 1.436101019006467
Energy: 1.17248257656049
Energy: 1.436101019006467
Energy: 1.5094378961991928
Energy: 1.3496980584603635
Energy: 1.5189653337001565
Energy: 1.3496980584571738
Energy: 1.5094378961928139
Energy: 1.3496980584571738
Energy: 1.4387298863206044
Energy: 1.4075464727383784
Energy: 1.549042997963334
Energy: 1.4075464727383784
Energy: 1.4387298863206044
Energy: 1.4075464727383784
Energy: 1.3139112424584873
Energy: 1.3633621230098683
Energy: 1.5063984506800205
Energy: 1.36336212300831
Energy: 1.3139112424584873
Energy: 1.3633621230098683
Energy: 1.1726404923894438
Energy: 1.4074895932284335
Energy: 1.5155591916446425
Energy: 1.4074895932284335
Energy: 1.1726404923894438
Energy: 1.4074895932284335
Energy: 1.1698813040959486
Energy: 1.4078850694948277
Energy: 1.509624784017192
Energy: 1.4078850694948277
Energy: 1.1698813040959486
Energy: 1.4078850694948277
Energy: 1.180712266782379
Energy: 1.3501311608832507
Energy: 1.5035364576568628
Energy: 1.3501311608832507
Energy: 1.180712266782379
Energy: 1.350131160881656
Energy: 1.4371709628282732
Energy: 1.4080353471881633
Energy: 1.5450878295270722
Energy: 1.4080353471881633
Energy: 1.4371709628282732
Energy: 1.4080353471881633
Energy: 1.4371891326511597
Energy: 1.3517174419891473
Energy: 1.5059549111205817
Energy: 1.3517174419891473
Energy: 1.437189132644781
Energy: 1.3517174419923368

minimum gb energy = 1.1618122918316498 eV
minimum distance =  2.20475963162281 Angstroms
sigma value = 19


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

Energy: 1.5463370427306737
Energy: 1.5133224188158148
Energy: 1.418553697089466
Energy: 1.5133224188148686
Energy: 1.5463370427316194
Energy: 1.5133224188148686
Energy: 1.2807151105748882
Energy: 1.4827882258777518
Energy: 1.4216231377709012
Energy: 1.4827882258777518
Energy: 1.2807151105748882
Energy: 1.482788225878698
Energy: 1.2120972814476403
Energy: 1.461850936444325
Energy: 1.3741380947817377
Energy: 1.461850936444325
Energy: 1.2120972814476403
Energy: 1.461850936444325
Energy: 1.268726375887853
Energy: 1.4492796592766186
Energy: 1.3766529425396858
Energy: 1.4492796592766186
Energy: 1.268726375887853
Energy: 1.4492796592766186
Energy: 1.2978957130635103
Energy: 1.5272891245868085
Energy: 1.518432180091812
Energy: 1.5272891245877547
Energy: 1.2978957130644562
Energy: 1.5272891245877547
Energy: 1.5697482914416636
Energy: 1.5273472318000303
Energy: 1.2977375173961812
Energy: 1.5273472318000303
Energy: 1.5697482914426097
Energy: 1.5273472318000303
Energy: 1.37433794885694
Energy: 1.4491532779834784
Energy: 1.232820170734839
Energy: 1.4491532779834784
Energy: 1.37433794885694
Energy: 1.4491532779834784
Energy: 1.3742613287442098
Energy: 1.4619022297748612
Energy: 1.2120623566680768
Energy: 1.4619022297748612
Energy: 1.3742613287432643
Energy: 1.4619022297748612
Energy: 1.421528697395859
Energy: 1.4828387941123156
Energy: 1.2802414329766738
Energy: 1.4828387941123156
Energy: 1.4215286973968049
Energy: 1.4828387941123156
Energy: 1.418553697089466
Energy: 1.5133224188148686
Energy: 1.5463370427306737
Energy: 1.5133224188148686
Energy: 1.41855369708852
Energy: 1.5133224188148686
Energy: 1.4216231377718471
Energy: 1.482788225878698
Energy: 1.280715110573942
Energy: 1.482788225878698
Energy: 1.4216231377718471
Energy: 1.482788225878698
Energy: 1.3741380947817377
Energy: 1.461850936444325
Energy: 1.2120972814466944
Energy: 1.461850936444325
Energy: 1.3741380947807917
Energy: 1.461850936444325
Energy: 1.3766529425472316
Energy: 1.4492796592766186
Energy: 1.3040927384065841
Energy: 1.4492796592766186
Energy: 1.3766529425510152
Energy: 1.4492796592766186
Energy: 1.458632370560507
Energy: 1.5272891245868085
Energy: 1.2978957130635103
Energy: 1.5272891245877547
Energy: 1.458632370561453
Energy: 1.5272891245877547
Energy: 1.297737517397127
Energy: 1.5273472318000303
Energy: 1.5697482914426097
Energy: 1.5273472318000303
Energy: 1.297737517397127
Energy: 1.5273472317990844
Energy: 1.232820170734839
Energy: 1.4491532779834784
Energy: 1.3743379488588316
Energy: 1.4491532779844243
Energy: 1.2328201707338928
Energy: 1.4491532779834784
Energy: 1.2120623566680768
Energy: 1.4619022297758069
Energy: 1.3742613287432643
Energy: 1.4619022297758069
Energy: 1.2120623566680768
Energy: 1.4619022297758069
Energy: 1.2802414329776197
Energy: 1.4828387941123156
Energy: 1.4215286973968049
Energy: 1.4828387941123156
Energy: 1.2802414329776197
Energy: 1.4828387941123156
Energy: 1.5463370427316194
Energy: 1.5133224188148686
Energy: 1.4435575764813415
Energy: 1.5133224188148686
Energy: 1.5463370427316194
Energy: 1.5133224188158148
Energy: 1.280715110573942
Energy: 1.482788225878698
Energy: 1.4216231377718471
Energy: 1.4827882258777518
Energy: 1.2807151105748882
Energy: 1.4827882258777518
Energy: 1.2120972814476403
Energy: 1.461850936444325
Energy: 1.3741380947789
Energy: 1.461850936444325
Energy: 1.2120972814476403
Energy: 1.461850936444325
Energy: 1.3040927384132055
Energy: 1.4492796592766186
Energy: 1.3766529425576366
Energy: 1.4492796592766186
Energy: 1.3040927384198269
Energy: 1.4492796592756725
Energy: 1.2978957130644562
Energy: 1.5272891245887004
Energy: 1.4586323705623987
Energy: 1.5272891245877547
Energy: 1.2978957130635103
Energy: 1.5272891245868085
Energy: 1.5697482914416636
Energy: 1.5273472318000303
Energy: 1.2977375173961812
Energy: 1.5273472317990844
Energy: 1.5697482914426097
Energy: 1.5273472318000303
Energy: 1.374337948854102
Energy: 1.4491532779825325
Energy: 1.232820170734839
Energy: 1.4491532779825325
Energy: 1.3743379488531564
Energy: 1.4491532779844243
Energy: 1.3742613287442098
Energy: 1.4619022297748612
Energy: 1.2120623566680768
Energy: 1.4619022297748612
Energy: 1.3742613287442098
Energy: 1.4619022297748612
Energy: 1.4215286973949133
Energy: 1.4828387941132617
Energy: 1.2802414329776197
Energy: 1.4828387941123156
Energy: 1.4215286973949133
Energy: 1.4828387941132617
Energy: 1.352822049295279
Energy: 1.5133224188158148
Energy: 1.5463370427306737
Energy: 1.5133224188148686
Energy: 1.3528220487951277
Energy: 1.5133224188148686
Energy: 1.4216231377709012
Energy: 1.482788225878698
Energy: 1.2807151105748882
Energy: 1.4827882258777518
Energy: 1.4216231377718471
Energy: 1.482788225878698
Energy: 1.3741380947807917
Energy: 1.461850936444325
Energy: 1.2120972814466944
Energy: 1.461850936444325
Energy: 1.3741380947807917
Energy: 1.461850936444325

minimum gb energy = 1.2120623566680768 eV
minimum distance =  2.19724994762822 Angstroms
sigma value = 27


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

Energy: 1.17169603191356
Energy: 1.3584751012657161
Energy: 1.5014873566912947
Energy: 1.3584751012659528
Energy: 1.17169603191356
Energy: 1.3584751012659528
Energy: 1.163174281085131
Energy: 1.437245110563713
Energy: 1.2098559731503786
Energy: 1.4372451105639235
Energy: 1.1631742810846573
Energy: 1.4372451105627653
Energy: 1.1928353875390603
Energy: 1.49778987663041
Energy: 1.2076842237044256
Energy: 1.4977898766318054
Energy: 1.1928353875390603
Energy: 1.497789876630647
Energy: 1.169450665060819
Energy: 1.3583055233252703
Energy: 1.1913117511527138
Energy: 1.3583055233254808
Energy: 1.1694506650612664
Energy: 1.3583055233252703
Energy: 1.2093480836727126
Energy: 1.36533077082899
Energy: 1.1934705800453786
Energy: 1.36533077082899
Energy: 1.2093480836729495
Energy: 1.36533077082899
Energy: 1.191099169290458
Energy: 1.5092542276358962
Energy: 1.207423473960642
Energy: 1.5092542276356593
Energy: 1.1910991692902209
Energy: 1.5092542276354488
Energy: 1.2074033073797723
Energy: 1.3831397593125687
Energy: 1.1913034744437225
Energy: 1.3831397593236798
Energy: 1.207403307380009
Energy: 1.3831397593130428
Energy: 1.1692331304208798
Energy: 1.3653325514899162
Energy: 1.2112481904323151
Energy: 1.365332551489679
Energy: 1.1692331304211168
Energy: 1.365332551489679
Energy: 1.191270896507021
Energy: 1.440753008420975
Energy: 1.3343728086387538
Energy: 1.4407530084216598
Energy: 1.1912708965067837
Energy: 1.4407530084216598
Energy: 1.1911610417063352
Energy: 1.4553108899676697
Energy: 1.191154684537879
Energy: 1.4553108899676697
Energy: 1.1911610417060983
Energy: 1.4553108899678802
Energy: 1.2072975465692068
Energy: 1.440226870257691
Energy: 1.191217094349372
Energy: 1.4402268702590864
Energy: 1.207297546569681
Energy: 1.4402268702586125
Energy: 1.2111506804548005
Energy: 1.3652917448083286
Energy: 1.1691950759698075
Energy: 1.3652917448090134
Energy: 1.2111506804543266
Energy: 1.3652917448090134

minimum gb energy = 1.1631742810846573 eV
minimum distance =  2.23073252210873 Angstroms
sigma value = 9


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

Energy: 1.596453227870722
Energy: 1.5554906611891752
Energy: 1.4612584428904551
Energy: 1.5554906611898263
Energy: 1.596453227870722
Energy: 1.5554906611904773
Energy: 1.4153946907855057
Energy: 1.4900794026819482
Energy: 1.3144451214426838
Energy: 1.4900794026806459
Energy: 1.4153946907855057
Energy: 1.4900794026819482
Energy: 1.2845066821209277
Energy: 1.5088422064985412
Energy: 1.3050824593213346
Energy: 1.5088422064978901
Energy: 1.2845066821215787
Energy: 1.5088422064978901
Energy: 1.2398241510278976
Energy: 1.4746459247932164
Energy: 1.2146950004132213
Energy: 1.4746459247912636
Energy: 1.2398241510285486
Energy: 1.4746459247912636
Energy: 1.238445526937955
Energy: 1.4743772544761873
Energy: 1.2152893117914736
Energy: 1.4743772544768383
Energy: 1.238445526937955
Energy: 1.4743772544768383
Energy: 1.2208513888135981
Energy: 1.4246128608093276
Energy: 1.2865333976111828
Energy: 1.4246128608086766
Energy: 1.220851388812947
Energy: 1.4246128608086766
Energy: 1.4768534419409962
Energy: 1.5078762683844626
Energy: 1.30935434803318
Energy: 1.5078762683838116
Energy: 1.4768534419409962
Energy: 1.5078762683831606
Energy: 1.4201721793274855
Energy: 1.4732831716244261
Energy: 1.3952429337720154
Energy: 1.4732831716250772
Energy: 1.4201721793274855
Energy: 1.4732831716250772
Energy: 1.4115202895097574
Energy: 1.5007234384716326
Energy: 1.3190225279915162
Energy: 1.5007234384716326
Energy: 1.4115202895091064
Energy: 1.5007234384722836
Energy: 1.4227396038744822
Energy: 1.52432943609342
Energy: 1.2378952179647547
Energy: 1.52432943609342
Energy: 1.4227396038751332
Energy: 1.52432943609342
Energy: 1.4608886435873514
Energy: 1.4967425746919234
Energy: 1.3189274229589185
Energy: 1.4967425746906213
Energy: 1.4608886435899553
Energy: 1.4967425746906213
Energy: 1.29182238767875
Energy: 1.4727045094014248
Energy: 1.2908540652968148
Energy: 1.4727045094014248
Energy: 1.291822387679401
Energy: 1.4727045094014248
Energy: 1.2250615491039052
Energy: 1.4245935128662974
Energy: 1.2204727034167095
Energy: 1.4245935128682505
Energy: 1.2250615491052073
Energy: 1.4245935128675995
Energy: 1.478194408298412
Energy: 1.5448211112864847
Energy: 1.2218091502433168
Energy: 1.5448211112864847
Energy: 1.4781944082990632
Energy: 1.5448211112864847
Energy: 1.2946293384006722
Energy: 1.4954323574349733
Energy: 1.3437402206070062
Energy: 1.495432357435624
Energy: 1.2946293384000211
Energy: 1.495432357435624
Energy: 1.3616542017547137
Energy: 1.4772104485827815
Energy: 1.2905066431149201
Energy: 1.4772104485821305
Energy: 1.3616542017547137
Energy: 1.4772104485814794
Energy: 1.4250434385531896
Energy: 1.517517007931012
Energy: 1.3133029247463717
Energy: 1.517517007930361
Energy: 1.4250434385531896
Energy: 1.517517007931663
Energy: 1.2893264020878827
Energy: 1.4281596401271588
Energy: 1.307958541620145
Energy: 1.4281596401284609
Energy: 1.2893264020872317
Energy: 1.4281596401278098
Energy: 1.4224767501265527
Energy: 1.5397503703622832
Energy: 1.2254596545035121
Energy: 1.5397503703609812
Energy: 1.4224767501259017
Energy: 1.5397503703609812
Energy: 1.220047120687803
Energy: 1.5826277114818434
Energy: 1.2222883913643183
Energy: 1.577936364011042
Energy: 1.2200471206871522
Energy: 1.5826277114818434
Energy: 1.2253287065692748
Energy: 1.5398167418130289
Energy: 1.4223751672456169
Energy: 1.53981674181368
Energy: 1.2253287065699259
Energy: 1.5398167418130289
Energy: 1.3080132764499002
Energy: 1.4304861371154944
Energy: 1.2896605203124423
Energy: 1.4304861371148434
Energy: 1.3080132764492491
Energy: 1.4304861371154944
Energy: 1.3133589915643347
Energy: 1.5173805666510276
Energy: 1.4248508486073468
Energy: 1.5173805666510276
Energy: 1.3133589915636839
Energy: 1.5173805666510276
Energy: 1.2916041711169417
Energy: 1.477498427718185
Energy: 1.3621235674464176
Energy: 1.4774984277168832
Energy: 1.2916041711169417
Energy: 1.4774984277168832
Energy: 1.3502786447210524
Energy: 1.4956095950900659
Energy: 1.2942741051354352
Energy: 1.4956095950900659
Energy: 1.3502786447210524
Energy: 1.495609595089415
Energy: 1.2218103674532717
Energy: 1.5453702358304113
Energy: 1.4781384214731088
Energy: 1.5453702358310624
Energy: 1.2218103674500167
Energy: 1.5453702358310624
Energy: 1.2206392452488664
Energy: 1.4251244325631898
Energy: 1.224285376708791
Energy: 1.4251244325631898
Energy: 1.2206392452475643
Energy: 1.4251244325638408
Energy: 1.2851397955933488
Energy: 1.4726739332511778
Energy: 1.2918486036275736
Energy: 1.4726739332505268
Energy: 1.2851397955907446
Energy: 1.4726739332505268
Energy: 1.318925293679481
Energy: 1.4968364240855274
Energy: 1.3365667201262943
Energy: 1.4968364240855274
Energy: 1.31892529367883
Energy: 1.4968364240861782
Energy: 1.238469941961429
Energy: 1.5248920124737708
Energy: 1.4228383042764983
Energy: 1.5248920124731198
Energy: 1.2384699419601268
Energy: 1.5248920124731198
Energy: 1.3169394409651611
Energy: 1.5007234384716326
Energy: 1.411997402631379
Energy: 1.5007234384716326
Energy: 1.3169394409671142
Energy: 1.5007234384716326
Energy: 1.3391439654541917
Energy: 1.473252408115124
Energy: 1.4200693328660032
Energy: 1.473252408115124
Energy: 1.3391439654528896
Energy: 1.473252408115124
Energy: 1.3133604290338436
Energy: 1.5078893450446051
Energy: 1.556803263258592
Energy: 1.5078893450452564
Energy: 1.3133604290344947
Energy: 1.5078893450452564
Energy: 1.3147662433586513
Energy: 1.4256986155526763
Energy: 1.2209728463071132
Energy: 1.4256986155533273
Energy: 1.3147662433553962
Energy: 1.4256986155533273
Energy: 1.2142247588406103
Energy: 1.4741965302165259
Energy: 1.2386185703129633
Energy: 1.4741965302158748
Energy: 1.2142247588386574
Energy: 1.4741965302158748
Energy: 1.2155877428504616
Energy: 1.4763895995278247
Energy: 1.2398230218888109
Energy: 1.4763895995271736
Energy: 1.2155877428511128
Energy: 1.4763895995271736
Energy: 1.3053335633336192
Energy: 1.5087021383295751
Energy: 1.2839127988561123
Energy: 1.5087021383302264
Energy: 1.3053335633342702
Energy: 1.5087021383302264
Energy: 1.3156190710707232
Energy: 1.490079402682599
Energy: 1.4156451396221212
Energy: 1.490079402682599
Energy: 1.3156190710707232
Energy: 1.4900794026806459
Energy: 1.4612584428904551
Energy: 1.5554906611891752
Energy: 1.5964532278700707
Energy: 1.5554906611891752
Energy: 1.4612584428911062
Energy: 1.5554906611891752
Energy: 1.314445121444637
Energy: 1.5069739588737951
Energy: 1.4153946907855057
Energy: 1.49007940268325
Energy: 1.314445121442033
Energy: 1.526237132994991
Energy: 1.3050824593213346
Energy: 1.5088422064991922
Energy: 1.2845066821209277
Energy: 1.5088422064991922
Energy: 1.3050824593200323
Energy: 1.5088422064991922
Energy: 1.2146950004132213
Energy: 1.4746459247919144
Energy: 1.2398241510272465
Energy: 1.4746459247919144
Energy: 1.2146950004132213
Energy: 1.4746459247919144
Energy: 1.2152893117921246
Energy: 1.4743772544761873
Energy: 1.238445526939257
Energy: 1.4743772544755365
Energy: 1.2152893117908226
Energy: 1.4743772544755365

minimum gb energy = 1.2142247588386574 eV
minimum distance =  2.18515793868867 Angstroms
sigma value = 57


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

Energy: 1.374709066762367
Energy: 1.4232855781648577
Energy: 1.4536894140981287
Energy: 1.4232855781648577
Energy: 1.374709066762367
Energy: 1.4232855781663394
Energy: 1.6875268407582824
Energy: 1.4525421229675366
Energy: 1.1467736252082439
Energy: 1.4525421229690183
Energy: 1.6875268407582824
Energy: 1.4525421229645727
Energy: 1.1149377701067402
Energy: 1.398792442867914
Energy: 1.2581065920256553
Energy: 1.398792442867914
Energy: 1.1149377701082224
Energy: 1.398792442867914
Energy: 1.1361256566413387
Energy: 1.3970580831555344
Energy: 1.1375789129549432
Energy: 1.3970580831555344
Energy: 1.1361256566413387
Energy: 1.3970580831555344
Energy: 1.1364564339286662
Energy: 1.425126317325631
Energy: 1.1367339459979457
Energy: 1.425126317325631
Energy: 1.1364564339286662
Energy: 1.4251263173271134
Energy: 1.7090000879391951
Energy: 1.395504994025307
Energy: 1.114791243161657
Energy: 1.395504994025307
Energy: 1.7090000879406773
Energy: 1.395504994025307
Energy: 1.709271388728941
Energy: 1.3984730485387487
Energy: 1.1145429655551262
Energy: 1.3984730485387487
Energy: 1.709271388728941
Energy: 1.3984730485387487
Energy: 1.1364645872945762
Energy: 1.423128573963007
Energy: 1.1376459480011205
Energy: 1.4231285739200636
Energy: 1.136464587296058
Energy: 1.423128573961525
Energy: 1.1361815976501286
Energy: 1.395159785082795
Energy: 1.1363425804297056
Energy: 1.395159785081313
Energy: 1.1361815976516105
Energy: 1.395159785081313
Energy: 1.114926972909223
Energy: 1.396195763130298
Energy: 1.2586765259366763
Energy: 1.3961957631317798
Energy: 1.114926972909223
Energy: 1.396195763130298
Energy: 1.6875010872116414
Energy: 1.4525421229690183
Energy: 1.137230581028093
Energy: 1.4525421229690183
Energy: 1.6875010872116414
Energy: 1.4525421229705004
Energy: 1.374709066762367
Energy: 1.4232855781663394
Energy: 1.363989783700012
Energy: 1.4232855781663394
Energy: 1.374709066762367
Energy: 1.4232855781663394
Energy: 1.6875268407582824
Energy: 1.4525421229675366
Energy: 1.146773625209726
Energy: 1.4525421229690183
Energy: 1.6875268407582824
Energy: 1.4525421229705004
Energy: 1.1149377701082224
Energy: 1.398792442867914
Energy: 1.2581065920256553
Energy: 1.398792442867914
Energy: 1.1149377701067402
Energy: 1.398792442867914
Energy: 1.1361256566413387
Energy: 1.3970580831555344
Energy: 1.2051800752092003
Energy: 1.3970580831555344
Energy: 1.1361256566413387
Energy: 1.3970580831555344
Energy: 1.1364564339286662
Energy: 1.4251263173271134
Energy: 1.1367339459979457
Energy: 1.425126317334523
Energy: 1.1364564339286662
Energy: 1.4251263173285953
Energy: 1.7090000879391951
Energy: 1.395504994025307
Energy: 1.114791243161657
Energy: 1.395504994025307
Energy: 1.7090000879391951
Energy: 1.395504994025307
Energy: 1.709271388728941
Energy: 1.3984730485387487
Energy: 1.1145429655551262
Energy: 1.3984730485387487
Energy: 1.709271388728941
Energy: 1.3984730485387487
Energy: 1.136464587296058
Energy: 1.423128573952667
Energy: 1.2095979148789882
Energy: 1.4231285739170998
Energy: 1.136464587296058
Energy: 1.4231285739541488

minimum gb energy = 1.1145429655551262 eV
minimum distance =  2.18330773014044 Angstroms
sigma value = 11


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

Energy: 1.2433384611220282
Energy: 1.3644207548348168
Energy: 1.3458791681734352
Energy: 1.3644207548359024
Energy: 1.2433384611220282
Energy: 1.3644207548359024
Energy: 1.7197718929597123
Energy: 1.311002929916218
Energy: 1.0536073595429791
Energy: 1.3110029299183894
Energy: 1.7197718929597123
Energy: 1.3110029299227317
Energy: 1.2277153143817618
Energy: 1.2950759340828397
Energy: 1.199287155720179
Energy: 1.2950759340828397
Energy: 1.2277153143828474
Energy: 1.2950759340828397
Energy: 1.2522978237716964
Energy: 1.2852434636458472
Energy: 1.0545933028883234
Energy: 1.2852434636480183
Energy: 1.252297823772782
Energy: 1.2852434636469328
Energy: 1.052748734651925
Energy: 1.3646845734560904
Energy: 1.0980587604267666
Energy: 1.3646845734539195
Energy: 1.052748734651925
Energy: 1.3646845734560904
Energy: 1.0663897230402104
Energy: 1.3497328010492948
Energy: 1.0531967121939771
Energy: 1.3497328010460383
Energy: 1.066389723041296
Energy: 1.3497328010460383
Energy: 1.0653758972184622
Energy: 1.3826824249305458
Energy: 1.0633862069956708
Energy: 1.3826824249316312
Energy: 1.0653758972195477
Energy: 1.3826824249316312
Energy: 1.4672007942750238
Energy: 1.3605746034929564
Energy: 1.0754940685000896
Energy: 1.360574603494042
Energy: 1.4672007942750238
Energy: 1.360574603494042
Energy: 1.4657001494293587
Energy: 1.3578035474357055
Energy: 1.396153602920833
Energy: 1.3578035474378767
Energy: 1.4657001494293587
Energy: 1.3578035474367909
Energy: 1.066361994449409
Energy: 1.2963179689539488
Energy: 1.0530559036278822
Energy: 1.2963179689572055
Energy: 1.066361994449409
Energy: 1.2963179689539488
Energy: 1.0656585940494845
Energy: 1.3461022151028477
Energy: 1.0648677915447053
Energy: 1.346102215101762
Energy: 1.0656585940483991
Energy: 1.346102215101762
Energy: 1.0536921120423315
Energy: 1.3603092849902914
Energy: 1.054386663788635
Energy: 1.3603092849902914
Energy: 1.0536921120423315
Energy: 1.3603092849902914
Energy: 1.4687272196523706
Energy: 1.1933400700041583
Energy: 1.0982059746545008
Energy: 1.1933400700041583
Energy: 1.4687272196512848
Energy: 1.1933400700041583
Energy: 1.0565236679611842
Energy: 1.298608760672225
Energy: 1.0779022966575404
Energy: 1.2986087606711396
Energy: 1.0565236657747061
Energy: 1.298608760670054
Energy: 1.7164121095234393
Energy: 1.3106339221489687
Energy: 1.0642009864027415
Energy: 1.3106339221467975
Energy: 1.7164121095234393
Energy: 1.3106339221511398
Energy: 1.2365412422985487
Energy: 1.359997186674737
Energy: 1.2726568952068562
Energy: 1.359997186674737
Energy: 1.236541242297463
Energy: 1.359997186674737
Energy: 1.7289349201859443
Energy: 1.310054114389193
Energy: 1.0692112500917272
Energy: 1.3100541143783375
Energy: 1.7289349201848587
Energy: 1.3100541143739952
Energy: 1.0561038345298879
Energy: 1.298512901480885
Energy: 1.0837924697480166
Energy: 1.298512901477628
Energy: 1.05610383453423
Energy: 1.298512901477628
Energy: 1.2519996597058398
Energy: 1.2849857064063843
Energy: 1.052316863466847
Energy: 1.2849857064074701
Energy: 1.251999659704754
Energy: 1.2849857064074701
Energy: 1.053313379972683
Energy: 1.364708484277212
Energy: 1.0711322531481042
Energy: 1.3647084842782977
Energy: 1.053313379972683
Energy: 1.3647084842782977
Energy: 1.51153637484665
Energy: 1.3468572735771056
Energy: 1.0576170352049357
Energy: 1.3468572735781912
Energy: 1.51153637484665
Energy: 1.3468572735781912
Energy: 1.0664655435862136
Energy: 1.3767731890944022
Energy: 1.0611505641562595
Energy: 1.3767731890933166
Energy: 1.0664655435862136
Energy: 1.3767731890933166
Energy: 1.4706127567746439
Energy: 1.357630210780315
Energy: 1.0742525877065414
Energy: 1.3576302107814007
Energy: 1.4706127567735585
Energy: 1.3576302107814007
Energy: 1.0541626212560349
Energy: 1.3654124469503757
Energy: 1.4772466857968132
Energy: 1.3654124469514612
Energy: 1.0541626212560349
Energy: 1.3654124469503757
Energy: 1.067914426370678
Energy: 1.2931321845691495
Energy: 1.0567378270409844
Energy: 1.2931321845680637
Energy: 1.0679144263695923
Energy: 1.2931321845680637
Energy: 1.0665711356749226
Energy: 1.3452083149217935
Energy: 1.060779144012656
Energy: 1.3452083149217935
Energy: 1.066571135676008
Energy: 1.345208314920708

minimum gb energy = 1.052316863466847 eV
minimum distance =  2.23884093180499 Angstroms
sigma value = 41


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

Energy: 1.5367977773166008
Energy: 1.2958423370373044
Energy: 1.2845808986894631
Energy: 1.295842337036449
Energy: 1.536797777315745
Energy: 1.295842337036449
Energy: 1.9397958286840584
Energy: 1.1931394767910428
Energy: 0.9831940667934324
Energy: 1.1931394767910428
Energy: 1.9397958286840584
Energy: 1.1931394767910428
Energy: 1.124538137669542
Energy: 1.2516007990707427
Energy: 1.014882718192522
Energy: 1.2516007990707427
Energy: 1.1245381376703973
Energy: 1.2516007990707427
Energy: 1.4949493498932702
Energy: 1.1676613423051945
Energy: 0.9830566222837421
Energy: 1.1676613423051945
Energy: 1.4949493498932702
Energy: 1.1676613423043387
Energy: 1.1040859781766486
Energy: 1.17968568841364
Energy: 0.9953375492835138
Energy: 1.17968568841364
Energy: 1.1040859781775043
Energy: 1.17968568841364
Energy: 1.2920491771759999
Energy: 1.2308102642266616
Energy: 0.9841895236242846
Energy: 1.2308102642266616
Energy: 1.2920491771759999
Energy: 1.2308102642266616
Energy: 0.9833282822703913
Energy: 1.23943715810379
Energy: 0.9850717517516108
Energy: 1.23943715810379
Energy: 0.9833282822703913
Energy: 1.23943715810379
Energy: 1.339179755334547
Energy: 1.2394553863737277
Energy: 1.0027056517962472
Energy: 1.2394553863737277
Energy: 1.3391797553336915
Energy: 1.2394553863737277
Energy: 0.9986468887924501
Energy: 1.1805754448406134
Energy: 1.2937826283346117
Energy: 1.180575444839758
Energy: 0.9986468887924501
Energy: 1.1805754448389023
Energy: 1.3039293273578265
Energy: 1.2394465803155967
Energy: 1.2935098195185042
Energy: 1.2394465803155967
Energy: 1.3039293273586823
Energy: 1.2394465803147412
Energy: 1.2973597720641628
Energy: 1.2969844495173322
Energy: 1.2974060053082437
Energy: 1.2969844495173322
Energy: 1.2973597720641628
Energy: 1.2969844495173322
Energy: 0.9946262204882583
Energy: 1.2394628176448625
Energy: 1.0043526239102454
Energy: 1.2394628176448625
Energy: 0.9946262204882583
Energy: 1.2394628176448625
Energy: 0.998550165865784
Energy: 1.2310356414805108
Energy: 1.2786383775408547
Energy: 1.2310356414813666
Energy: 0.998550165865784
Energy: 1.2310356414805108
Energy: 0.9823149518372827
Energy: 1.239475074663024
Energy: 0.9826437284099944
Energy: 1.239475074663024
Energy: 0.9823149518372827
Energy: 1.239475074663024
Energy: 1.3002391227633727
Energy: 1.2313181716463484
Energy: 0.9843133254092019
Energy: 1.2313181716454928
Energy: 1.3002391227642283
Energy: 1.2313181716454928
Energy: 0.9859283829861096
Energy: 1.2403002673049452
Energy: 0.9828558964564534
Energy: 1.240300267305801
Energy: 0.9859283829852541
Energy: 1.2403002673049452
Energy: 1.2789178393650456
Energy: 1.2573572674262399
Energy: 0.9964131938442699
Energy: 1.2573572674262399
Energy: 1.2789178393650456
Energy: 1.2573572674262399
Energy: 1.0054772040555113
Energy: 1.2394085772754302
Energy: 0.9942911686291481
Energy: 1.2394085772754302
Energy: 1.0054772040674511
Energy: 1.2394085772754302
Energy: 1.7094325827187913
Energy: 1.196798574820946
Energy: 0.9844239114099996
Energy: 1.1967985748295022
Energy: 1.7094325827187913
Energy: 1.1967985748132455
Energy: 1.2939546011161358
Energy: 1.2394125715840925
Energy: 1.2964333000658324
Energy: 1.2394125715858038
Energy: 1.2939546011315368
Energy: 1.2394125715849482
Energy: 1.6950572701389492
Energy: 1.1936861049384198
Energy: 0.9960327989783347
Energy: 1.1936861049384198
Energy: 1.6950572701389492
Energy: 1.1936861049375642
Energy: 1.006722644711614
Energy: 1.239871918734821
Energy: 0.9957539423206507
Energy: 1.239871918734821
Energy: 1.006722644711614
Energy: 1.239871918734821
Energy: 1.492943276591538
Energy: 1.168197057292011
Energy: 0.9846333587293439
Energy: 1.168197057292011
Energy: 1.4929432765906825
Energy: 1.168197057292011
Energy: 0.985666727762894
Energy: 1.230583212547945
Energy: 1.1442048200846104
Energy: 1.2305832125470892
Energy: 0.9856667277620383
Energy: 1.2305832125470892
Energy: 1.1433198620877354
Energy: 1.230300794996308
Energy: 0.9830455555323057
Energy: 1.2303007949954523
Energy: 1.1433198620877354
Energy: 1.2303007949954523
Energy: 0.9821786459810783
Energy: 1.1676454162585457
Energy: 1.1304073920769153
Energy: 1.190188178575322
Energy: 0.9821786459810783
Energy: 1.1676454162594014
Energy: 1.3400834984678245
Energy: 1.2393413184347348
Energy: 1.0035578163926038
Energy: 1.2393413184338793
Energy: 1.3400834984686805
Energy: 1.2393413184338793
Energy: 0.9948944138128639
Energy: 1.2426976156917706
Energy: 1.4855661752052962
Energy: 1.2426976156917706
Energy: 0.9948944138128639
Energy: 1.232583189495867
Energy: 1.3052337116177437
Energy: 1.239143989592985
Energy: 1.2924982828551645
Energy: 1.239143989593841
Energy: 1.305233711618599
Energy: 1.239143989593841
Energy: 0.9824667708901857
Energy: 1.227277531733196
Energy: 1.2930303494245732
Energy: 1.2344624087334537
Energy: 0.9824667708901857
Energy: 1.2272775317340516
Energy: 0.9954387964336077
Energy: 1.2393283663234345
Energy: 1.0036629312378509
Energy: 1.2393283663234345
Energy: 0.9954387964336077
Energy: 1.2393283663234345
Energy: 0.9950209132054387
Energy: 1.2990755724016394
Energy: 1.2821277553223858
Energy: 1.2990755724016394
Energy: 0.9950209132054387
Energy: 1.2990755724016394
Energy: 0.9846996000881837
Energy: 1.2393602036254778
Energy: 0.9850365872440611
Energy: 1.2393602036254778
Energy: 0.9846996000881837
Energy: 1.2393602036254778

minimum gb energy = 0.9821786459810783 eV
minimum distance =  2.23504388501237 Angstroms
sigma value = 33


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

Energy: 1.2708388243510689
Energy: 1.1224288753310707
Energy: 1.1809005235177406
Energy: 1.1224288753316711
Energy: 1.2708388243516697
Energy: 1.1224288753316711
Energy: 1.8457526157650062
Energy: 1.0309123342091073
Energy: 0.8861853771051007
Energy: 1.0309123342091073
Energy: 1.845752615764406
Energy: 1.0309123342073059
Energy: 1.2632575741735543
Energy: 1.12045710668353
Energy: 1.0356662168842994
Energy: 1.120457106684731
Energy: 1.2632575741741545
Energy: 1.120457106684731
Energy: 1.704710192157128
Energy: 1.0146711838938225
Energy: 0.8862199557769027
Energy: 1.014671183894423
Energy: 1.7047101921577283
Energy: 1.0146711838938225
Energy: 0.942362610615673
Energy: 1.0948596123228471
Energy: 0.8927723901467914
Energy: 1.0948596123246486
Energy: 0.9423626106174744
Energy: 1.0948596123222465
Energy: 1.3669278771187277
Energy: 1.0657411910227763
Energy: 0.8861369306861321
Energy: 1.0657411910209749
Energy: 1.3669278771175266
Energy: 1.0657411910215753
Energy: 0.923207486736704
Energy: 1.0797076353141613
Energy: 0.8834912669299018
Energy: 1.0797076353135608
Energy: 0.9232074867373045
Energy: 1.0797076353141613
Energy: 1.2258599156334828
Energy: 1.0692530822470472
Energy: 0.8944486308562236
Energy: 1.0692530822470472
Energy: 1.2258599156304806
Energy: 1.0692530822476478
Energy: 0.9017535704621747
Energy: 1.0943469953327147
Energy: 1.0657003127383617
Energy: 1.0943469953303127
Energy: 0.9017535704615743
Energy: 1.094346995330913
Energy: 1.0855011009630215
Energy: 1.0980190404052312
Energy: 1.1159572565116576
Energy: 1.0980190404046306
Energy: 1.0855011009636222
Energy: 1.0980190404046306
Energy: 0.8958753169363689
Energy: 1.0798654920303772
Energy: 1.1157469197657306
Energy: 1.0798654920315782
Energy: 0.8958753169357684
Energy: 1.0798654920315782
Energy: 1.3867207301076607
Energy: 1.1138951363270186
Energy: 1.1126718931091022
Energy: 1.1138951363282195
Energy: 1.38672073010706
Energy: 1.1138951363282195
Energy: 1.0900612562071643
Energy: 1.0944283083892847
Energy: 1.3180585514649086
Energy: 1.0944283083886845
Energy: 1.0900612562083656
Energy: 1.0944283083892847
Energy: 1.0980990493116418
Energy: 1.1150330077004202
Energy: 1.3935040189309233
Energy: 1.1150330077010207
Energy: 1.0980990493134433
Energy: 1.1150330077010207
Energy: 1.0983174393409638
Energy: 1.0711799901372936
Energy: 1.3944416625428182
Energy: 1.0711799901372936
Energy: 1.0983174393409638
Energy: 1.0711799901360928
Energy: 1.0939360629016202
Energy: 1.1145553222812903
Energy: 1.1168593660036814
Energy: 1.1145553222812903
Energy: 1.093936062902821
Energy: 1.1145553222806899
Energy: 1.08719559491454
Energy: 1.0952510508599238
Energy: 1.3140715781553427
Energy: 1.0952510508605242
Energy: 1.0871955949151404
Energy: 1.0952510508599238
Energy: 0.8830920990095613
Energy: 1.1141135242525995
Energy: 1.1026429578008414
Energy: 1.1141135242538003
Energy: 0.8830920990095613
Energy: 1.1141135242538003
Energy: 1.0975064672595225
Energy: 1.0927109710303073
Energy: 1.104595603961606
Energy: 1.0927109710291063
Energy: 1.0975064672595225
Energy: 1.092710971029707
Energy: 0.8919183901702933
Energy: 1.1148012301696113
Energy: 0.8951780339805792
Energy: 1.1148012301696113
Energy: 0.8919183901690924
Energy: 1.1148012301696113
Energy: 1.0906277483674334
Energy: 1.0927477107735497
Energy: 1.061806939739629
Energy: 1.0927477107741501
Energy: 1.090627748365632
Energy: 1.0927477107741501
Energy: 0.8967407487317544
Energy: 1.1142883605794534
Energy: 0.8864247999082354
Energy: 1.114288360578853
Energy: 0.8967407487251491
Energy: 1.114288360578853
Energy: 1.3747856627615322
Energy: 1.10367491182935
Energy: 0.8831628570346793
Energy: 1.1036749118299505
Energy: 1.3747856627615322
Energy: 1.1036749118299505
Energy: 0.9238540658894708
Energy: 1.114155302727135
Energy: 0.8861695781205562
Energy: 1.114155302727135
Energy: 0.9238540658888704
Energy: 1.114155302727135
Energy: 1.3703931226614463
Energy: 1.094519447273818
Energy: 1.0505068727594684
Energy: 1.0945194472732174
Energy: 1.3703931226632478
Energy: 1.0945194472732174
Energy: 1.124501378488953
Energy: 1.1142298568853075
Energy: 0.8903894284107231
Energy: 1.1142298568865083
Energy: 1.1245013784961588
Energy: 1.1142298568865083
Energy: 1.8463049796510878
Energy: 1.0444803551461148
Energy: 0.8831491380422779
Energy: 1.0444803551461148
Energy: 1.8463049796510878
Energy: 1.0444803551461148
Energy: 1.1407604786159349
Energy: 1.1141696026240222
Energy: 1.1071299713243359
Energy: 1.1141696026234214
Energy: 1.1407604786153347
Energy: 1.1141696026234214
Energy: 1.524128927324991
Energy: 1.0853414031482729
Energy: 0.9849245005865114
Energy: 1.0853414031488735
Energy: 1.5241289273255916
Energy: 1.085341403147072
Energy: 1.1268593010573773
Energy: 1.1137261301138197
Energy: 1.1062060536351568
Energy: 1.113726130113219
Energy: 1.1268593010555759
Energy: 1.113726130113219
Energy: 1.5306332077530143
Energy: 1.0157858755190772
Energy: 0.8830254825602583
Energy: 1.0157858755154743
Energy: 1.5306332077524136
Energy: 1.0157858755142735
Energy: 0.926565008744571
Energy: 1.0979559660261973
Energy: 1.1150333993419077
Energy: 1.097955966026798
Energy: 0.926565008744571
Energy: 1.097955966026798
Energy: 1.2268763470706314
Energy: 1.0662926821800958
Energy: 0.8914811925626169
Energy: 1.0662926821794954
Energy: 1.2268763470706314
Energy: 1.0662926821806964
Energy: 0.9029106556159682
Energy: 1.0688671076549932
Energy: 1.4065770650398874
Energy: 1.0688671076561937
Energy: 0.9029106556159682
Energy: 1.0688671076555933
Energy: 1.4066828863214187
Energy: 1.0690088733258551
Energy: 0.9030267197383247
Energy: 1.0690088733258551
Energy: 1.4066828863214187
Energy: 1.0690088733258551
Energy: 0.8914544712064039
Energy: 1.0657601295891006
Energy: 1.2265761180840908
Energy: 1.065760129589701
Energy: 0.8914544712058033
Energy: 1.065760129589701
Energy: 1.1153543945653472
Energy: 1.0979386883196915
Energy: 0.9236987622763831
Energy: 1.0979386883196915
Energy: 1.1153543945653472
Energy: 1.0979386883196915
Energy: 0.8830544627926543
Energy: 1.0144514954088752
Energy: 1.5296543367513677
Energy: 1.0144514954082748
Energy: 0.8830544627926543
Energy: 1.0144514954088752
Energy: 1.1062060536411615
Energy: 1.1137094746835714
Energy: 1.1259906016720083
Energy: 1.1137094746847722
Energy: 1.1062060536411615
Energy: 1.1137094746847722
Energy: 1.0916361691103427
Energy: 1.0850212154426455
Energy: 1.5238143753761266
Energy: 1.0850212154432461
Energy: 1.0916361691103427
Energy: 1.0850212154432461
Energy: 1.1055540597696463
Energy: 1.1142051796262449
Energy: 1.14326752962086
Energy: 1.1142051796274457
Energy: 1.1055540597636413
Energy: 1.1142051796274457
Energy: 0.8830812877816681
Energy: 1.0452485716418451
Energy: 1.8467093468774236
Energy: 1.0452485716406443
Energy: 0.8830812877816681
Energy: 1.0452485716406443
Energy: 0.8900148114256866
Energy: 1.1141684638878024
Energy: 1.121665813740543
Energy: 1.1141684638896039
Energy: 0.8900148114256866
Energy: 1.1141684638896039
Energy: 1.0941739658365817
Energy: 1.0944863714806432
Energy: 1.3726473207630951
Energy: 1.0944863714806432
Energy: 1.0941739658348348
Energy: 1.0944863714806432
Energy: 0.8861188378433542
Energy: 1.114099682567737
Energy: 0.9266707101264562
Energy: 1.1140996825695384
Energy: 0.8861188378433542
Energy: 1.1140996825695384
Energy: 0.8830915064622246
Energy: 1.1036749118287497
Energy: 1.3736419969107176
Energy: 1.10367491182935
Energy: 0.8830915064622246
Energy: 1.1036749118287497
Energy: 0.8863096354514568
Energy: 1.1143082643050204
Energy: 0.9032432134810398
Energy: 1.1143082643050204
Energy: 0.8863096354514568
Energy: 1.1143082643050204

minimum gb energy = 0.8830254825602583 eV
minimum distance =  2.23346666188066 Angstroms
sigma value = 67


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

Energy: 0.33982526295655097
Energy: 0.2942816872309607
Energy: 1.036638988949146
Energy: 0.29428168723057313
Energy: 0.3398252629569614
Energy: 0.29428168723057313
Energy: 0.2781358477398297
Energy: 0.7048518413798659
Energy: 0.7148219597250186
Energy: 0.7048518413790678
Energy: 0.27813584774024014
Energy: 0.7048518413790678
Energy: 0.3398252629569614
Energy: 0.29428168723137116
Energy: 1.0366389888841603
Energy: 0.2942816872301627
Energy: 0.3398252629569614
Energy: 0.2942816872301627
Energy: 0.2781358477398297
Energy: 0.7048518413798659
Energy: 0.7148219017901434
Energy: 0.7048518413790678
Energy: 0.27813584773941924
Energy: 0.7048518413790678
Energy: 0.3398252629569614
Energy: 0.2942816872309607
Energy: 1.0366389887565823
Energy: 0.29428168723057313
Energy: 0.3398252629569614
Energy: 0.29428168723057313
Energy: 0.27813584774024014
Energy: 0.7048518413798659
Energy: 0.7148220138194041
Energy: 0.7048518413790678
Energy: 0.2781358477398297
Energy: 0.7048518413790678
Energy: 0.33982526295734905
Energy: 0.2942816872309607
Energy: 1.0366389886787588
Energy: 0.2942816872301627
Energy: 0.3398252629569614
Energy: 0.2942816872301627

minimum gb energy = 0.27813584773941924 eV
minimum distance =  2.40058199526175 Angstroms
sigma value = 3


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

Energy: 1.4219861036825672
Energy: 1.1115739460193126
Energy: 1.2368191624744878
Energy: 1.1115739460193126
Energy: 1.421986103680929
Energy: 1.1115739460193126
Energy: 1.813616389191759
Energy: 0.8824252068565597
Energy: 0.8701537430952021
Energy: 0.8824252068592902
Energy: 1.8136163891912127
Energy: 0.8824252068592902
Energy: 1.4001992680658706
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Energy: 1.0973711631578955
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Energy: 1.358797850372138
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Energy: 1.3683937292776949
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Energy: 1.0977506395946452
Energy: 1.07366815139553
Energy: 1.3588016117163775
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Energy: 1.0627760611481605
Energy: 1.0961165424303336
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Energy: 0.8742144618993687
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Energy: 1.0826692592499199
Energy: 1.0885449056052448
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Energy: 1.0742123815313684
Energy: 1.0826692592482816
Energy: 0.8657322958496554
Energy: 1.0294431341703865
Energy: 1.3762718679895938
Energy: 1.029443134173663
Energy: 0.8657322958496554
Energy: 1.029443134173663
Energy: 0.8694659586024283
Energy: 1.0667909636984507
Energy: 1.1049564030458527
Energy: 1.0667909636989967
Energy: 0.869465958601336
Energy: 1.066790963699543
Energy: 0.8759537560983053
Energy: 1.041795193597909
Energy: 1.3734710283074154
Energy: 1.041795193597363
Energy: 0.8759537560993975
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Energy: 0.8720116835247271
Energy: 1.0791787806302442
Energy: 1.3797276902609943
Energy: 1.0791787806307902
Energy: 0.8720116835252731
Energy: 1.0791787806307902
Energy: 0.873183681048871
Energy: 0.8814061719163298
Energy: 1.5397402531242017
Energy: 0.8814061719163298
Energy: 0.873183681048325
Energy: 0.8814061719163298
Energy: 0.8631981859067052
Energy: 1.0977364659785753
Energy: 1.404617752394583
Energy: 1.0977364659791218
Energy: 0.8631981859050668
Energy: 1.097736465979668
Energy: 0.860101875396901
Energy: 0.954889942160366
Energy: 1.5262900386009712
Energy: 0.954889942160366
Energy: 0.8601018753990856
Energy: 0.9548899421581816
Energy: 0.8605566347931328
Energy: 1.0852795168977405
Energy: 1.382546294107947
Energy: 1.085279516897194
Energy: 0.8605566347942252
Energy: 1.085279516897194
Energy: 0.8727051395173921
Energy: 0.8676138505014803
Energy: 1.5276470781224256
Energy: 0.8676138505020264
Energy: 0.8727051395168459
Energy: 0.8676138505025726
Energy: 0.8535797829037
Energy: 1.0688612374703328
Energy: 1.1049761720504008
Energy: 1.0688612374708786
Energy: 0.8535797829037
Energy: 1.0688612374708786
Energy: 0.8694056261456312
Energy: 1.0291840760554956
Energy: 1.2541018380930467
Energy: 1.0291840760544033
Energy: 0.8694056261450851
Energy: 1.029184076054949
Energy: 1.1064712423579053
Energy: 1.0582404506971157
Energy: 1.0880452470645612
Energy: 1.058240450698208
Energy: 1.1064712423573595
Energy: 1.0582404506976615

minimum gb energy = 0.8480903014382857 eV
minimum distance =  2.26273251719501 Angstroms
sigma value = 81


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

Energy: 1.3954528155315062
Energy: 1.248386064448969
Energy: 1.3618331119381126
Energy: 1.248386064450468
Energy: 1.3954528155322556
Energy: 1.248386064448969
Energy: 1.6727905824142866
Energy: 0.9859502702037197
Energy: 0.9722374913640016
Energy: 0.9859502702044692
Energy: 1.6727905824150362
Energy: 0.9859502702044692
Energy: 1.306969009555768
Energy: 1.2450035303728748
Energy: 0.9841330023299103
Energy: 1.2450035303721252
Energy: 1.30696900955277
Energy: 1.2450035303721252
Energy: 1.2580558731063705
Energy: 0.9696395486057777
Energy: 0.9718865029612297
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Energy: 1.2580558738428687
Energy: 0.9696395486065273
Energy: 1.0009567709920373
Energy: 1.2009589904190523
Energy: 0.9503371897684908
Energy: 1.2009589904220506
Energy: 1.0009567709927867
Energy: 1.2009589904235496
Energy: 1.1069942298291102
Energy: 1.1844501744355689
Energy: 0.9648286195000996
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Energy: 1.10699422982986
Energy: 1.1844501744363185
Energy: 0.9769216936940507
Energy: 1.2065842624221343
Energy: 1.1206278797565183
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Energy: 0.9769216936940507
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Energy: 0.9605417976918875
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Energy: 0.9659727811575579
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Energy: 1.6624430534603678
Energy: 1.2173040957687862
Energy: 0.9659727811568084
Energy: 1.2173040957687862
Energy: 0.972693199112493
Energy: 1.2077801699655215
Energy: 1.282586066907616
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Energy: 0.9726931991117436
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Energy: 0.9724024378144168
Energy: 1.241317097882229
Energy: 1.2576126879783864
Energy: 1.2413170978814794
Energy: 0.9724024378144168
Energy: 1.2413170978814794
Energy: 0.9666103618528031
Energy: 1.2281246823993663
Energy: 0.9886138065964517
Energy: 1.2281246823986167
Energy: 0.9666103618528031
Energy: 1.2281246823993663
Energy: 0.9659520370401569
Energy: 1.1847822470108222
Energy: 1.2685804768591835
Energy: 1.184782247007824
Energy: 0.9659520370394074
Energy: 1.1847822470108222
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Energy: 1.257261721349278
Energy: 1.2073404958427054
Energy: 1.2574887617731911
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Energy: 1.2271609345511993
Energy: 1.2752469890773472
Energy: 1.2280010506908419
Energy: 0.9720018228149501
Energy: 1.2280010506908419
Energy: 1.2752469890765978
Energy: 1.2280010506908419
Energy: 1.2751101618530154
Energy: 1.2073506933352112
Energy: 1.2807765909430422
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Energy: 1.2751101618515164
Energy: 1.2073506933344615
Energy: 1.6580425640461964
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Energy: 0.9607085964328896
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Energy: 1.6580425640461964
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Energy: 1.6581299450176061
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Energy: 0.9606142526323553
Energy: 1.2176667101151337
Energy: 1.6581299450168567
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Energy: 1.274974911601365
Energy: 1.2073247066021464
Energy: 1.12610955201392
Energy: 1.2073247066013968
Energy: 1.274974911601365
Energy: 1.2073247066013968
Energy: 1.2755568350557138
Energy: 1.2280033258878276
Energy: 0.9720144382163131
Energy: 1.2280033258878276
Energy: 1.2755568350557138
Energy: 1.2280033258878276
Energy: 1.2574152254998399
Energy: 1.2278983644600097
Energy: 0.9511314768689292
Energy: 1.2278983644585106
Energy: 1.2574152254998399
Energy: 1.2278983644585106
Energy: 1.2571877209795606
Energy: 1.2071745174165083
Energy: 0.9647752651157402
Energy: 1.2071745174165083
Energy: 1.2571877209795606
Energy: 1.2071745174165083
Energy: 0.9659511495102896
Energy: 1.1842708720175692
Energy: 1.12146316279518
Energy: 1.1842708720175692
Energy: 0.9659511495102896
Energy: 1.1842708720175692
Energy: 0.9666272916081727
Energy: 1.2280052201033127
Energy: 0.988650573892885
Energy: 1.2280052201033127
Energy: 0.9666272916081727
Energy: 1.2280052201040623
Energy: 0.9724350567175554
Energy: 1.241317097882229
Energy: 1.2574914249823275
Energy: 1.241317097882229
Energy: 0.9724350567175554
Energy: 1.2413170978814794
Energy: 0.9727180497391407
Energy: 1.207775490636219
Energy: 1.2762184784212982
Energy: 1.207775490636219
Energy: 0.9727180497391407
Energy: 1.207775490636219
Energy: 0.965984559782357
Energy: 1.2176220054313553
Energy: 1.461367397480147
Energy: 1.2176220054321047
Energy: 0.9659845597816074
Energy: 1.2176220054321047
Energy: 0.9603373330901949
Energy: 1.2278558558484634
Energy: 1.3727544513131855
Energy: 1.2278558558484634
Energy: 0.9603373330901949
Energy: 1.2278558558492128
Energy: 0.9727436219820629
Energy: 1.0911957544226778
Energy: 1.4961984990154187
Energy: 1.0911957544226778
Energy: 0.9727436219813133
Energy: 1.0911957544219282
Energy: 0.9726864899145237
Energy: 1.2070604115755015
Energy: 1.2765510376592275
Energy: 1.2070604115762509
Energy: 0.9726864899145237
Energy: 1.2070604115762509
Energy: 0.9661678772372523
Energy: 1.0896964135625002
Energy: 1.3350141404424414
Energy: 1.0896964134343614
Energy: 0.9661678772365028
Energy: 1.089696413230587
Energy: 0.954061041321783
Energy: 1.179507672870462
Energy: 0.9888059915122432
Energy: 1.179507672870462
Energy: 0.954061041321783
Energy: 1.179507672870462
Energy: 0.977007796702814
Energy: 1.207659454004926
Energy: 1.1203455946676106
Energy: 1.2076594540034271
Energy: 0.9770077967020645
Energy: 1.207659454004926

minimum gb energy = 0.9503371897684908 eV
minimum distance =  2.21825762436346 Angstroms
sigma value = 43


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

Energy: 1.5305319522845313
Energy: 1.3495236018653536
Energy: 1.4607532051377814
Energy: 1.3495236018662744
Energy: 1.5305319522836107
Energy: 1.3495236018662744
Energy: 1.6755153923920385
Energy: 1.078014327577797
Energy: 1.0402288523315013
Energy: 1.078014327577797
Energy: 1.6755153923920385
Energy: 1.0780143275768763
Energy: 1.0934958901858085
Energy: 1.3193451941391052
Energy: 1.233176439781123
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Energy: 1.0934958901848877
Energy: 1.319345194140026
Energy: 1.2159524202125416
Energy: 1.039287100454947
Energy: 1.0407700991579494
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Energy: 1.2159524202116212
Energy: 1.039287100454947
Energy: 1.0481795968022134
Energy: 1.3239751568153824
Energy: 1.0236826182179208
Energy: 1.3239751568144618
Energy: 1.0481795968012926
Energy: 1.3239751568153824
Energy: 1.023710113632242
Energy: 1.2970309664544777
Energy: 1.0332473071293553
Energy: 1.2970309664553985
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Energy: 1.2970309664553985
Energy: 1.0330152488609425
Energy: 1.1832310783253346
Energy: 1.2360290743374658
Energy: 1.1832310783253346
Energy: 1.0330152488609425
Energy: 1.1832310783271758
Energy: 1.0584174358359106
Energy: 1.2900921878436118
Energy: 1.074370940674904
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Energy: 1.0584174358359106
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Energy: 1.0428301906529376
Energy: 1.1929127270308475
Energy: 1.6764450459174896
Energy: 1.1929127270299267
Energy: 1.042830190652017
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Energy: 1.3128054955600352
Energy: 1.438233485127323
Energy: 1.312805495560956
Energy: 1.033464369490867
Energy: 1.312805495560956
Energy: 1.0330035723720332
Energy: 1.3271775268963293
Energy: 1.4051640835374886
Energy: 1.3271775268954082
Energy: 1.0330035723720332
Energy: 1.3271775268954082
Energy: 1.0406537532386155
Energy: 1.2904635066197572
Energy: 1.074278251659496
Energy: 1.2904635066188364
Energy: 1.0406537532395363
Energy: 1.2904635066188364
Energy: 1.043176539612617
Energy: 1.024747165841602
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Energy: 1.0316247280396067
Energy: 1.313662823251956
Energy: 1.033352509911429
Energy: 1.3136628232528769
Energy: 1.0316247280396067
Energy: 1.3136628232528769
Energy: 1.0331625337319092
Energy: 1.2969058114828487
Energy: 1.0236757014726119
Energy: 1.2969058114828487
Energy: 1.0331625337319092
Energy: 1.2969058114828487
Energy: 1.4045870689339097
Energy: 1.1759684431943267
Energy: 1.040909376016199
Energy: 1.1759684431943267
Energy: 1.4045870689339097
Energy: 1.175968443196168
Energy: 1.4055601506629736
Energy: 1.2901138323868473
Energy: 1.4401296473271608
Energy: 1.2901138323859267
Energy: 1.4055601506629736
Energy: 1.2901138323859267
Energy: 1.4380585382969944
Energy: 1.3216029725704563
Energy: 1.0334119363565584
Energy: 1.3216029725686151
Energy: 1.4380585382969944
Energy: 1.321602972569536
Energy: 1.4388944666632397
Energy: 1.3229008194514185
Energy: 1.0337817993266458
Energy: 1.3229008194514185
Energy: 1.4388944666632397
Energy: 1.3229008194514185
Energy: 1.4046230493508338
Energy: 1.3385351648121275
Energy: 1.0325940896438444
Energy: 1.3385351648121275
Energy: 1.4046230493508338
Energy: 1.3385351648121275
Energy: 1.4055268439577027
Energy: 1.3561418912441316
Energy: 1.0325482575966665
Energy: 1.3561418912432108
Energy: 1.4055268439577027
Energy: 1.3561418912432108
Energy: 1.031642134999931
Energy: 1.297174778547721
Energy: 1.0251457139720774
Energy: 1.2971747785486416
Energy: 1.031642134999931
Energy: 1.2971747785486416
Energy: 1.0331517076733598
Energy: 1.3131481820851578
Energy: 1.0319234555627335
Energy: 1.3131481820851578
Energy: 1.0331517076733598
Energy: 1.3131481820851578
Energy: 1.0409987241850007
Energy: 1.3227682540548686
Energy: 1.0313198181556715
Energy: 1.3227682540548686
Energy: 1.0409987241850007
Energy: 1.3227682540548686
Energy: 1.0430736351617766
Energy: 1.3561801304112324
Energy: 1.0762751401569142
Energy: 1.3561801304112324
Energy: 1.0430736351617766
Energy: 1.3561801304112324
Energy: 1.0338363985886527
Energy: 1.3256755066200678
Energy: 1.4047870960128168
Energy: 1.3256755066200678
Energy: 1.0338363985886527
Energy: 1.3256755066200678
Energy: 1.0332860747264614
Energy: 1.323240035967901
Energy: 1.4381423440412306
Energy: 1.323240035967901
Energy: 1.0332860747264614
Energy: 1.323240035967901
Energy: 1.0437929750788364
Energy: 1.3284227440358196
Energy: 1.2960970096643056
Energy: 1.3284227440358196
Energy: 1.0437929750779154
Energy: 1.3284227440358196
Energy: 1.0605456683239463
Energy: 1.2899795256895012
Energy: 1.0762670519651658
Energy: 1.2899795256895012
Energy: 1.0605456683239463
Energy: 1.2899795256895012
Energy: 1.0335562727745597
Energy: 1.1775640952650979
Energy: 1.2249248857305168
Energy: 1.1775640952650979
Energy: 1.0335562727745597
Energy: 1.1775640952650979
Energy: 1.0249707721084853
Energy: 1.2973260544119054
Energy: 1.0316518485143285
Energy: 1.2973260544119054
Energy: 1.0249707721084853
Energy: 1.2973260544119054

minimum gb energy = 1.0236757014726119 eV
minimum distance =  2.23091790693689 Angstroms
sigma value = 57


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

Energy: 1.2070464835083545
Energy: 1.4583189061111974
Energy: 1.584273201271951
Energy: 1.4583189061123893
Energy: 1.2070464835083545
Energy: 1.4583189061123893
Energy: 1.4097636620652567
Energy: 1.2019366856301295
Energy: 1.1206178113898462
Energy: 1.2019366856301295
Energy: 1.4097636620640646
Energy: 1.2019366856301295
Energy: 1.1366484689197942
Energy: 1.4483178332019249
Energy: 1.3312478489350297
Energy: 1.4483178332031168
Energy: 1.1366484689197942
Energy: 1.4483178332031168
Energy: 1.1440365920973639
Energy: 1.134333504766321
Energy: 1.1240627397869822
Energy: 1.134333504766321
Energy: 1.1440365920973639
Energy: 1.1343335047675132
Energy: 1.1203451705926344
Energy: 1.1477311864911066
Energy: 1.126311211486367
Energy: 1.1477311864899147
Energy: 1.1203451705926344
Energy: 1.1477311864899147
Energy: 1.1539654901521668
Energy: 1.4350761019287257
Energy: 1.1241960166711682
Energy: 1.4350761019275338
Energy: 1.1539654901521668
Energy: 1.4350761019275338
Energy: 1.134453436509925
Energy: 1.3163938580096228
Energy: 1.4092350543615142
Energy: 1.3163938580096228
Energy: 1.1344534365110899
Energy: 1.3163938580096228
Energy: 1.1324642373633176
Energy: 1.4451209871221378
Energy: 1.185969655187046
Energy: 1.4451209871221378
Energy: 1.1324642373633176
Energy: 1.4451209871221378
Energy: 1.120629728802195
Energy: 1.1975290028326875
Energy: 1.4043455530857365
Energy: 1.1975290028350716
Energy: 1.120629728802195
Energy: 1.1975290028362637
Energy: 1.1397899620707492
Energy: 1.4343898607820598
Energy: 1.1241700222585733
Energy: 1.4343898607832517
Energy: 1.1397899620707492
Energy: 1.4343898607832517
Energy: 1.133957044080024
Energy: 1.1324862531991946
Energy: 1.1260948124906918
Energy: 1.1324862532003865
Energy: 1.133957044080024
Energy: 1.1324862532003865
Energy: 1.1209924712145005
Energy: 1.3066656851298346
Energy: 1.1239934924287132
Energy: 1.3066656851298346
Energy: 1.1209924712145005
Energy: 1.3066656851286427
Energy: 1.1208356512054125
Energy: 1.4350650628735546
Energy: 1.1798945888661072
Energy: 1.4350650628735546
Energy: 1.1208356512054125
Energy: 1.4350650628735546
Energy: 1.3923204529500521
Energy: 1.3034792185588473
Energy: 1.130966993891273
Energy: 1.3034792185588473
Energy: 1.3923204529500521
Energy: 1.3034792185588473
Energy: 1.6475987621942403
Energy: 1.4420224002354178
Energy: 1.1314414495750742
Energy: 1.4420224002366098
Energy: 1.6475987621942403
Energy: 1.4420224002366098
Energy: 1.1212323707940222
Energy: 1.4665025663527849
Energy: 1.1208606515043955
Energy: 1.4665025663527849
Energy: 1.1212323707940222
Energy: 1.4665025663527849
Energy: 1.1210961162195576
Energy: 1.3163594889621097
Energy: 1.1333052501216094
Energy: 1.3163594889609178
Energy: 1.1210961162195576
Energy: 1.3163594889609178
Energy: 1.1321428346006372
Energy: 1.3301622037561964
Energy: 1.132017729415046
Energy: 1.3301622037561964
Energy: 1.1321428346006372
Energy: 1.3301622037585807
Energy: 1.133287960002692
Energy: 1.3167642007419846
Energy: 1.1211177590447556
Energy: 1.3167642007431766
Energy: 1.133287960002692
Energy: 1.3167642007431766
Energy: 1.1207796210475713
Energy: 1.4666822875374539
Energy: 1.1214832459769533
Energy: 1.4666822875374539
Energy: 1.1207796210475713
Energy: 1.4666822875374539
Energy: 1.1318877085993118
Energy: 1.4421699474540304
Energy: 1.6475814805461184
Energy: 1.4421699474540304
Energy: 1.1318877085993118
Energy: 1.4421699474540304
Energy: 1.1312692311079466
Energy: 1.3137273581852633
Energy: 1.3925315041141848
Energy: 1.3137273581840714
Energy: 1.1312692311091386
Energy: 1.3137273581852633
Energy: 1.15102817058379
Energy: 1.4352178391883537
Energy: 1.1207324655264428
Energy: 1.4352178391883537
Energy: 1.151028170584982
Energy: 1.4352178391883537
Energy: 1.1239943848057803
Energy: 1.306291459305849
Energy: 1.1209913934009237
Energy: 1.3062914593046568
Energy: 1.1239943848045881
Energy: 1.3062914593046568

minimum gb energy = 1.1203451705926344 eV
minimum distance =  2.22246181399636 Angstroms
sigma value = 17


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

Energy: 1.507285089381786
Energy: 1.2794821367983087
Energy: 1.7480972050085906
Energy: 1.2794821367983087
Energy: 1.507285089381786
Energy: 1.2794821367999945
Energy: 1.4837105539944588
Energy: 1.2362586146618895
Energy: 1.2355483397417364
Energy: 1.2362586146635755
Energy: 1.4837105539944588
Energy: 1.2362586146635755
Energy: 1.4796876824677572
Energy: 1.4183475496658575
Energy: 1.6450657269632178
Energy: 1.4183475496658575
Energy: 1.4796876824677572
Energy: 1.4183475496658575
Energy: 1.2678258378223197
Energy: 1.4058415668006874
Energy: 1.4543220496769174
Energy: 1.4058415668006874
Energy: 1.2678258378223197
Energy: 1.4058415668006874
Energy: 1.2491506034889548
Energy: 1.2417566187744122
Energy: 1.2486807413140388
Energy: 1.2417566188216165
Energy: 1.2491506034889548
Energy: 1.2417566186143312
Energy: 1.2447666180487946
Energy: 1.2414174613670805
Energy: 1.2253498087926056
Energy: 1.2414174613687665
Energy: 1.2447666180487946
Energy: 1.2414174613687665
Energy: 1.2499860202689723
Energy: 1.4453224316494195
Energy: 1.4871944833939086
Energy: 1.4453224316460478
Energy: 1.249986020270658
Energy: 1.4453224316511053
Energy: 1.4474044034695905
Energy: 1.4754194059659702
Energy: 1.4543839786375403
Energy: 1.4754194059642842
Energy: 1.4474044034712763
Energy: 1.4754194059659702
Energy: 1.4653170358580545
Energy: 1.4495191419131543
Energy: 1.3525305656387911
Energy: 1.4495191419114686
Energy: 1.4653170358580545
Energy: 1.4495191419114686
Energy: 1.4907326311274502
Energy: 1.2345785241079954
Energy: 1.2373250277566663
Energy: 1.2345785241096814
Energy: 1.4907326311274502
Energy: 1.2345785241096814
Energy: 1.4919820712059637
Energy: 1.4247663673952984
Energy: 1.2588265163914136
Energy: 1.4247663673952984
Energy: 1.4919820712059637
Energy: 1.4247663674357212
Energy: 1.4593414152701631
Energy: 1.471243594575729
Energy: 1.2338476598459973
Energy: 1.471243594574043
Energy: 1.4593414152701631
Energy: 1.471243594575729
Energy: 1.4525686684575787
Energy: 1.4574891680202509
Energy: 1.450253192183324
Energy: 1.4574891680202509
Energy: 1.452568668455893
Energy: 1.4574891680202509
Energy: 1.2319943960487982
Energy: 1.4070827385035327
Energy: 1.4505063773630764
Energy: 1.4070827385035327
Energy: 1.2319943960504844
Energy: 1.4070827385035327
Energy: 1.2371054717764838
Energy: 1.5612189762031372
Energy: 1.2254403118586337
Energy: 1.5612189762014514
Energy: 1.2371054717764838
Energy: 1.5612189762031372
Energy: 1.2420013719870542
Energy: 1.3838386376904859
Energy: 1.2271467984019897
Energy: 1.3838386376904859
Energy: 1.2420013719870542
Energy: 1.3838386376921719
Energy: 1.2456719228494761
Energy: 1.449802273981402
Energy: 1.4597171505578852
Energy: 1.449802273981402
Energy: 1.2456719228494761
Energy: 1.449802273981402

minimum gb energy = 1.2253498087926056 eV
minimum distance =  2.23949354198141 Angstroms
sigma value = 17


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

Energy: 1.6841365564796695
Energy: 1.6711700917814454
Energy: 1.745685349180453
Energy: 1.6711700917807941
Energy: 1.6841365564926605
Energy: 1.6711700917807941
Energy: 1.5046268320294252
Energy: 1.2911487484421296
Energy: 1.2761553450464163
Energy: 1.2911487484408275
Energy: 1.504626832032029
Energy: 1.2911487484408275
Energy: 1.2823984263653287
Energy: 1.3605300488698697
Energy: 1.3037834416181635
Energy: 1.3605300488718228
Energy: 1.2823984263659798
Energy: 1.3605300488711718
Energy: 1.311666640789829
Energy: 1.5476666842714963
Energy: 1.3234749476113687
Energy: 1.5476666842714963
Energy: 1.311666640791131
Energy: 1.5476666842721474
Energy: 1.284729808216767
Energy: 1.3416104893487921
Energy: 1.5187747163291108
Energy: 1.3416104893474903
Energy: 1.2847298082161158
Energy: 1.3416104893546514
Energy: 1.3403265547401628
Energy: 1.5567306665687073
Energy: 1.340858082885284
Energy: 1.5567306665687073
Energy: 1.3403265547395118
Energy: 1.5567306665687073
Energy: 1.2752709914036242
Energy: 1.3448044158749084
Energy: 1.508558837628087
Energy: 1.3448044158840227
Energy: 1.2752709914042752
Energy: 1.3448044158801165
Energy: 1.6009669693831083
Energy: 1.421898953274091
Energy: 1.2787406038618918
Energy: 1.421898953272789
Energy: 1.6009669693831083
Energy: 1.421898953272789
Energy: 1.3505647158100875
Energy: 1.6218091605339489
Energy: 1.3015185182646658
Energy: 1.6218091605326468
Energy: 1.3505647158100875
Energy: 1.6218091605319958
Energy: 1.6011618990713907
Energy: 1.3415775303264796
Energy: 1.2757292755893823
Energy: 1.3415775303258288
Energy: 1.6011618990720415
Energy: 1.3415775303245268
Energy: 1.3199730859673724
Energy: 1.6168295285924676
Energy: 1.3220819218733098
Energy: 1.6168295285957226
Energy: 1.3199730859673724
Energy: 1.6168295285950716
Energy: 1.297154186024204
Energy: 1.565061734013748
Energy: 1.2753888758853305
Energy: 1.565061734013097
Energy: 1.297154186023553
Energy: 1.565061734013748
Energy: 1.2795689237595929
Energy: 1.419498620205088
Energy: 1.665053568128273
Energy: 1.4194986202057391
Energy: 1.279568923760244
Energy: 1.419498620203786
Energy: 1.289920275924181
Energy: 1.5311967290357005
Energy: 1.6680905621749316
Energy: 1.5311967290343984
Energy: 1.289920275924181
Energy: 1.5311967290337474
Energy: 1.2895703798281177
Energy: 1.6406827114780558
Energy: 1.3248430432088225
Energy: 1.6406827114774047
Energy: 1.2895703798281177
Energy: 1.6406827114774047
Energy: 1.3216530005143572
Energy: 1.6140597738834577
Energy: 1.2754703228212345
Energy: 1.6140597738841087
Energy: 1.3216530005143572
Energy: 1.6140597738834577
Energy: 1.3166222653043695
Energy: 1.6428397199068272
Energy: 1.2921357485592062
Energy: 1.6428397199061762
Energy: 1.3166222653043695
Energy: 1.6428397199061762
Energy: 1.6557100723989635
Energy: 1.515228643924715
Energy: 1.2999283355435372
Energy: 1.5152286439240636
Energy: 1.6557100723989635
Energy: 1.5152286439240636
Energy: 1.652635946211738
Energy: 1.5171211805794937
Energy: 1.2756371410857694
Energy: 1.5171211805801448
Energy: 1.652635946211738
Energy: 1.5171211805801448
Energy: 1.2787249683441042
Energy: 1.633173470178647
Energy: 1.2790858897481652
Energy: 1.6331734701799487
Energy: 1.2787249683447555
Energy: 1.6331734701805998
Energy: 1.2754205968933874
Energy: 1.5168116714205009
Energy: 1.6523495049935892
Energy: 1.5168116714218032
Energy: 1.2754205968933874
Energy: 1.516811671419199
Energy: 1.2979178644457774
Energy: 1.5132907734327674
Energy: 1.6556208741911935
Energy: 1.5132907734321164
Energy: 1.2979178644457774
Energy: 1.5132907734327674
Energy: 1.2924817847556955
Energy: 1.6430826652844004
Energy: 1.316670359597305
Energy: 1.6430826652837494
Energy: 1.2924817847556955
Energy: 1.6430826652830983
Energy: 1.2755360529907507
Energy: 1.6144563827595737
Energy: 1.322345098175341
Energy: 1.6144563827602247
Energy: 1.2755360529914017
Energy: 1.6144563827602247
Energy: 1.322319268705638
Energy: 1.64083862541472
Energy: 1.2895196217448706
Energy: 1.640838625415371
Energy: 1.322319268705638
Energy: 1.64083862541472
Energy: 1.6684288013035502
Energy: 1.5298061809903425
Energy: 1.2898827439998792
Energy: 1.5298061810795027
Energy: 1.6684288013061543
Energy: 1.529806180780802
Energy: 1.6654112310656632
Energy: 1.418248331505611
Energy: 1.2795709095393377
Energy: 1.418248331501705
Energy: 1.6654112310656632
Energy: 1.4182483315114702
Energy: 1.275406471111911
Energy: 1.5580619890568221
Energy: 1.2977447618631752
Energy: 1.558061989058124
Energy: 1.2754064711125621
Energy: 1.558061989057473
Energy: 1.3233468674452293
Energy: 1.616736889214284
Energy: 1.3198910568179525
Energy: 1.616736889217539
Energy: 1.3233468674452293
Energy: 1.616736889212982
Energy: 1.2756607151076171
Energy: 1.3415775303258288
Energy: 1.6012602562227485
Energy: 1.3415775303264796
Energy: 1.2756607151076171
Energy: 1.341577530329084
Energy: 1.295512102002121
Energy: 1.6195295773598846
Energy: 1.3506535736831273
Energy: 1.6195295773605354
Energy: 1.2955121019995168
Energy: 1.6195295773605354
Energy: 1.2787829813577423
Energy: 1.4163195925504621
Energy: 1.6011426310049015
Energy: 1.41631959254916
Energy: 1.2787829813577423
Energy: 1.4163195925504621
Energy: 1.5083120315023626
Energy: 1.3390742865678367
Energy: 1.275526416698282
Energy: 1.3390742863999319
Energy: 1.5083120315017116
Energy: 1.3390742866921224
Energy: 1.3436612905350662
Energy: 1.5579750357286577
Energy: 1.339968500754453
Energy: 1.5579750357332147
Energy: 1.3436612905337644
Energy: 1.5579750357319126
Energy: 1.5185519498169804
Energy: 1.3416104893553022
Energy: 1.2805968570729598
Energy: 1.341610489352698
Energy: 1.5185519498150273
Energy: 1.3416104893513965
Energy: 1.324655439313804
Energy: 1.5659138306727793
Energy: 1.3111385435443592
Energy: 1.5659138306727793
Energy: 1.324655439313804
Energy: 1.5659138306727793
Energy: 1.300380075246887
Energy: 1.3391205586561419
Energy: 1.2824087655416128
Energy: 1.339120558660699
Energy: 1.3003800752573034
Energy: 1.3391205586554908
Energy: 1.2761162419068226
Energy: 1.2913861535599975
Energy: 1.5151941923329828
Energy: 1.2913861535593463
Energy: 1.2761162419068226
Energy: 1.2913861535606486
Energy: 1.7456853491811042
Energy: 1.6711700917820964
Energy: 1.6841365565037276
Energy: 1.6711700917827472
Energy: 1.7456853491817552
Energy: 1.6711700917827472
Energy: 1.2761553450483691
Energy: 1.2911487484408275
Energy: 1.504626832031378
Energy: 1.2911487484421296
Energy: 1.2761553450477183
Energy: 1.2911487484414785
Energy: 1.3037834421621812
Energy: 1.3605300488711718
Energy: 1.2823984263653287
Energy: 1.360530048870521
Energy: 1.3037834411587488
Energy: 1.3605300488711718
Energy: 1.3234749476094159
Energy: 1.5476666842708455
Energy: 1.31166664079048
Energy: 1.5476666842708455
Energy: 1.323474947610718
Energy: 1.5476666842701945
Energy: 1.5187747163304128
Energy: 1.3416104893500944
Energy: 1.2847298082161158
Energy: 1.3416104893494434
Energy: 1.5187747163291108
Energy: 1.3416104893474903

minimum gb energy = 1.2752709914036242 eV
minimum distance =  2.20471061728922 Angstroms
sigma value = 57


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

Energy: 1.4044115822188135
Energy: 1.6415977216940627
Energy: 1.732734633722635
Energy: 1.6415977216972428
Energy: 1.4044115822188135
Energy: 1.6415977216972428
Energy: 1.3592866416937552
Energy: 1.2959977345611853
Energy: 1.2953107599009768
Energy: 1.2959977345611853
Energy: 1.359286641692695
Energy: 1.2959977345569451
Energy: 1.266266433559608
Energy: 1.4091199778601091
Energy: 1.5837219598263323
Energy: 1.4091199778823695
Energy: 1.2662664335606684
Energy: 1.4091199778463288
Energy: 1.3780493739393558
Energy: 1.358418842535151
Energy: 1.3531710844566396
Energy: 1.3584188425340908
Energy: 1.3780493739435957
Energy: 1.358418842539391
Energy: 1.269857421674256
Energy: 1.409242965086278
Energy: 1.3806245844797143
Energy: 1.409242965085218
Energy: 1.269857421674256
Energy: 1.409242965085218
Energy: 1.368440469363296
Energy: 1.3660458858269797
Energy: 1.3497471364104365
Energy: 1.3660458858312197
Energy: 1.368440469362236
Energy: 1.3660458858375797
Energy: 1.269705329827845
Energy: 1.4530663750683075
Energy: 1.3180908341849225
Energy: 1.4530663750683075
Energy: 1.2697053298289047
Energy: 1.4530663750661874
Energy: 1.627056170915747
Energy: 1.3324457800474254
Energy: 1.2952419756438913
Energy: 1.3324457803939074
Energy: 1.627056170909387
Energy: 1.332445779432903
Energy: 1.3862130000482524
Energy: 1.6774124330060738
Energy: 1.3137086294597375
Energy: 1.6774124330124338
Energy: 1.3862130000493125
Energy: 1.6774124330124338
Energy: 1.356482823232709
Energy: 1.302442395603905
Energy: 1.2988747345718674
Energy: 1.3024423956102653
Energy: 1.356482823232709
Energy: 1.3024423956081452
Energy: 1.2695117549415957
Energy: 1.4756222477961027
Energy: 1.3530859032168092
Energy: 1.4756222479508174
Energy: 1.2695117549415957
Energy: 1.475622247346847
Energy: 1.3648292659680954
Energy: 1.3490304489525133
Energy: 1.3425372345632038
Energy: 1.3490304489588736
Energy: 1.3648292659680954
Energy: 1.3490304489588736
Energy: 1.2747502225785763
Energy: 1.5154338167941035
Energy: 1.3555462344616072
Energy: 1.5154338168343844
Energy: 1.2747502225785763
Energy: 1.515433816817424
Energy: 1.3577557734188643
Energy: 1.4115488068157036
Energy: 1.3430072896607792
Energy: 1.4115488068167639
Energy: 1.3577557734178045
Energy: 1.4115488068167639
Energy: 1.2741553379176487
Energy: 1.365615321484651
Energy: 1.3146527950241396
Energy: 1.3656153214867708
Energy: 1.2741553379165889
Energy: 1.365615321499491
Energy: 1.6239947676573308
Energy: 1.559712243352446
Energy: 1.2983810005726655
Energy: 1.559712243359866
Energy: 1.6239947676605109
Energy: 1.559712243357746
Energy: 1.3860850707241374
Energy: 1.529634017446785
Energy: 1.3099499691221042
Energy: 1.5296340167114206
Energy: 1.3860850707241374
Energy: 1.5296340167601816
Energy: 1.356430344204889
Energy: 1.3810098324594364
Energy: 1.305676621113983
Energy: 1.3810098324679165
Energy: 1.356430344204889
Energy: 1.381009832456256
Energy: 1.2743386606244584
Energy: 1.5190506209162669
Energy: 1.3420651423001384
Energy: 1.5190506209205068
Energy: 1.2743386606244584
Energy: 1.5190506209205068
Energy: 1.3640560892925881
Energy: 1.5286641651705375
Energy: 1.3401615728616911
Energy: 1.5286641651768975
Energy: 1.3640560892925881
Energy: 1.5286641651726574
Energy: 1.2837046117484148
Energy: 1.525035692481178
Energy: 1.342781152273847
Energy: 1.5250356924864783
Energy: 1.2837046117484148
Energy: 1.525035692481178
Energy: 1.2676591517769122
Energy: 1.5114531114282759
Energy: 1.340836040011604
Energy: 1.5114531114197958
Energy: 1.2676591517779723
Energy: 1.5114531114314558
Energy: 1.2670469667245565
Energy: 1.3771163015440058
Energy: 1.309669229283765
Energy: 1.3771163014009513
Energy: 1.2670469667266768
Energy: 1.3771163015895385
Energy: 1.3763372593014767
Energy: 1.5346927206565903
Energy: 1.305700850996006
Energy: 1.5346927206512904
Energy: 1.3763372593014767
Energy: 1.5346927206576504
Energy: 1.3783593272470782
Energy: 1.5281890983615913
Energy: 1.3008473012568809
Energy: 1.5281890983489193
Energy: 1.3783593272491983
Energy: 1.5281890983478592
Energy: 1.267214160804814
Energy: 1.435380619543288
Energy: 1.3110007825339094
Energy: 1.4353806195507084
Energy: 1.267214160805874
Energy: 1.4353806195507084
Energy: 1.2680335485542458
Energy: 1.5190730784237112
Energy: 1.3401236972454975
Energy: 1.519073078425831
Energy: 1.2680335485531857
Energy: 1.5190730784268913

minimum gb energy = 1.266266433559608 eV
minimum distance =  2.23847867720656 Angstroms
sigma value = 43


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

Energy: 1.445129219178429
Energy: 1.6319521845487983
Energy: 1.777147391720822
Energy: 1.6319521845518878
Energy: 1.4451292191792016
Energy: 1.6319521845511153
Energy: 1.3778434950230316
Energy: 1.346416736897348
Energy: 1.3114718550018338
Energy: 1.3464167368988926
Energy: 1.3778434950230316
Energy: 1.3464167369012099
Energy: 1.3140789648331297
Energy: 1.4274257165732585
Energy: 1.4663037055558457
Energy: 1.4274257167029407
Energy: 1.3140789648331297
Energy: 1.4274257176972518
Energy: 1.4287455641867137
Energy: 1.6017871261393217
Energy: 1.394842245173414
Energy: 1.6017871261416388
Energy: 1.4287455641867137
Energy: 1.6017871261385495
Energy: 1.314980450801036
Energy: 1.3925029323036051
Energy: 1.4028376430147633
Energy: 1.3925029322557205
Energy: 1.314980450800264
Energy: 1.3925029322974265
Energy: 1.3964889223583616
Energy: 1.4088750614792593
Energy: 1.3118267191531416
Energy: 1.408875061485438
Energy: 1.396488922359134
Energy: 1.4088750614846655
Energy: 1.3131029158887648
Energy: 1.4040961595486026
Energy: 1.3475155047111118
Energy: 1.404096159544741
Energy: 1.3131029158887648
Energy: 1.4040961595555534
Energy: 1.421305218711139
Energy: 1.3916102531235552
Energy: 1.3152895840851502
Energy: 1.391610253120466
Energy: 1.421305218713456
Energy: 1.3916102531266448
Energy: 1.393667505661016
Energy: 1.6021169950415879
Energy: 1.4099374145146173
Energy: 1.6021169950415879
Energy: 1.393667505661016
Energy: 1.6021169950415879
Energy: 1.517791929353713
Energy: 1.4118893186326211
Energy: 1.3142831115625773
Energy: 1.4118893186472954
Energy: 1.51779192935603
Energy: 1.4118893187167707
Energy: 1.3127967544678603
Energy: 1.3658997578263072
Energy: 1.6087240032137584
Energy: 1.36589975782399
Energy: 1.3127967544678603
Energy: 1.3658997578247625
Energy: 1.3450592983088911
Energy: 1.574839113039941
Energy: 1.4334331680805652
Energy: 1.574839113042258
Energy: 1.3450592983081189
Energy: 1.574839113039941
Energy: 1.3167669010535126
Energy: 1.3424240386131698
Energy: 1.4004848990236487
Energy: 1.342424038610853
Energy: 1.3167669010535126
Energy: 1.3424240386147148
Energy: 1.3992834268135368
Energy: 1.4705867640602757
Energy: 1.3145187455042786
Energy: 1.4705867640618202
Energy: 1.399283426814309
Energy: 1.4705867640618202
Energy: 1.388739344640486
Energy: 1.6009542151510754
Energy: 1.3449587408555148
Energy: 1.6009542151518477
Energy: 1.3887393446412584
Energy: 1.60095421515262
Energy: 1.3924999619376726
Energy: 1.5290382931148128
Energy: 1.3186366600594246
Energy: 1.5290382931163575
Energy: 1.3924999619376726
Energy: 1.5290382931140405
Energy: 1.317835325404143
Energy: 1.4823449892704754
Energy: 1.3979802656917604
Energy: 1.4823449884444633
Energy: 1.3178353254033708
Energy: 1.482344988823504
Energy: 1.3638036464735297
Energy: 1.3991558510812474
Energy: 1.3114898969124313
Energy: 1.399155850879001
Energy: 1.3638036464735297
Energy: 1.3991558505709798
Energy: 1.3318248185390653
Energy: 1.4548190121840048
Energy: 1.389881103832402
Energy: 1.4548190121840048
Energy: 1.3318248185398378
Energy: 1.4548190121832323
Energy: 1.3229119072002653
Energy: 1.5657489116538799
Energy: 1.388889185743641
Energy: 1.5657489116531074
Energy: 1.3229119072002653
Energy: 1.5657489116538799
Energy: 1.320778014319167
Energy: 1.418735664996245
Energy: 1.3485535475369956
Energy: 1.4187356650093745
Energy: 1.320778014319167
Energy: 1.41873566498466
Energy: 1.7078501077024582
Energy: 1.4753339985909724
Energy: 1.319212362250632
Energy: 1.4753339985925171
Energy: 1.7078501077016859
Energy: 1.4753339985917446
Energy: 1.6092233258118183
Energy: 1.5242421802983306
Energy: 1.3463599137123865
Energy: 1.5242421802967863
Energy: 1.6092233258125905
Energy: 1.5242421802975583
Energy: 1.3259035741639644
Energy: 1.5980406159041662
Energy: 1.3446097744111185
Energy: 1.5980406159041662
Energy: 1.3259035741639644
Energy: 1.5980406159026217
Energy: 1.3203080097142832
Energy: 1.5660714177754647
Energy: 1.3985171783490784
Energy: 1.5660714177754647
Energy: 1.3203080097142832
Energy: 1.5660714177754647
Energy: 1.351006959575847
Energy: 1.54873921757237
Energy: 1.3943478131640399
Energy: 1.548739217573142
Energy: 1.351006959575847
Energy: 1.5487392175715975
Energy: 1.3323124231481585
Energy: 1.5227946487077386
Energy: 1.3889459272606777
Energy: 1.5227946487061943
Energy: 1.3323124231481585
Energy: 1.5227946487085111
Energy: 1.3852984395484171
Energy: 1.7121123628769033
Energy: 1.3852261126812457
Energy: 1.7121123628753585
Energy: 1.3852984395484171
Energy: 1.7121123628753585
Energy: 1.3887326142366618
Energy: 1.5235389461869022
Energy: 1.3606713140948028
Energy: 1.5235389463382096
Energy: 1.3887326142374343
Energy: 1.5235389465296785
Energy: 1.39444499051281
Energy: 1.5496049372811598
Energy: 1.3514865850273028
Energy: 1.5496049372803873
Energy: 1.39444499051281
Energy: 1.5496049372796152
Energy: 1.3973126070470918
Energy: 1.5661099431881835
Energy: 1.320008498162961
Energy: 1.5661099431881835
Energy: 1.3973126070478643
Energy: 1.5661099431889556
Energy: 1.344573063018359
Energy: 1.4158053274423383
Energy: 1.3267153804230813
Energy: 1.4158053285663315
Energy: 1.344573063018359
Energy: 1.4158053063622988
Energy: 1.3464284954832582
Energy: 1.5152324473224639
Energy: 1.8041316851620925
Energy: 1.5152324473224639
Energy: 1.3464284954840302
Energy: 1.515232447324781
Energy: 1.3191825736656004
Energy: 1.467373693916948
Energy: 1.708209069295267
Energy: 1.467373693916948
Energy: 1.3191825736663727
Energy: 1.4673736939184925
Energy: 1.3487718673284963
Energy: 1.4133718862654514
Energy: 1.3207526572363337
Energy: 1.4133718876341692
Energy: 1.3487718673284963
Energy: 1.4133718844690002
Energy: 1.3887593031992254
Energy: 1.566475591395427
Energy: 1.3225256547130932
Energy: 1.5664755914178246
Energy: 1.3887593031992254
Energy: 1.5664755913969715

minimum gb energy = 1.3114718550018338 eV
minimum distance =  2.23698829272434 Angstroms
sigma value = 81


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

Energy: 1.3578204024161828
Energy: 1.3605554552691732
Energy: 2.1851397444489487
Energy: 1.3605554552700438
Energy: 1.3578204024167635
Energy: 1.360555455270592
Energy: 1.549138692979621
Energy: 1.3605218885369097
Energy: 1.3578423307646745
Energy: 1.360521888536329
Energy: 1.549138692979073
Energy: 1.3605218885369097
Energy: 1.3578058689420343
Energy: 1.3608296826009292
Energy: 1.5270838283887382
Energy: 1.3608296826006712
Energy: 1.357805868941776
Energy: 1.3608296826006712
Energy: 2.185139744449239
Energy: 1.3605554552708823
Energy: 1.3578204024164733
Energy: 1.360555455270592
Energy: 2.185139744449239
Energy: 1.3605554552708823
Energy: 1.3578423307643843
Energy: 1.360521888536329
Energy: 1.549138692979073
Energy: 1.360521888536329
Energy: 1.3578423307643843
Energy: 1.360521888536329
Energy: 1.6757766058882337
Energy: 1.3608296826017998
Energy: 1.3578058689420343
Energy: 1.3608296826006712
Energy: 1.6757766058891046
Energy: 1.3608296826012192
Energy: 1.3578204024164733
Energy: 1.360555455270592
Energy: 1.6266033675375104
Energy: 1.360555455270334
Energy: 1.3578204024161828
Energy: 1.3605554552700438
Energy: 1.5491386929787825
Energy: 1.3605218885366193
Energy: 1.3578423307646745
Energy: 1.3605218885369097
Energy: 1.549138692979073
Energy: 1.3605218885369097
Energy: 1.3578058689420343
Energy: 1.3608296826009292
Energy: 1.6757766058891046
Energy: 1.3608296826012192
Energy: 1.3578058689420343
Energy: 1.3608296826012192
Energy: 1.6913917873037965
Energy: 1.360555455270334
Energy: 1.3578204024164733
Energy: 1.3605554552700438
Energy: 1.6913917873009585
Energy: 1.360555455270334

minimum gb energy = 1.357805868941776 eV
minimum distance =  2.23148487218846 Angstroms
sigma value = 3


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

Energy: 1.664471433273697
Energy: 1.6782845976834218
Energy: 1.9278107867231054
Energy: 1.6782845976859309
Energy: 1.6644714332719983
Energy: 1.67828459768678
Energy: 1.5528972412342124
Energy: 1.3618034032373487
Energy: 1.290745622347654
Energy: 1.3618034032390471
Energy: 1.5528972412342124
Energy: 1.3618034032339517
Energy: 1.3287823741035234
Energy: 1.3481667623187408
Energy: 1.473629939489033
Energy: 1.3481667623195899
Energy: 1.3287823741035234
Energy: 1.3481667623187408
Energy: 1.7075969532759183
Energy: 1.657189547319191
Energy: 1.3471969202072906
Energy: 1.6571895473200404
Energy: 1.7075969532767676
Energy: 1.6571895473251355
Energy: 1.3348991110249735
Energy: 1.3343297136810568
Energy: 1.6442963682121285
Energy: 1.3343297136827557
Energy: 1.3348991110249735
Energy: 1.3343297136819061
Energy: 1.479523021901707
Energy: 1.3881326784611945
Energy: 1.29005864684971
Energy: 1.3881326784586467
Energy: 1.4795230218983102
Energy: 1.3881326784560992
Energy: 1.3348666425600786
Energy: 1.3342119199018583
Energy: 1.4747718987386338
Energy: 1.3342119199018583
Energy: 1.3348666425600786
Energy: 1.3342119199035567
Energy: 1.330687417514749
Energy: 1.726179797266473
Energy: 1.3444785190549309
Energy: 1.726179797266473
Energy: 1.3306874175138994
Energy: 1.726179797266473
Energy: 1.3297703111282315
Energy: 1.5087628970012266
Energy: 1.610664091587815
Energy: 1.508762897002925
Energy: 1.3297703111273822
Energy: 1.508762897002925
Energy: 1.3285351218615746
Energy: 1.3516639865450042
Energy: 1.292696048188135
Energy: 1.3516639865407583
Energy: 1.3285351218624237
Energy: 1.3516639865407583
Energy: 1.6448813370722053
Energy: 1.5452582160112842
Energy: 1.361668571310316
Energy: 1.5452582160121333
Energy: 1.6448813370722053
Energy: 1.5452582160121333
Energy: 1.6472144961226443
Energy: 1.3116046349438715
Energy: 1.2921986509517425
Energy: 1.3116046349116404
Energy: 1.6472144961234936
Energy: 1.3116046349311334
Energy: 1.3309604030292823
Energy: 1.412174944474345
Energy: 1.2920111807519103
Energy: 1.4121749448919594
Energy: 1.3309604030301314
Energy: 1.4121749447688634
Energy: 1.3292357060464965
Energy: 1.4013652274431885
Energy: 1.34063502324122
Energy: 1.4013652274448871
Energy: 1.3292357060464965
Energy: 1.4013652274440378
Energy: 1.3319551821744424
Energy: 1.3422191727619082
Energy: 1.3406908295818702
Energy: 1.3422191727814397
Energy: 1.3319551821744424
Energy: 1.3422191727687018
Energy: 1.3304898865091048
Energy: 1.3614775115987168
Energy: 1.2941213013704749
Energy: 1.361477511471375
Energy: 1.3304898865091048
Energy: 1.3614775115655977
Energy: 1.331517446314684
Energy: 1.480932468317397
Energy: 1.2940872139255237
Energy: 1.4809324683233414
Energy: 1.331517446314684
Energy: 1.4809324683343807
Energy: 1.329848599277505
Energy: 1.4282078863339542
Energy: 1.3406929149409192
Energy: 1.4282078863331051
Energy: 1.3298485992783544
Energy: 1.4282078863331051
Energy: 1.3290273453604127
Energy: 1.402239440113994
Energy: 1.3411420714004996
Energy: 1.4022394401156923
Energy: 1.3290273453595636
Energy: 1.4022394401156923
Energy: 1.329017997986518
Energy: 1.3438877504564357
Energy: 1.292371656889345
Energy: 1.343887750461531
Energy: 1.3290179979856687
Energy: 1.343887750461531
Energy: 1.6464550017648736
Energy: 1.3165841282808248
Energy: 1.2921773602880522
Energy: 1.3165841282714834
Energy: 1.6464550017657225
Energy: 1.3165841283003177
Energy: 1.6437312957545318
Energy: 1.5498648590109254
Energy: 1.3553381874098904
Energy: 1.5498648589956399
Energy: 1.6437312957536823
Energy: 1.5498648590143222
Energy: 1.3285044091367497
Energy: 1.3535867915074984
Energy: 1.2927157690230155
Energy: 1.3535867915091966
Energy: 1.3285044091359008
Energy: 1.3535867915066488
Energy: 1.3288317055630245
Energy: 1.514945199737682
Energy: 1.610583700181643
Energy: 1.514945199737682
Energy: 1.3288317055638739
Energy: 1.5149451997368326
Energy: 1.3303332890069592
Energy: 1.4292383691033774
Energy: 1.3432849335177037
Energy: 1.4292383691033774
Energy: 1.33033328900611
Energy: 1.4292383691033774
Energy: 1.3335271070696806
Energy: 1.514624026556792
Energy: 1.4246398685476866
Energy: 1.514624027184931
Energy: 1.3335271070696806
Energy: 1.5146240278011813
Energy: 1.3314493122184567
Energy: 1.5447075337685894
Energy: 1.2911663648257412
Energy: 1.5447075337694385
Energy: 1.3314493122176077
Energy: 1.5447075337685894
Energy: 1.3333807055673175
Energy: 1.3938837701079343
Energy: 1.6106980012778938
Energy: 1.3938837701053868
Energy: 1.3333807055673175
Energy: 1.3938837700917994
Energy: 1.4313660047600314
Energy: 1.717085815062806
Energy: 1.3471545838022263
Energy: 1.7170858150619568
Energy: 1.4313660047634282
Energy: 1.71708581505856
Energy: 1.3274750069820747
Energy: 1.351562566637099
Energy: 1.4674810266819267
Energy: 1.3515625666354005
Energy: 1.327475006982924
Energy: 1.3515625666354005
Energy: 1.5530485668577363
Energy: 1.3550354278545556
Energy: 1.2899921292218322
Energy: 1.355035427856254
Energy: 1.5530485668585854
Energy: 1.3550354278596506
Energy: 1.6445199358968379
Energy: 1.7392337303246066
Energy: 1.35860946692659
Energy: 1.7392337303254557
Energy: 1.6445199358662663
Energy: 1.7392337303313614
Energy: 1.5525955192913703
Energy: 1.3603462149439363
Energy: 1.2890011921643005
Energy: 1.3603462149413885
Energy: 1.5525955192922196
Energy: 1.3603462149413885

minimum gb energy = 1.2890011921643005 eV
minimum distance =  2.19480116441845 Angstroms
sigma value = 67


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

Energy: 1.3164454934797787
Energy: 1.7274938617751143
Energy: 1.7612906997925353
Energy: 1.7274938617751143
Energy: 1.3164454934809888
Energy: 1.7274938617751143
Energy: 1.7325067487844277
Energy: 1.2805873385043811
Energy: 1.2681316530184092
Energy: 1.2805873385043811
Energy: 1.7325067487844277
Energy: 1.2805873385068012
Energy: 1.289583373204024
Energy: 1.3916314883343512
Energy: 1.4775384132267266
Energy: 1.3916314883343512
Energy: 1.2895833732052342
Energy: 1.3916314883331415
Energy: 1.6590431877192673
Energy: 1.6482910340655932
Energy: 1.2730839437034567
Energy: 1.6482910340740633
Energy: 1.6590431877228975
Energy: 1.6482910340752732
Energy: 1.2685029681648292
Energy: 1.7510138681075007
Energy: 1.6347091110635878
Energy: 1.7510138681075007
Energy: 1.2685029681648292
Energy: 1.7510138681086558
Energy: 1.2667379124121927
Energy: 1.5417538627755303
Energy: 1.2690169167593939
Energy: 1.5417538627755303
Energy: 1.2667379124121927
Energy: 1.5417538627755303
Energy: 1.2899905849965068
Energy: 1.2818034214813703
Energy: 1.293678701488087
Energy: 1.2818034214825802
Energy: 1.2899905849965068
Energy: 1.2818034214789502
Energy: 1.2882652236082508
Energy: 1.5240500349701622
Energy: 1.6706463211311076
Energy: 1.524050034960482
Energy: 1.2882652236082508
Energy: 1.5240500349689519
Energy: 1.290572849480834
Energy: 1.3108645756242054
Energy: 1.6682814457672832
Energy: 1.3108645756254154
Energy: 1.290572849480834
Energy: 1.3108645756254154
Energy: 1.2916915216513578
Energy: 1.3329496769702525
Energy: 1.2966635237962927
Energy: 1.3329496769859825
Energy: 1.2916915216513578
Energy: 1.3329496770004476
Energy: 1.268858627053282
Energy: 1.4329821530862998
Energy: 1.2952868092097007
Energy: 1.4329821530862998
Energy: 1.268858627054492
Energy: 1.4329821530862998
Energy: 1.2706106211817154
Energy: 1.3229725579964822
Energy: 1.2707614706248924
Energy: 1.3229725579940623
Energy: 1.2706106211829256
Energy: 1.3229725579952722
Energy: 1.2961655787193016
Energy: 1.433858837428553
Energy: 1.2688751440225159
Energy: 1.433858837428553
Energy: 1.2961655787193016
Energy: 1.433858837428553
Energy: 1.2966320837105403
Energy: 1.3311441087663878
Energy: 1.291787821378344
Energy: 1.3311441087748581
Energy: 1.2966320837105403
Energy: 1.3311441087663878
Energy: 1.6688775148467192
Energy: 1.3108107320877156
Energy: 1.2906167424248804
Energy: 1.3108107320889255
Energy: 1.6688775148479293
Energy: 1.3108107320852953
Energy: 1.6719889505109125
Energy: 1.5265470044769938
Energy: 1.2885206250808103
Energy: 1.526547004478204
Energy: 1.6719889505109125
Energy: 1.5265470044769938
Energy: 1.2937393617163386
Energy: 1.2819654196294221
Energy: 1.290143969419535
Energy: 1.2819654196257921
Energy: 1.2937393617163386
Energy: 1.2819654196294221
Energy: 1.2690766504492919
Energy: 1.5414692626420006
Energy: 1.2667900242008048
Energy: 1.5414692626420006
Energy: 1.2690766504505018
Energy: 1.5414692626420006
Energy: 1.6334025046708374
Energy: 1.7491086155038305
Energy: 1.2684645133326728
Energy: 1.7491086155038305
Energy: 1.6334025046720475
Energy: 1.7491086155050404
Energy: 1.273085280245602
Energy: 1.659350164353887
Energy: 1.658621442821399
Energy: 1.6593501643563067
Energy: 1.273085280245602
Energy: 1.6593501643563067
Energy: 1.4893346442242932
Energy: 1.3916314883331415
Energy: 1.2895279753381854
Energy: 1.3916314883343512
Energy: 1.489334643919479
Energy: 1.3916314883307213
Energy: 1.2681500747418364
Energy: 1.2823443611461585
Energy: 1.7324316854902517
Energy: 1.282344361144948
Energy: 1.2681500747418364
Energy: 1.282344361144948
Energy: 1.5362885688927608
Energy: 1.727493861772694
Energy: 1.3164454934809888
Energy: 1.727493861773904
Energy: 1.5362885688963908
Energy: 1.727493861773904

minimum gb energy = 1.2667379124121927 eV
minimum distance =  2.18848100847481 Angstroms
sigma value = 33


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

Energy: 1.5278212723622717
Energy: 1.7694925312809704
Energy: 1.7411281540007382
Energy: 1.769492531281738
Energy: 1.5278212723615041
Energy: 1.7694925312794354
Energy: 1.7090508828022306
Energy: 1.5162858492241584
Energy: 1.2293367172476155
Energy: 1.5162858492233908
Energy: 1.709050884936015
Energy: 1.5162858492241584
Energy: 1.2263225485206837
Energy: 1.3080741379673846
Energy: 1.5720465680240474
Energy: 1.3080741379673846
Energy: 1.2263225485214515
Energy: 1.3080741379673846
Energy: 1.2968654567585867
Energy: 1.3407580899935954
Energy: 1.236557934497511
Energy: 1.3407578954123038
Energy: 1.2968654567593543
Energy: 1.3407579021566047
Energy: 1.4469909912260257
Energy: 1.5300232088191106
Energy: 1.4355325358105953
Energy: 1.5300232088191106
Energy: 1.446990991227561
Energy: 1.5300232088191106
Energy: 1.4484743948499839
Energy: 1.4510274063739976
Energy: 1.2304568578333202
Energy: 1.4510274063732298
Energy: 1.4484743948499839
Energy: 1.4510274063739976
Energy: 1.2226132804570555
Energy: 1.2437132858398015
Energy: 1.2400313084983976
Energy: 1.2437132858398015
Energy: 1.2226132804577885
Energy: 1.2437132858390338
Energy: 1.24464082645899
Energy: 1.2201742549852963
Energy: 1.448552827188101
Energy: 1.220174254552538
Energy: 1.2446408264582223
Energy: 1.22017425514796
Energy: 1.4320498942589968
Energy: 1.419832946746095
Energy: 1.4458573983543257
Energy: 1.41983294674456
Energy: 1.4320498942589968
Energy: 1.419832946746863
Energy: 1.233832675875168
Energy: 1.3809719556803557
Energy: 1.2202085683771102
Energy: 1.3809719556803557
Energy: 1.233832675875168
Energy: 1.3809719556811235
Energy: 1.2171899567920446
Energy: 1.4215249322828107
Energy: 1.2458114735594452
Energy: 1.4215249322835781
Energy: 1.2171899567920446
Energy: 1.4215249322835781
Energy: 1.2207037548239745
Energy: 1.2832062255156713
Energy: 1.7066934537587002
Energy: 1.2832062255164387
Energy: 1.220703754823207
Energy: 1.2832062255172063
Energy: 1.4619217989701074
Energy: 1.5433497420939566
Energy: 1.514233588583642
Energy: 1.5433497420939566
Energy: 1.461921798970875
Energy: 1.5433497420939566
Energy: 1.2293439790960408
Energy: 1.4157672987848486
Energy: 1.2257608902020556
Energy: 1.4157672987863839
Energy: 1.2293439790952732
Energy: 1.4157672987863839
Energy: 1.4706226792704937
Energy: 1.3019499555407448
Energy: 1.2202966317033963
Energy: 1.3019499554540395
Energy: 1.4706226792689585
Energy: 1.3019499556159355
Energy: 1.2365603022645917
Energy: 1.4648621491584022
Energy: 1.630785825986145
Energy: 1.4648621491721843
Energy: 1.2365603022645917
Energy: 1.464862149160705
Energy: 1.7026022527637525
Energy: 1.7693134742292256
Energy: 1.4927147780143097
Energy: 1.7693134742299934
Energy: 1.7026022527645202
Energy: 1.7693134742284582
Energy: 1.2193529893539243
Energy: 1.2447328343872697
Energy: 1.5793346638735708
Energy: 1.2447328343880375
Energy: 1.2193529893546922
Energy: 1.2447328343880375
Energy: 1.3331977897101188
Energy: 1.2424069211750803
Energy: 1.2227490574954478
Energy: 1.2424069211781508
Energy: 1.3331977897108862
Energy: 1.242406921175848
Energy: 1.4825655755434266
Energy: 1.529657173333166
Energy: 1.2418796017245817
Energy: 1.5296571733400746
Energy: 1.4825655755434266
Energy: 1.5296571733439126
Energy: 1.6912191255171336
Energy: 1.389030471386002
Energy: 1.23227018003608
Energy: 1.3890304702143834
Energy: 1.691219125517901
Energy: 1.3890304715049122
Energy: 1.226642854384962
Energy: 1.4267469905828658
Energy: 1.434442135847435
Energy: 1.4267469905851686
Energy: 1.226642854384962
Energy: 1.4267469905820982
Energy: 1.2432249968708389
Energy: 1.4228881095320258
Energy: 1.2228916783205184
Energy: 1.4228881095312582
Energy: 1.2432249968716063
Energy: 1.4228881095312582
Energy: 1.5007668966047638
Energy: 1.5675751327630467
Energy: 1.217875042008725
Energy: 1.5675751327661172
Energy: 1.5007668966047638
Energy: 1.56757513276842
Energy: 1.7059517910621953
Energy: 1.285170963592543
Energy: 1.2177762135827748
Energy: 1.2851709635887052
Energy: 1.7059517910621953
Energy: 1.2851709635656765
Energy: 1.263150583544167
Energy: 1.4284645283830548
Energy: 1.2203031106921314
Energy: 1.4284645283830548
Energy: 1.2631505835449344
Energy: 1.4284645283838222
Energy: 1.2207223133078102
Energy: 1.4335645564450998
Energy: 1.431083918454904
Energy: 1.4335645564458672
Energy: 1.2207223133078102
Energy: 1.4335645564458672
Energy: 1.4485866434455337
Energy: 1.4114228090364223
Energy: 1.2359819426889176
Energy: 1.411422809034887
Energy: 1.4485866434455337
Energy: 1.411422809033352
Energy: 1.4478841253781434
Energy: 1.2202287941301844
Energy: 1.2428881024555194
Energy: 1.2202287941286494
Energy: 1.4478841253850518
Energy: 1.220228794129417
Energy: 1.2444671380411076
Energy: 1.245089819806868
Energy: 1.224113206591539
Energy: 1.2450898198061002
Energy: 1.2444671380395722
Energy: 1.2450898198061002
Energy: 1.2226702978659143
Energy: 1.4072167166533367
Energy: 1.6874001020000786
Energy: 1.4072167166533367
Energy: 1.2226702978651465
Energy: 1.4072167166533367
Energy: 1.4687788136723061
Energy: 1.766275892267345
Energy: 1.459649348851533
Energy: 1.7662758922681123
Energy: 1.4687788136723061
Energy: 1.766275892267345
Energy: 1.2350764672713008
Energy: 1.4694822383869743
Energy: 1.6452994340862668
Energy: 1.4694822383908122
Energy: 1.2350764672697656
Energy: 1.4694822383908122
Energy: 1.6166943809044207
Energy: 1.3056423028743949
Energy: 1.2269772222527335
Energy: 1.3056423028751625
Energy: 1.6166943809044207
Energy: 1.3056423028751625
Energy: 1.226036684373401
Energy: 1.4883876116688193
Energy: 1.5694060576536542
Energy: 1.488387611666516
Energy: 1.226036684373401
Energy: 1.4883876116688193
Energy: 1.456331907003222
Energy: 1.5445971442021065
Energy: 1.5337796944610447
Energy: 1.5445971441430004
Energy: 1.4563319070093628
Energy: 1.5445971440877673
Energy: 1.2227568147473609
Energy: 1.6435154241954402
Energy: 1.7058261492719828
Energy: 1.6435154241946723
Energy: 1.2227568147473609
Energy: 1.6435154241962078

minimum gb energy = 1.2171899567920446 eV
minimum distance =  2.19706925669477 Angstroms
sigma value = 41


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

Energy: 1.0843925337915459
Energy: 1.054900833846938
Energy: 1.8066728853283553
Energy: 1.0549008338490338
Energy: 1.08439253378945
Energy: 1.0549008338490338
Energy: 1.6146952732902697
Energy: 1.0582239984875232
Energy: 1.0515732799776694
Energy: 1.0582239984875232
Energy: 1.6146952732902697
Energy: 1.0582239984875232
Energy: 1.085097058556895
Energy: 1.2338522020033313
Energy: 1.0532931681830104
Energy: 1.2338522020033313
Energy: 1.0850970585589912
Energy: 1.2338522020033313
Energy: 1.647544715502353
Energy: 1.057056999264227
Energy: 1.0515940912598987
Energy: 1.057056999262131
Energy: 1.6475447155128322
Energy: 1.057056999262131
Energy: 1.0822757817439925
Energy: 1.4418344514505115
Energy: 1.053971761312041
Energy: 1.4418344514505115
Energy: 1.0822757817439925
Energy: 1.4418344514526071
Energy: 1.0802553302737956
Energy: 1.0889145944837793
Energy: 1.0515031796754717
Energy: 1.0889145944837793
Energy: 1.0802553476571082
Energy: 1.0889145944837793
Energy: 1.6441776774732795
Energy: 1.0584159418900316
Energy: 1.0556077043113357
Energy: 1.0584159418921275
Energy: 1.6441776774732795
Energy: 1.0584159418921275
Energy: 1.086545141416821
Energy: 1.0554859366308809
Energy: 1.05229559817364
Energy: 1.0554859366308809
Energy: 1.086545141418917
Energy: 1.0554859366308809
Energy: 1.5862649287811104
Energy: 1.0926622907634138
Energy: 1.0571443175693425
Energy: 1.0926622907613177
Energy: 1.5862649287811104
Energy: 1.0926622907613177
Energy: 1.0867989900273614
Energy: 1.4398212056588664
Energy: 1.0565440842248557
Energy: 1.4398212056588664
Energy: 1.0867989900252657
Energy: 1.4398212056567707
Energy: 1.6024672668715165
Energy: 1.055320435110188
Energy: 1.058680614959343
Energy: 1.055320435110188
Energy: 1.6024672668715165
Energy: 1.055320435110188
Energy: 1.0963322993056546
Energy: 1.2293160377173613
Energy: 1.6505465584529357
Energy: 1.2293160377194572
Energy: 1.0963322993056546
Energy: 1.2293160377173613
Energy: 1.6024876552625498
Energy: 1.055269596889312
Energy: 1.0587036669264556
Energy: 1.055269596889312
Energy: 1.6024876552625498
Energy: 1.055269596889312
Energy: 1.0867782076942656
Energy: 1.440213555930911
Energy: 1.0565939344085415
Energy: 1.4402135559351026
Energy: 1.0867782076942656
Energy: 1.4402135559351026

minimum gb energy = 1.0515031796754717 eV
minimum distance =  2.21527027501485 Angstroms
sigma value = 11


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

Energy: 1.5827460659414068
Energy: 1.2711871290200363
Energy: 1.7725949944063375
Energy: 1.2711871290200363
Energy: 1.5827460659414068
Energy: 1.2711871290209569
Energy: 1.533283819519252
Energy: 1.5753314981877924
Energy: 1.2541088481556517
Energy: 1.5753314981841096
Energy: 1.5332838195183311
Energy: 1.5753314981877924
Energy: 1.2561546170772622
Energy: 1.3735437384587266
Energy: 1.2551798110333372
Energy: 1.373543738457806
Energy: 1.2561546170772622
Energy: 1.373543738457806
Energy: 1.2742909559221425
Energy: 1.2778932914711911
Energy: 1.2565609269372442
Energy: 1.2778932914711911
Energy: 1.2742909559212217
Energy: 1.2778932914711911
Energy: 1.4882319541625442
Energy: 1.4511102097533213
Energy: 1.273112823899376
Energy: 1.451110209754242
Energy: 1.4882319541625442
Energy: 1.451110209754242
Energy: 1.2914014120544708
Energy: 1.478924306161226
Energy: 1.4731397612866468
Energy: 1.478924306161226
Energy: 1.2914014120544708
Energy: 1.478924306161226
Energy: 1.2776002298704459
Energy: 1.5242932582273352
Energy: 1.31252429219853
Energy: 1.524293258228256
Energy: 1.2776002298704459
Energy: 1.5242932582273352
Energy: 1.256330047037541
Energy: 1.2816477922442482
Energy: 1.3978103578628416
Energy: 1.2816477922433274
Energy: 1.256330047037541
Energy: 1.2816477922433274
Energy: 1.5428866674357467
Energy: 1.336689952330765
Energy: 1.2573633591741926
Energy: 1.3366899523298441
Energy: 1.5428866674357467
Energy: 1.336689952330765
Energy: 1.257985377983685
Energy: 1.4574628129471718
Energy: 1.353691434002766
Energy: 1.4574628129471718
Energy: 1.257985377983685
Energy: 1.4574628129471718
Energy: 1.484442579923704
Energy: 1.5962216621404977
Energy: 1.543164339957574
Energy: 1.5962216621386562
Energy: 1.4844425799227832
Energy: 1.5962216621395766
Energy: 1.2562276361774252
Energy: 1.4829822052793697
Energy: 1.4801006157712182
Energy: 1.4829822052793697
Energy: 1.2562276361801872
Energy: 1.4829822052793697
Energy: 1.2559000686933912
Energy: 1.3713984026837873
Energy: 1.4912808665314663
Energy: 1.3713984026837873
Energy: 1.2559000686933912
Energy: 1.3713984026847081
Energy: 1.2723393855173137
Energy: 1.3421203223658018
Energy: 1.2720735657857607
Energy: 1.3421203223658018
Energy: 1.2723393855173137
Energy: 1.3421203223658018
Energy: 1.2546239346760097
Energy: 1.5208657767919764
Energy: 1.4728908800012903
Energy: 1.520865776792897
Energy: 1.2546239346760097
Energy: 1.520865776792897
Energy: 1.6090633682243782
Energy: 1.5514063457532128
Energy: 1.2920709078807542
Energy: 1.5514063457550542
Energy: 1.6090633682243782
Energy: 1.5514063457532128
Energy: 1.3124444261531731
Energy: 1.5245172039038135
Energy: 1.438347839476317
Energy: 1.5245172039019932
Energy: 1.3124444261531731
Energy: 1.5245172039065755
Energy: 1.4730869890675984
Energy: 1.5206942663489458
Energy: 1.2562003908019737
Energy: 1.5206942663489458
Energy: 1.4730869890675984
Energy: 1.5206942663489458
Energy: 1.2719319203663706
Energy: 1.371478975587296
Energy: 1.26993784553059
Energy: 1.3714789755826928
Energy: 1.2719319203663706
Energy: 1.3714789755863752
Energy: 1.259084778163048
Energy: 1.3725034962760159
Energy: 1.2544505649965136
Energy: 1.3725034962769365
Energy: 1.259084778163048
Energy: 1.3725034962769365
Energy: 1.4704835596849342
Energy: 1.3978952504974271
Energy: 1.2548559457646644
Energy: 1.3978952504946651
Energy: 1.4704835596858552
Energy: 1.3978952505084756
Energy: 1.5368960440373893
Energy: 1.5972744403265142
Energy: 1.4824505902115532
Energy: 1.5972744403283556
Energy: 1.5368960440355481
Energy: 1.5972744403265142
Energy: 1.2702296976480982
Energy: 1.4574522747388687
Energy: 1.2788237516214682
Energy: 1.4574522747379484
Energy: 1.2702296976462568
Energy: 1.4574522747379484
Energy: 1.2564777504286804
Energy: 1.3421523988393138
Energy: 1.5438322579414234
Energy: 1.3421523988402344
Energy: 1.2564777504305216
Energy: 1.3421523988402344
Energy: 1.2554081040558365
Energy: 1.2806189104882137
Energy: 1.2556508514687914
Energy: 1.2806189104882137
Energy: 1.255408104056757
Energy: 1.2806189104882137
Energy: 1.2912904771518063
Energy: 1.4385444545000439
Energy: 1.2767620928952261
Energy: 1.4385444545000439
Energy: 1.2912904771508855
Energy: 1.4385444545000439
Energy: 1.4736112600837588
Energy: 1.4693575570569548
Energy: 1.4877326386065137
Energy: 1.4693575570394615
Energy: 1.4736112600846796
Energy: 1.4693575570265718
Energy: 1.271282996286767
Energy: 1.4404993648684379
Energy: 1.2915599706704561
Energy: 1.4404993648675173
Energy: 1.271282996286767
Energy: 1.4404993648684379
Energy: 1.2590997129852208
Energy: 1.2791263983263585
Energy: 1.2744685845873849
Energy: 1.2791263983263585
Energy: 1.2590997129852208
Energy: 1.2791263983272791
Energy: 1.2600046274505976
Energy: 1.3735320232796058
Energy: 1.2569209040612037
Energy: 1.3735320232796058
Energy: 1.2600046274505976
Energy: 1.3735320232796058
Energy: 1.2585025469505944
Energy: 1.5747666831181713
Energy: 1.615453654237412
Energy: 1.5747666831172504
Energy: 1.258502546948753
Energy: 1.5747666831172504

minimum gb energy = 1.2541088481556517 eV
minimum distance =  2.19081503832046 Angstroms
sigma value = 57


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

Energy: 1.3664014648884244
Energy: 1.354847743818206
Energy: 1.6654808129775955
Energy: 1.354847743818206
Energy: 1.3664014648900629
Energy: 1.354847743818206
Energy: 1.3228247997298144
Energy: 1.3345534010806628
Energy: 1.3111285176269265
Energy: 1.3345534010806628
Energy: 1.3228247997298144
Energy: 1.3345534010806628
Energy: 1.318177713335477
Energy: 1.3603506133320853
Energy: 1.3116411909229222
Energy: 1.360350613330447
Energy: 1.318177713335477
Energy: 1.360350613330447
Energy: 1.311836755782708
Energy: 1.7374364084854905
Energy: 1.3125754925081183
Energy: 1.7374364084854905
Energy: 1.311836755782708
Energy: 1.7374364084854905
Energy: 1.3116066392620094
Energy: 1.3602834580169585
Energy: 1.3125118796166182
Energy: 1.3602834580169585
Energy: 1.3116066392620094
Energy: 1.3602834580169585
Energy: 1.317420442194087
Energy: 1.3346551528953843
Energy: 1.3225700469538804
Energy: 1.3346551528953843
Energy: 1.3174204421924487
Energy: 1.3346551528953843
Energy: 1.5343253349327668
Energy: 1.3548477438198445
Energy: 1.3664014648900629
Energy: 1.3548477438198445
Energy: 1.5343253349311285
Energy: 1.3548477438198445
Energy: 1.311128517625288
Energy: 1.3345534010806628
Energy: 1.322824799728176
Energy: 1.3345534010806628
Energy: 1.311128517625288
Energy: 1.3345534010806628
Energy: 1.3116411909229222
Energy: 1.360350613330447
Energy: 1.3181777133371153
Energy: 1.360350613330447
Energy: 1.3116411909229222
Energy: 1.3603506133320853
Energy: 1.3125754925081183
Energy: 1.460288350493825
Energy: 1.311836755782708
Energy: 1.737436408487129
Energy: 1.3125754925081183
Energy: 1.460288360935454
Energy: 1.3125118796182564
Energy: 1.3602834580185967
Energy: 1.3116066392620094
Energy: 1.3602834580185967
Energy: 1.3125118796166182
Energy: 1.3602834580185967
Energy: 1.3225700469506037
Energy: 1.3346551528953843
Energy: 1.3174204421924487
Energy: 1.3346551528970227
Energy: 1.3225700469506037
Energy: 1.3346551528953843
Energy: 1.3664014648900629
Energy: 1.3548477438198445
Energy: 1.53432533492949
Energy: 1.354847743818206
Energy: 1.3664014648884244
Energy: 1.354847743818206
Energy: 1.322824799728176
Energy: 1.3345534010806628
Energy: 1.3111285176269265
Energy: 1.3345534010806628
Energy: 1.322824799728176
Energy: 1.3345534010806628
Energy: 1.3181777133322372
Energy: 1.360350613330447
Energy: 1.3116411909229222
Energy: 1.3603506133320853
Energy: 1.318177713335477
Energy: 1.3603506133320853
Energy: 1.3118367557843462
Energy: 1.3833819592312182
Energy: 1.3125754925081183
Energy: 1.3833819640508183
Energy: 1.311836755782708
Energy: 1.4602885164476174
Energy: 1.3116066392620094
Energy: 1.3602834580169585
Energy: 1.3125118796166182
Energy: 1.3602834580169585
Energy: 1.3116066392620094
Energy: 1.3602834580169585

minimum gb energy = 1.311128517625288 eV
minimum distance =  2.22279305363103 Angstroms
sigma value = 9


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

Energy: 1.4632752865250707
Energy: 1.4304380133513768
Energy: 1.6922429797203626
Energy: 1.4304380133527148
Energy: 1.4632752865264083
Energy: 1.4304380133527148
Energy: 1.3712688374732538
Energy: 1.4373469837752693
Energy: 1.3452521632305323
Energy: 1.4373469837752693
Energy: 1.3712688374745914
Energy: 1.4373469837739314
Energy: 1.3493798211628976
Energy: 1.407712272195231
Energy: 1.3468810026338545
Energy: 1.407712272195231
Energy: 1.3493798211615597
Energy: 1.407712272195231
Energy: 1.3494374422928246
Energy: 1.3377352057438276
Energy: 1.3766532870804211
Energy: 1.3377352057491787
Energy: 1.3494374422914872
Energy: 1.3377352057491787
Energy: 1.3704592494954821
Energy: 1.4318155695422141
Energy: 1.3479566073724107
Energy: 1.4318155695422141
Energy: 1.3704592494954821
Energy: 1.4318155695422141
Energy: 1.3488426805369487
Energy: 1.3644109976509782
Energy: 1.565008887380137
Energy: 1.3644109976496406
Energy: 1.348842680535611
Energy: 1.3644109976496406
Energy: 1.3517991655836235
Energy: 1.4085942768995197
Energy: 1.348547123992361
Energy: 1.4085942768981823
Energy: 1.3517991655836235
Energy: 1.4085942768981823
Energy: 1.3979472332487473
Energy: 1.4768066706082046
Energy: 1.3455856640700907
Energy: 1.476806670606867
Energy: 1.3979472332500853
Energy: 1.476806670582788
Energy: 1.3976810386791743
Energy: 1.4050115917712542
Energy: 1.3532375761235906
Energy: 1.405011591772592
Energy: 1.3976810386791743
Energy: 1.405011591772592
Energy: 1.3510511486361616
Energy: 1.4472430218148145
Energy: 1.363245298362116
Energy: 1.4472430218134769
Energy: 1.3510511486361616
Energy: 1.4472430218134769
Energy: 1.3516496316392903
Energy: 1.3516809374760028
Energy: 1.3768611224599103
Energy: 1.3516809374773404
Energy: 1.3516496316379525
Energy: 1.3516809374773404
Energy: 1.3484800601218296
Energy: 1.408128607288571
Energy: 1.4104253340574207
Energy: 1.4081286072858956
Energy: 1.3484800601205225
Energy: 1.4081286072858956
Energy: 1.3508126002257992
Energy: 1.409707260634083
Energy: 1.40084364563207
Energy: 1.4097072606380656
Energy: 1.3508126002257992
Energy: 1.4097072606367282
Energy: 1.3484241479997887
Energy: 1.3772840030459683
Energy: 1.3512296623779203
Energy: 1.3772840030459683
Energy: 1.3484241479997887
Energy: 1.3772840030459683
Energy: 1.5376075188032585
Energy: 1.446785669595557
Energy: 1.3609271173274249
Energy: 1.4467856695928816
Energy: 1.5376075188032585
Energy: 1.4467856695928816
Energy: 1.3975635691347534
Energy: 1.405193088282374
Energy: 1.3849554077904822
Energy: 1.405193088282374
Energy: 1.3975635691347534
Energy: 1.4051930882837118
Energy: 1.4034990679536115
Energy: 1.4046607447339943
Energy: 1.3777918287631181
Energy: 1.404660744731319
Energy: 1.4034990679536115
Energy: 1.404660744731319
Energy: 1.4383164833670496
Energy: 1.4453126262706892
Energy: 1.362835256250524
Energy: 1.4453126262706892
Energy: 1.438316483365712
Energy: 1.4453126262720268
Energy: 1.3512027094694823
Energy: 1.3395089155811513
Energy: 1.353369122211213
Energy: 1.339508915582489
Energy: 1.3512027094694823
Energy: 1.339508915582489
Energy: 1.3493554345387964
Energy: 1.4305133188322405
Energy: 1.346873225132258
Energy: 1.4305133188362233
Energy: 1.3493554345374585
Energy: 1.4305133188362233
Energy: 1.3511704844295178
Energy: 1.338867300019726
Energy: 1.3806899937769987
Energy: 1.3388673000183882
Energy: 1.3511704844295178
Energy: 1.3388673000183882

minimum gb energy = 1.3377352057438276 eV
minimum distance =  2.22364901279248 Angstroms
sigma value = 27


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

Energy: 1.5112908180366418
Energy: 1.5735516895141541
Energy: 1.5355931177564648
Energy: 1.5735516895130521
Energy: 1.5112908180366418
Energy: 1.5735516895130521
Energy: 1.4211239598495276
Energy: 1.4299136074635135
Energy: 1.379139988137345
Energy: 1.4299136074590033
Energy: 1.4211239598495276
Energy: 1.429913607462386
Energy: 1.345198613497734
Energy: 1.454126776669831
Energy: 1.378952783647349
Energy: 1.454126776704761
Energy: 1.345198613497734
Energy: 1.4541267766517891
Energy: 1.3780425124365945
Energy: 1.3884363490979346
Energy: 1.4092954022034518
Energy: 1.388436349096807
Energy: 1.3780425124365945
Energy: 1.388436349096807
Energy: 1.3178970305891813
Energy: 1.413795321772996
Energy: 1.3434397575529387
Energy: 1.4137953217752512
Energy: 1.3178970305880537
Energy: 1.4137953218270956
Energy: 1.3710168708602033
Energy: 1.3592844896267506
Energy: 1.3584286964490189
Energy: 1.3592844896278782
Energy: 1.3710168708602033
Energy: 1.3592844896278782
Energy: 1.3520824177352977
Energy: 1.3754035524732173
Energy: 1.365508129031801
Energy: 1.375403552474345
Energy: 1.3520824177352977
Energy: 1.375403552474345
Energy: 1.3488303671057098
Energy: 1.410511125876585
Energy: 1.3660595231428294
Energy: 1.4105111258754572
Energy: 1.3488303671057098
Energy: 1.4105111258754572
Energy: 1.442532784242041
Energy: 1.396640189593267
Energy: 1.5539691938366003
Energy: 1.396640189593267
Energy: 1.442532784242041
Energy: 1.396640189593267
Energy: 1.3639155531836251
Energy: 1.4814563134386711
Energy: 1.3986376818587192
Energy: 1.4814563134443093
Energy: 1.3639155531824974
Energy: 1.4814563134397987
Energy: 1.3490555931815564
Energy: 1.4414207227766624
Energy: 1.3985565567111526
Energy: 1.4414207227777902
Energy: 1.3490555931815564
Energy: 1.4414207227789175
Energy: 1.4424773114280653
Energy: 1.3964072339522875
Energy: 1.3564728137927655
Energy: 1.396407233953415
Energy: 1.4424773114269378
Energy: 1.396407233953415
Energy: 1.3643780854801029
Energy: 1.4851415889688522
Energy: 1.3655144131529426
Energy: 1.4851415889677244
Energy: 1.3643780854801029
Energy: 1.4851415889677244
Energy: 1.3494358730130578
Energy: 1.428084280352657
Energy: 1.366144289946049
Energy: 1.4280842803537848
Energy: 1.3494358730130578
Energy: 1.4280842803537848
Energy: 1.3775469381953003
Energy: 1.3602074103506534
Energy: 1.3584212540043195
Energy: 1.3602074103495259
Energy: 1.3775469381953003
Energy: 1.3602074103495259
Energy: 1.3177143346795022
Energy: 1.4137953217594648
Energy: 1.3429692331868366
Energy: 1.4137953216591594
Energy: 1.3177143346806297
Energy: 1.4137953217245092
Energy: 1.3779614213737374
Energy: 1.3885351641556491
Energy: 1.3325381720000251
Energy: 1.3885351641545216
Energy: 1.3779614213737374
Energy: 1.3885351641545216
Energy: 1.344891096768877
Energy: 1.4596740570552018
Energy: 1.3791394862700141
Energy: 1.4596740570529467
Energy: 1.344891096768877
Energy: 1.459674057051819
Energy: 1.385044310298953
Energy: 1.5557468563915937
Energy: 1.3791832192217068
Energy: 1.5557468563927213
Energy: 1.385044310298953
Energy: 1.5557468563927213
Energy: 1.5112908180366418
Energy: 1.5735516895130521
Energy: 1.5350689289143526
Energy: 1.5735516895119244
Energy: 1.5112908180366418
Energy: 1.5735516895119244
Energy: 1.4211239598495276
Energy: 1.4299136074646412
Energy: 1.3791399881384727
Energy: 1.4299136074646412
Energy: 1.4211239598495276
Energy: 1.429913607462386
Energy: 1.3451986134988618
Energy: 1.4541267766641928
Energy: 1.378952783647349
Energy: 1.4541267766788517
Energy: 1.3451986134988618
Energy: 1.4541267766472787
Energy: 1.3780425124365945
Energy: 1.3884363490956793
Energy: 1.4092954022023243
Energy: 1.388436349096807
Energy: 1.3780425124365945
Energy: 1.3884363490956793
Energy: 1.317897030586926
Energy: 1.413795321822585
Energy: 1.3434397575518109
Energy: 1.4137953217797619
Energy: 1.317897030586926
Energy: 1.4137953218406012
Energy: 1.3710168708602033
Energy: 1.3592844896278782
Energy: 1.3584286964490189
Energy: 1.3592844896267506
Energy: 1.3710168708602033
Energy: 1.3592844896278782

minimum gb energy = 1.3177143346795022 eV
minimum distance =  2.22469436311809 Angstroms
sigma value = 19


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

Energy: 1.4701424904790048
Energy: 1.2715287883416722
Energy: 1.5329539567134622
Energy: 1.2715287883455657
Energy: 1.4701424904790048
Energy: 1.2715287883426456
Energy: 1.2743317124410944
Energy: 1.3985464521095292
Energy: 1.2561410037306688
Energy: 1.3985464521095292
Energy: 1.2743317124410944
Energy: 1.3985464521114759
Energy: 1.2724640472808264
Energy: 1.3469006081661072
Energy: 1.2563905630933125
Energy: 1.3469006081651338
Energy: 1.2724640472808264
Energy: 1.3469006081651338
Energy: 1.3207076661743244
Energy: 1.375799319867459
Energy: 1.29632270784775
Energy: 1.3757993198664855
Energy: 1.3207076661752981
Energy: 1.3757993198664855
Energy: 1.2852052768659443
Energy: 1.3056702046904833
Energy: 1.3011830735532062
Energy: 1.3056702046904833
Energy: 1.2852052768659443
Energy: 1.3056702046904833
Energy: 1.274647895076365
Energy: 1.3580179000381223
Energy: 1.2997418924463453
Energy: 1.3580179000390955
Energy: 1.274647895076365
Energy: 1.3580179000390955
Energy: 1.2937698453443054
Energy: 1.3685281328981969
Energy: 1.2950516772542164
Energy: 1.3685281329001435
Energy: 1.2937698453443054
Energy: 1.36852813289917
Energy: 1.285151535760889
Energy: 1.3049176394391837
Energy: 1.3005408461192307
Energy: 1.3049176394382105
Energy: 1.285151535760889
Energy: 1.3049176394382105
Energy: 1.2935246730564465
Energy: 1.3580231056642345
Energy: 1.345951453306263
Energy: 1.3580231056652077
Energy: 1.2935246730564465
Energy: 1.3580231056652077
Energy: 1.284833125228113
Energy: 1.3783042508548853
Energy: 1.2564548237027553
Energy: 1.3783042508539118
Energy: 1.284833125228113
Energy: 1.3783042508529384
Energy: 1.2835925702163768
Energy: 1.3606614776336847
Energy: 1.257129025315546
Energy: 1.3606614776317383
Energy: 1.2835925702163768
Energy: 1.3606614776317383
Energy: 1.2993722826083682
Energy: 1.4548260723014002
Energy: 1.256917889843978
Energy: 1.4548260723023736
Energy: 1.2993722826083682
Energy: 1.4548260723014002
Energy: 1.2990117356448982
Energy: 1.4546196862269274
Energy: 1.256408376113978
Energy: 1.4546196862259542
Energy: 1.2990117356448982
Energy: 1.4546196862259542
Energy: 1.272242234319781
Energy: 1.3610979541802009
Energy: 1.3707029359284668
Energy: 1.3610979541792276
Energy: 1.272242234319781
Energy: 1.3610979541792276
Energy: 1.293428705467674
Energy: 1.3753960372331548
Energy: 1.2567381502441066
Energy: 1.3753960372321816
Energy: 1.293428705467674
Energy: 1.3753960372321816
Energy: 1.2919253921202205
Energy: 1.3047914952159096
Energy: 1.2582894542264351
Energy: 1.3047914952139628
Energy: 1.2919253921192473
Energy: 1.3047914952129895
Energy: 1.2724547314481434
Energy: 1.3042789741824226
Energy: 1.2580331792158566
Energy: 1.3042789741853427
Energy: 1.27245473144717
Energy: 1.304278974186316
Energy: 1.2919775190462277
Energy: 1.4457420551066977
Energy: 1.2564314994530505
Energy: 1.4457420551066977
Energy: 1.2919775190462277
Energy: 1.4457420551066977
Energy: 1.2724135614395486
Energy: 1.304245493494933
Energy: 1.2580431690612461
Energy: 1.304245493494933
Energy: 1.2724135614385752
Energy: 1.304245493494933
Energy: 1.2919330090650036
Energy: 1.3048180709768913
Energy: 1.2582596696179797
Energy: 1.3048180709749444
Energy: 1.2919330090640304
Energy: 1.3048180709749444
Energy: 1.2935468420403395
Energy: 1.376154569684687
Energy: 1.2576644402810941
Energy: 1.3761545696856603
Energy: 1.2935468420403395
Energy: 1.3761545696866337
Energy: 1.2720777301612398
Energy: 1.3613147630795839
Energy: 1.3706690624852156
Energy: 1.3613147630815305
Energy: 1.2720777301602664
Energy: 1.3613147630805573
Energy: 1.2989261660067746
Energy: 1.4545301153796406
Energy: 1.2562055574285613
Energy: 1.4545301153922938
Energy: 1.2989261660067746
Energy: 1.454530115381587
Energy: 1.299055148561421
Energy: 1.4548488092971417
Energy: 1.257190246005852
Energy: 1.4548488092971417
Energy: 1.299055148561421
Energy: 1.454848809294222
Energy: 1.2835654956015083
Energy: 1.3602446189664408
Energy: 1.2581037690277248
Energy: 1.360244618967414
Energy: 1.2835654956015083
Energy: 1.360244618967414
Energy: 1.2846181861900139
Energy: 1.3784572995281554
Energy: 1.2564571225721464
Energy: 1.3784572995281554
Energy: 1.2846181861900139
Energy: 1.3784572995281554
Energy: 1.2936041165509087
Energy: 1.3580902175991383
Energy: 1.345951453306263
Energy: 1.3580902175991383
Energy: 1.2936041165509087
Energy: 1.3580902175991383
Energy: 1.2850756786699475
Energy: 1.305063357580071
Energy: 1.3006285628186047
Energy: 1.305063357580071
Energy: 1.2850756786699475
Energy: 1.305063357580071
Energy: 1.2939235043293547
Energy: 1.3685281328972236
Energy: 1.2950788496858845
Energy: 1.36852813289917
Energy: 1.2939235043293547
Energy: 1.36852813289917

minimum gb energy = 1.2561410037306688 eV
minimum distance =  2.21872274270738 Angstroms
sigma value = 101


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

Energy: 1.451648808223348
Energy: 1.327524003291777
Energy: 1.4699519750664476
Energy: 1.327524003291777
Energy: 1.451648808223348
Energy: 1.3275240032926325
Energy: 1.2340894857392883
Energy: 1.3297409229629857
Energy: 1.2335045506839668
Energy: 1.3297409229621304
Energy: 1.2340894857392883
Energy: 1.3297409229595636
Energy: 1.2181215537555967
Energy: 1.3364906373701422
Energy: 1.2596555219667855
Energy: 1.336490637370998
Energy: 1.218121553754741
Energy: 1.3364906373701422
Energy: 1.2523813615176649
Energy: 1.2946502906484247
Energy: 1.2408827660363302
Energy: 1.2946502906492803
Energy: 1.2523813615176649
Energy: 1.2946502906484247
Energy: 1.2069605951362017
Energy: 1.2772330370936398
Energy: 1.218370673610413
Energy: 1.2772330370936398
Energy: 1.2069605951362017
Energy: 1.277233037092784
Energy: 1.2210074575757428
Energy: 1.3412046210734132
Energy: 1.2060439887706382
Energy: 1.3412046210734132
Energy: 1.2210074575757428
Energy: 1.3412046210734132
Energy: 1.2183276430477306
Energy: 1.3482030458476362
Energy: 1.2068951397183143
Energy: 1.3482030458467804
Energy: 1.2183276430477306
Energy: 1.3482030458476362
Energy: 1.2177868296235141
Energy: 1.34636610431249
Energy: 1.2179885881420727
Energy: 1.346366104313346
Energy: 1.2177868296226584
Energy: 1.3463661043142012
Energy: 1.206436392219565
Energy: 1.3144416283945504
Energy: 1.2185698690491054
Energy: 1.3144416283945504
Energy: 1.2064363922187094
Energy: 1.314441628393695
Energy: 1.2063928709767309
Energy: 1.303175518539384
Energy: 1.2070378324983992
Energy: 1.303175518521416
Energy: 1.2063928709767309
Energy: 1.3031755185222718
Energy: 1.2675849962743544
Energy: 1.2913806879263479
Energy: 1.2863364811406721
Energy: 1.2913806879272036
Energy: 1.2675849962743544
Energy: 1.2913806879272036
Energy: 1.2333859229311346
Energy: 1.3350102866106048
Energy: 1.2059705302588428
Energy: 1.335010286609749
Energy: 1.2333859229311346
Energy: 1.3350102866106048
Energy: 1.235048727461055
Energy: 1.3365206403687533
Energy: 1.2522394281184308
Energy: 1.3365206403678975
Energy: 1.2350487274601996
Energy: 1.3365206403678975
Energy: 1.2584107596506526
Energy: 1.2355004018195521
Energy: 1.2341632364715107
Energy: 1.2355004018195521
Energy: 1.258410759649797
Energy: 1.2355004018195521
Energy: 1.2057515733504682
Energy: 1.5181418557681954
Energy: 1.2335218956851317
Energy: 1.5181418557681954
Energy: 1.2057515733496127
Energy: 1.5181418557681954
Energy: 1.2779206005653967
Energy: 1.3359686824885173
Energy: 1.2173743555193122
Energy: 1.3359686824893728
Energy: 1.2779206005645407
Energy: 1.3359686824893728
Energy: 1.2072537641858077
Energy: 1.3448791717300486
Energy: 1.2513489990831852
Energy: 1.3448791717300486
Energy: 1.2072537641858077
Energy: 1.344879171733471
Energy: 1.2178769736714328
Energy: 1.277496339435062
Energy: 1.2062232675683036
Energy: 1.2774963394342067
Energy: 1.2178769736714328
Energy: 1.2774963394342067
Energy: 1.216370925719711
Energy: 1.3010551480283914
Energy: 1.219055711836788
Energy: 1.3010551480283914
Energy: 1.216370925719711
Energy: 1.3010551480283914
Energy: 1.206745511774541
Energy: 1.4234582736025514
Energy: 1.2065949729568421
Energy: 1.4234582736025514
Energy: 1.206745511774541
Energy: 1.4234582736025514
Energy: 1.2289996932997462
Energy: 1.2766526816113983
Energy: 1.2184756491043243
Energy: 1.2766526816113983
Energy: 1.2289996932997462
Energy: 1.2766526816113983
Energy: 1.2060734172721868
Energy: 1.3012963007132827
Energy: 1.2061523418278028
Energy: 1.3012963002685984
Energy: 1.206073417271331
Energy: 1.3012963000086095
Energy: 1.2186295651790455
Energy: 1.3018045895728274
Energy: 1.2066544307100555
Energy: 1.3018045895728274
Energy: 1.2186295651790455
Energy: 1.3018045895719714
Energy: 1.2522223868251225
Energy: 1.3461065749302008
Energy: 1.2655215103509256
Energy: 1.3461065749293455
Energy: 1.2522223868259783
Energy: 1.3461065749302008
Energy: 1.2067519450391153
Energy: 1.4491149123213127
Energy: 1.205829220623943
Energy: 1.4491149123213127
Energy: 1.2067519450391153
Energy: 1.4491149123213127
Energy: 1.2324205847872256
Energy: 1.3355164661663503
Energy: 1.2781671481911068
Energy: 1.3355164661637835
Energy: 1.2324205847872256
Energy: 1.335516466164639
Energy: 1.2343403568631608
Energy: 1.3987849196759712
Energy: 1.206406265326226
Energy: 1.3987849196759712
Energy: 1.234340356864016
Energy: 1.3987849196759712
Energy: 1.2344019092075578
Energy: 1.5291604511420498
Energy: 1.2067179923380964
Energy: 1.5291604511420498
Energy: 1.234401909206702
Energy: 1.5291604511420498
Energy: 1.322985484055187
Energy: 1.4089907033917708
Energy: 1.310952341140135
Energy: 1.4089907033909153
Energy: 1.3229854840560422
Energy: 1.4089907033909153
Energy: 1.206175400817966
Energy: 1.3763211905202815
Energy: 1.2065656909683249
Energy: 1.3763211905202815
Energy: 1.2061754008188217
Energy: 1.3763211905194255
Energy: 1.251431994029692
Energy: 1.3458399238040697
Energy: 1.2190940508885884
Energy: 1.3458399238040697
Energy: 1.251431994029692
Energy: 1.3458399238040697
Energy: 1.232627436660506
Energy: 1.301251471920844
Energy: 1.2059300170622231
Energy: 1.3012514719216994
Energy: 1.232627436660506
Energy: 1.301251471920844
Energy: 1.2067052088612145
Energy: 1.3212688093873468
Energy: 1.2181511358565773
Energy: 1.3212688093856355
Energy: 1.2067052088612145
Energy: 1.3212688093847802

minimum gb energy = 1.2057515733496127 eV
minimum distance =  2.22496801880017 Angstroms
sigma value = 33


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

Energy: 0.014457170162336004
Energy: 0.015108535982867754
Energy: 1.354256873748673
Energy: 0.015108535982867754
Energy: 0.014457170162336004
Energy: 0.015108535982867754
Energy: 0.014605479454728988
Energy: 0.6564978885498332
Energy: 0.014605479455439887
Energy: 0.6564978885484508
Energy: 0.014605479455439887
Energy: 0.6564978885491618
Energy: 1.354256873748673
Energy: 0.015108535982867754
Energy: 0.014457170162336004
Energy: 0.015108535982156855
Energy: 1.354256873748673
Energy: 0.015108535982867754
Energy: 0.014605479455439887
Energy: 0.6564978885491618
Energy: 0.014605479455439887
Energy: 0.6564978885491618
Energy: 0.014605479455439887
Energy: 0.6564978885491618

minimum gb energy = 0.014457170162336004 eV
minimum distance =  2.41169356697098 Angstroms
sigma value = 1