Model name: model_name=EAM_ErcolessiAdams_1994_Al__MO_324507536345_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032082714140415
cohesive_energy=3.360264268222285
mass=26.981538
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: 0.010444235181988615
Energy: 0.41180216298359296
Energy: 0.010444235181988615
Energy: 0.41180216298359296
Energy: 0.010444235181988615
Energy: 0.41180216298359296
Energy: 0.41180216298359296
Energy: 0.534861922038881
Energy: 0.41180216298359296
Energy: 0.45924691869325135
Energy: 0.41180216298359296
Energy: 0.4592469186935035
Energy: 0.010444235181988615
Energy: 0.41180216298359296
Energy: 0.010444235182240698
Energy: 0.41180216298359296
Energy: 0.010444235181988615
Energy: 0.41180216298359296
Energy: 0.41180216298359296
Energy: 0.4592469186935035
Energy: 0.41180216298359296
Energy: 0.4592469186937555
Energy: 0.41180216298359296
Energy: 0.4592469186935035
Energy: 0.010444235181988615
Energy: 0.41180216298359296
Energy: 0.010444235182240698
Energy: 0.41180216298359296
Energy: 0.010444235181988615
Energy: 0.41180216298359296
Energy: 0.41180216298359296
Energy: 0.4592469186935035
Energy: 0.41180216298359296
Energy: 0.4592469186935035
Energy: 0.41180216298359296
Energy: 0.4592469186935035

minimum gb energy = 0.010444235181988615 eV
minimum distance =  2.58959579696503 Angstroms
sigma value = 1


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

Energy: 0.5446586991805532
Energy: 0.5525878918553326
Energy: 0.5446586991805532
Energy: 0.5525878918553326
Energy: 0.5446586991805532
Energy: 0.5525878918547258
Energy: 0.611492712600329
Energy: 0.48783987663145584
Energy: 0.611492712600329
Energy: 0.48783987663145584
Energy: 0.611492712600329
Energy: 0.48783987663145584
Energy: 0.5232354742641229
Energy: 0.5596334372104351
Energy: 0.5232354742647297
Energy: 0.5596334372110419
Energy: 0.5232354742641229
Energy: 0.5596334372116487
Energy: 0.5931035085868646
Energy: 0.5022176940715694
Energy: 0.5931035085868646
Energy: 0.5022176940715694
Energy: 0.5931035085868646
Energy: 0.5022176940715694
Energy: 0.5292039473268216
Energy: 0.5674122426726732
Energy: 0.5292039473262147
Energy: 0.5674122426726732
Energy: 0.5292039473268216
Energy: 0.5674122426726732
Energy: 0.5460131835170884
Energy: 0.49702967425390854
Energy: 0.5460131835164816
Energy: 0.49702967425390854
Energy: 0.5460131835164816
Energy: 0.49702967425390854
Energy: 0.5284734990904812
Energy: 0.5407678954937288
Energy: 0.5284734990904812
Energy: 0.5407678954943356
Energy: 0.5284734990904812
Energy: 0.5407678954943356
Energy: 0.5006519605144434
Energy: 0.5844734933156632
Energy: 0.5006519605144434
Energy: 0.5844734933162701
Energy: 0.5006519605150502
Energy: 0.5844734933150566
Energy: 0.5606179874918062
Energy: 0.5359011993935205
Energy: 0.5606179874918062
Energy: 0.5359011993935205
Energy: 0.5606179874911994
Energy: 0.5359011993941274
Energy: 0.4844132287169212
Energy: 0.5550713562971206
Energy: 0.4844132287169212
Energy: 0.5550713562971206
Energy: 0.4844132287169212
Energy: 0.5550713562946934
Energy: 0.6200605510962799
Energy: 0.4863589492583822
Energy: 0.6200605510968866
Energy: 0.4863589492583822
Energy: 0.6200605510968866
Energy: 0.4863589492583822
Energy: 0.48552152531601644
Energy: 0.6373413852764168
Energy: 0.48552152531601644
Energy: 0.6373413852764168
Energy: 0.48552152531662324
Energy: 0.6373413852764168
Energy: 0.5836478314724413
Energy: 0.4785879832206977
Energy: 0.5836478314712277
Energy: 0.4785879832206977
Energy: 0.5836478314712277
Energy: 0.4785879832206977
Energy: 0.5056312064468039
Energy: 0.5102936578811641
Energy: 0.5056312064468039
Energy: 0.5102936578787368
Energy: 0.5056312064461972
Energy: 0.510293657881771
Energy: 0.6208923536847456
Energy: 0.49291328438702875
Energy: 0.6208923536847456
Energy: 0.49291328438763554
Energy: 0.6208923536847456
Energy: 0.49291328438702875
Energy: 0.5921589787650428
Energy: 0.5582925610030177
Energy: 0.5921589787650428
Energy: 0.5582925610024109
Energy: 0.5921589787650428
Energy: 0.5582925610024109
Energy: 0.52868445026541
Energy: 0.5193219235311309
Energy: 0.52868445026541
Energy: 0.5193219235311309
Energy: 0.5286844502660167
Energy: 0.519321923530524
Energy: 0.5246518299994782
Energy: 0.529691998636042
Energy: 0.5246518300006918
Energy: 0.5296919986354351
Energy: 0.5246518299982647
Energy: 0.529691998636042
Energy: 0.49475279248059045
Energy: 0.5045102894587113
Energy: 0.4947527924799837
Energy: 0.5045102894587113
Energy: 0.49475279248059045
Energy: 0.5045102894568909
Energy: 0.5841916634086842
Energy: 0.4971328844053273
Energy: 0.5841916634092912
Energy: 0.4971328844053273
Energy: 0.5841916634086842
Energy: 0.4971328844053273
Energy: 0.502691463558971
Energy: 0.6528356283172184
Energy: 0.502691463558971
Energy: 0.6528356283172184
Energy: 0.502691463558971
Energy: 0.6528356283172184
Energy: 0.5442395198391777
Energy: 0.5352749385610905
Energy: 0.5442395198397847
Energy: 0.5352749385610905
Energy: 0.544239519838571
Energy: 0.5352749385610905
Energy: 0.47574182031038553
Energy: 0.5739339152710173
Energy: 0.47574182031038553
Energy: 0.5739339152698038
Energy: 0.47574182031038553
Energy: 0.5739339152691969

minimum gb energy = 0.47574182031038553 eV
minimum distance =  2.58795564872762 Angstroms
sigma value = 33


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

Energy: 0.5130907833707299
Energy: 0.5333969956152058
Energy: 0.5130907833700398
Energy: 0.5333969956089933
Energy: 0.5130907833700398
Energy: 0.533396995610719
Energy: 0.556892489327218
Energy: 0.5160116915994288
Energy: 0.5568924893285986
Energy: 0.5160116915990837
Energy: 0.5568924893289436
Energy: 0.5160116915994288
Energy: 0.4980956863832144
Energy: 0.5186095993479907
Energy: 0.4980956863832144
Energy: 0.5186095993483358
Energy: 0.4980956863828693
Energy: 0.5186095993490262
Energy: 0.5215607922588125
Energy: 0.5502099582845945
Energy: 0.5215607922598479
Energy: 0.5502099582845945
Energy: 0.521560792260193
Energy: 0.5502099582845945
Energy: 0.49983795601530956
Energy: 0.5923088816033079
Energy: 0.4998379560149644
Energy: 0.5923088816033079
Energy: 0.4998379560142741
Energy: 0.5923088816033079
Energy: 0.5307076320533893
Energy: 0.4971079660509744
Energy: 0.5307076320533893
Energy: 0.4971079660509744
Energy: 0.5307076320540797
Energy: 0.49710796605062924
Energy: 0.5368912575888882
Energy: 0.5139488914320557
Energy: 0.5368912575868174
Energy: 0.5139488914348168
Energy: 0.5368912575823306
Energy: 0.5139488914337813
Energy: 0.4868323334603574
Energy: 0.5141602677675539
Energy: 0.4868323334603574
Energy: 0.5141602677672086
Energy: 0.48683233346070254
Energy: 0.514160267759992
Energy: 0.5172985395018763
Energy: 0.4959735421704753
Energy: 0.5172985395022215
Energy: 0.4959735421704753
Energy: 0.5172985395018763
Energy: 0.4959735421704753
Energy: 0.4618140965649236
Energy: 0.5725072034906064
Energy: 0.4618140965649236
Energy: 0.572507203489916
Energy: 0.46181409656526873
Energy: 0.5725072034906064
Energy: 0.5692534579075825
Energy: 0.45351964440633463
Energy: 0.5692534579051666
Energy: 0.45351964440633463
Energy: 0.5692534579079278
Energy: 0.45351964440633463
Energy: 0.48213922245467516
Energy: 0.5151362974551638
Energy: 0.48213922245467516
Energy: 0.5151362974548186
Energy: 0.4821392224553655
Energy: 0.5151362974548186
Energy: 0.5148326327651964
Energy: 0.48649481898771163
Energy: 0.514832632764161
Energy: 0.4864948189884019
Energy: 0.5148326327645062
Energy: 0.4864948189884019
Energy: 0.5170230108023822
Energy: 0.5368234328878088
Energy: 0.5170230108027275
Energy: 0.5368234328902247
Energy: 0.5170230108027275
Energy: 0.536823432890915
Energy: 0.5316168049730596
Energy: 0.5305134912589913
Energy: 0.5316168049778915
Energy: 0.5305134912586461
Energy: 0.531616804978927
Energy: 0.5305134912586461
Energy: 0.4958525665487456
Energy: 0.5002743124819762
Energy: 0.4958525665497811
Energy: 0.5002743124712767
Energy: 0.4958525665473651
Energy: 0.5002743124716219
Energy: 0.5574316922872249
Energy: 0.5207656559170901
Energy: 0.5574316922865347
Energy: 0.5207656559174352
Energy: 0.5574316922868798
Energy: 0.5207656559177803
Energy: 0.5185186507893581
Energy: 0.49612375409698983
Energy: 0.5185186507890129
Energy: 0.4961237540962995
Energy: 0.518518650784526
Energy: 0.4961237540956092
Energy: 0.5038731936439117
Energy: 0.5302212721164806
Energy: 0.503873193644602
Energy: 0.5302212721154452
Energy: 0.5038731936439117
Energy: 0.5302212721157903
Energy: 0.5349937401040469
Energy: 0.5139914228799728
Energy: 0.5349937401023211
Energy: 0.5139914228799728
Energy: 0.5349937401026663
Energy: 0.513991422880318
Energy: 0.4885417502103719
Energy: 0.5150709457880126
Energy: 0.48854175020968155
Energy: 0.5150709457918091
Energy: 0.4885417502093365
Energy: 0.5150709457911189
Energy: 0.49974121954356104
Energy: 0.4957934660026621
Energy: 0.499741219572208
Energy: 0.4957934660026621
Energy: 0.499741219594611
Energy: 0.495793466002317
Energy: 0.4518649846735201
Energy: 0.5781004273414588
Energy: 0.4518649846735201
Energy: 0.5781004273411138
Energy: 0.4518649846731749
Energy: 0.5781004273421493
Energy: 0.5698154466625776
Energy: 0.5008551625455963
Energy: 0.569815446661542
Energy: 0.5008551625459415
Energy: 0.5698154466622324
Energy: 0.5008551625459415
Energy: 0.498038776538631
Energy: 0.5026331556830795
Energy: 0.498038776538631
Energy: 0.50263315568377
Energy: 0.49803877653897605
Energy: 0.502633155686531
Energy: 0.5141112158885146
Energy: 0.5754574077771931
Energy: 0.5141112158885146
Energy: 0.5754574077771931
Energy: 0.5141112158874791
Energy: 0.5754574077771931
Energy: 0.51393586503837
Energy: 0.5753359614801975
Energy: 0.5139358650366443
Energy: 0.5753359614798524
Energy: 0.5139358650366443
Energy: 0.5753359614798524
Energy: 0.4981058599130354
Energy: 0.5026734986029621
Energy: 0.4981058599133805
Energy: 0.5026734986008913
Energy: 0.4981058599133805
Energy: 0.5026734986008913
Energy: 0.5696648254291106
Energy: 0.5009968739204195
Energy: 0.5696648254294557
Energy: 0.5009968739207646
Energy: 0.5696648254287655
Energy: 0.5009968739204195
Energy: 0.4518266242508679
Energy: 0.5792236000582046
Energy: 0.4518266242508679
Energy: 0.5792236000702846
Energy: 0.451826624251213
Energy: 0.5792236000937231
Energy: 0.4998206186312142
Energy: 0.49588835341132365
Energy: 0.4998206186225856
Energy: 0.4958883534116687
Energy: 0.4998206186201695
Energy: 0.49588835341132365
Energy: 0.48855307539946247
Energy: 0.5149820879377619
Energy: 0.4885530753998076
Energy: 0.514982087928443
Energy: 0.4885530753998076
Energy: 0.514982087933275
Energy: 0.5350498417927433
Energy: 0.5139666296566917
Energy: 0.5350498417900135
Energy: 0.5139666296566917
Energy: 0.5350498417889781
Energy: 0.5139666296570369
Energy: 0.5034251449518873
Energy: 0.530261713843755
Energy: 0.5034251449532678
Energy: 0.5302617138434098
Energy: 0.5034251449539583
Energy: 0.5302617138409937
Energy: 0.5183219329018045
Energy: 0.49678387416726294
Energy: 0.5183219328997337
Energy: 0.49678387416726294
Energy: 0.5183219328986982
Energy: 0.49678387416726294
Energy: 0.5235186346133789
Energy: 0.5207420363859051
Energy: 0.5235186346133789
Energy: 0.5207420363862503
Energy: 0.5235186346137239
Energy: 0.5207420363865954
Energy: 0.495946717465759
Energy: 0.500663811740855
Energy: 0.49594671746644925
Energy: 0.5006638117436162
Energy: 0.49594671746782987
Energy: 0.5006638117429258
Energy: 0.5311329905604986
Energy: 0.5305947262276498
Energy: 0.5311329905570785
Energy: 0.5305947262283401
Energy: 0.5311329905570785
Energy: 0.530594726227995
Energy: 0.5169739587022
Energy: 0.5369591298224347
Energy: 0.5169739587022
Energy: 0.5369591298224347
Energy: 0.5169739587025451
Energy: 0.5369591298207089
Energy: 0.5143457952776608
Energy: 0.486411410135161
Energy: 0.5143457952766255
Energy: 0.486411410135161
Energy: 0.5143457952766255
Energy: 0.48641141013550604
Energy: 0.48223054225744416
Energy: 0.5152302325566998
Energy: 0.4822305422539927
Energy: 0.5152302325570448
Energy: 0.48223054225433787
Energy: 0.5152302325570448

minimum gb energy = 0.4518266242508679 eV
minimum distance =  2.67422513267706 Angstroms
sigma value = 51


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

Energy: 0.5422984294321425
Energy: 0.5536468926233061
Energy: 0.5422984294321425
Energy: 0.5536468926233061
Energy: 0.5422984294321425
Energy: 0.5536468926233061
Energy: 0.5874996891302174
Energy: 0.4933461193041432
Energy: 0.5874996891309989
Energy: 0.4933461193041432
Energy: 0.5874996891309989
Energy: 0.4933461193041432
Energy: 0.4959630658858358
Energy: 0.543822484211056
Energy: 0.49596306588503614
Energy: 0.5438224842062578
Energy: 0.4959630658842364
Energy: 0.5438224842086568
Energy: 0.5136507208444917
Energy: 0.4730373511079741
Energy: 0.5136507208444917
Energy: 0.4730373511079741
Energy: 0.5136507208436921
Energy: 0.4730373511079741
Energy: 0.5518358543103706
Energy: 0.5244245758345928
Energy: 0.5518358543103706
Energy: 0.5244245758345928
Energy: 0.5518358543103706
Energy: 0.5244245758345928
Energy: 0.5662338554508268
Energy: 0.5243777419399117
Energy: 0.5662338554508268
Energy: 0.5243777419399117
Energy: 0.5662338554508268
Energy: 0.5243777419399117
Energy: 0.5375145544165685
Energy: 0.526730034322244
Energy: 0.5375145544165685
Energy: 0.5267300343230438
Energy: 0.5375145544165685
Energy: 0.5267300343230438
Energy: 0.48450436242097067
Energy: 0.5249365916948323
Energy: 0.48450436242097067
Energy: 0.5249365916948323
Energy: 0.4845043624201709
Energy: 0.5249365916940327
Energy: 0.60138176880287
Energy: 0.4673034086210616
Energy: 0.60138176880287
Energy: 0.4673034086210616
Energy: 0.6013817688036697
Energy: 0.4673034086202619
Energy: 0.49303397599395565
Energy: 0.6146763348229564
Energy: 0.49303397599395565
Energy: 0.6146763348229564
Energy: 0.49303397599395565
Energy: 0.6146763348229564
Energy: 0.6077040054224674
Energy: 0.4759354556646741
Energy: 0.6077040054200683
Energy: 0.4759354556646741
Energy: 0.607704005420868
Energy: 0.4759354556646741
Energy: 0.5531297972940834
Energy: 0.5549367565562094
Energy: 0.5531297972948831
Energy: 0.5549367565562094
Energy: 0.5531297972948831
Energy: 0.5549367565562094
Energy: 0.6181563194175779
Energy: 0.4948061909709802
Energy: 0.6181563194175779
Energy: 0.4948061909709802
Energy: 0.6181563194175779
Energy: 0.4948061909709802
Energy: 0.48612601860363525
Energy: 0.5196745477681873
Energy: 0.4861260186028356
Energy: 0.519674547766588
Energy: 0.4861260186028356
Energy: 0.5196745477617897
Energy: 0.521034516569071
Energy: 0.5403591435053786
Energy: 0.5210345165682713
Energy: 0.5403591435053786
Energy: 0.5210345165682713
Energy: 0.5403591435045788
Energy: 0.571038773835171
Energy: 0.5242249130749591
Energy: 0.5710387738343712
Energy: 0.5242249130757588
Energy: 0.571038773835171
Energy: 0.5242249130749591
Energy: 0.5333074879729737
Energy: 0.6087964622613803
Energy: 0.5333074879729737
Energy: 0.6087964622613803
Energy: 0.5333074879729737
Energy: 0.6087964622605806
Energy: 0.5036800612441874
Energy: 0.5240676367945596
Energy: 0.5036800612441874
Energy: 0.5240676367945596
Energy: 0.5036800612433878
Energy: 0.5240676367945596

minimum gb energy = 0.4673034086202619 eV
minimum distance =  2.58245288752967 Angstroms
sigma value = 19


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

Energy: 0.4845609607745385
Energy: 0.4489583785997104
Energy: 0.46315463834057774
Energy: 0.4489583785997104
Energy: 0.4845609607750127
Energy: 0.4489583785982873
Energy: 0.5761243500377625
Energy: 0.5526407482135861
Energy: 0.5761243500382369
Energy: 0.5526407482131118
Energy: 0.5761243500377625
Energy: 0.5526407482131118
Energy: 0.4167752491784277
Energy: 0.5695584448566502
Energy: 0.41677524917558156
Energy: 0.5695584448571246
Energy: 0.4167752491784277
Energy: 0.5695584448566502
Energy: 0.5445106096952687
Energy: 0.41675483434923666
Energy: 0.5445106096962173
Energy: 0.4167548343487623
Energy: 0.5445106096962173
Energy: 0.41675483434923666
Energy: 0.4541842558803753
Energy: 0.49802650358186557
Energy: 0.4541842558813241
Energy: 0.4980265035809168
Energy: 0.4541842558803753
Energy: 0.4980265035804425
Energy: 0.43070918674101033
Energy: 0.49792994124239914
Energy: 0.43070918674053593
Energy: 0.49792994124239914
Energy: 0.43070918674290776
Energy: 0.49792994124192486
Energy: 0.5109973507893061
Energy: 0.41683166751156653
Energy: 0.5109973507883574
Energy: 0.41683166751156653
Energy: 0.5109973507893061
Energy: 0.4168316675110922
Energy: 0.4167783140189741
Energy: 0.5474261089563792
Energy: 0.4167814846259451
Energy: 0.5474261089563792
Energy: 0.4167783140189741
Energy: 0.5474261089559049
Energy: 0.48182606804234546
Energy: 0.5744361549978771
Energy: 0.4818260680451915
Energy: 0.5744361549983514
Energy: 0.48182606804234546
Energy: 0.5744361549955054
Energy: 0.46315463834010345
Energy: 0.44895837860065907
Energy: 0.46315463834057774
Energy: 0.44895837860065907
Energy: 0.46315463834010345
Energy: 0.4489583785997104
Energy: 0.5761243500391856
Energy: 0.5526407482140604
Energy: 0.5761243500391856
Energy: 0.5526407482140604
Energy: 0.5761243500387112
Energy: 0.5526407482135861
Energy: 0.4167752491779534
Energy: 0.5695584448566502
Energy: 0.4167752491751073
Energy: 0.5695584448571246
Energy: 0.4167752491779534
Energy: 0.5695584448566502
Energy: 0.5445106096957429
Energy: 0.4167509217741675
Energy: 0.5445106096957429
Energy: 0.4167509217741675
Energy: 0.5445106096952687
Energy: 0.4167509217746418
Energy: 0.4541842558794266
Energy: 0.49802650358139117
Energy: 0.45418425587990097
Energy: 0.4980265035804425
Energy: 0.4541842558794266
Energy: 0.4980265035809168
Energy: 0.4307091867414847
Energy: 0.49792994124287354
Energy: 0.4307091867443308
Energy: 0.49792994124287354
Energy: 0.4307091867376899
Energy: 0.49792994124239914
Energy: 0.5109973507888318
Energy: 0.4168316675106178
Energy: 0.5109973507874087
Energy: 0.4168316675106178
Energy: 0.5109973507883574
Energy: 0.4168316675106178
Energy: 0.41680276854037474
Energy: 0.5474261089568537
Energy: 0.41673721975341926
Energy: 0.5474261089582767
Energy: 0.41680276854037474
Energy: 0.5474261089582767
Energy: 0.4838777293068972
Energy: 0.5744361549978771
Energy: 0.48182606804187106
Energy: 0.5744361549978771
Energy: 0.48387772930737166
Energy: 0.574436154995031
Energy: 0.48456096077311533
Energy: 0.4489583785997104
Energy: 0.46315463834057774
Energy: 0.4489583785997104
Energy: 0.48456096077358973
Energy: 0.44895837859876164
Energy: 0.5761243500377625
Energy: 0.5526407482121629
Energy: 0.5761243500377625
Energy: 0.5526407482121629
Energy: 0.5761243500377625
Energy: 0.5526407482116886
Energy: 0.416775249177479
Energy: 0.5695584448580733
Energy: 0.4167752491746328
Energy: 0.5695584448585477
Energy: 0.416775249177479
Energy: 0.5695584448580733
Energy: 0.5445106096971661
Energy: 0.41675483434828786
Energy: 0.5445106096971661
Energy: 0.41675483434828786
Energy: 0.5445106096962173
Energy: 0.4167548343487623
Energy: 0.4541842558784779
Energy: 0.4980265035809168
Energy: 0.4541842558794266
Energy: 0.49802650358139117
Energy: 0.4541842558789523
Energy: 0.49802650357901945
Energy: 0.4307091867414847
Energy: 0.49792994124192486
Energy: 0.43070918673674113
Energy: 0.49792994124192486
Energy: 0.43070918674053593
Energy: 0.49792994124192486
Energy: 0.5109973507888318
Energy: 0.4168316675106178
Energy: 0.5109973507874087
Energy: 0.4168316675106178
Energy: 0.5109973507888318
Energy: 0.4168316675106178
Energy: 0.41677831401802534
Energy: 0.5474261089540075
Energy: 0.41678148462641956
Energy: 0.547426108957328
Energy: 0.41677831401802534
Energy: 0.547426108957328
Energy: 0.4818260680409223
Energy: 0.5744361549974027
Energy: 0.48182606804281974
Energy: 0.5744361549978771
Energy: 0.48182606804329414
Energy: 0.574436154995031
Energy: 0.46315463833915477
Energy: 0.44895837860065907
Energy: 0.46315463834057774
Energy: 0.44895837860065907
Energy: 0.46315463834010345
Energy: 0.4489583785997104
Energy: 0.5761243500377625
Energy: 0.5526407482126373
Energy: 0.5761243500382369
Energy: 0.5526407482121629
Energy: 0.5761243500382369
Energy: 0.5526407482121629
Energy: 0.4167752491779534
Energy: 0.5695584448557015
Energy: 0.41677524917558156
Energy: 0.5695584448557015
Energy: 0.4167752491779534
Energy: 0.5695584448561758

minimum gb energy = 0.41673721975341926 eV
minimum distance =  2.58141291402047 Angstroms
sigma value = 27


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

Energy: 0.47320170807998013
Energy: 0.4558346124878017
Energy: 0.47320170807998013
Energy: 0.4558346124878017
Energy: 0.47320170807998013
Energy: 0.4558346124878017
Energy: 0.5316616053943034
Energy: 0.48282886430502203
Energy: 0.5316616053908177
Energy: 0.48282886430502203
Energy: 0.5316616053896558
Energy: 0.48282886430502203
Energy: 0.4097604545454524
Energy: 0.5170798422382891
Energy: 0.4097604546151416
Energy: 0.5170798422348033
Energy: 0.40976045526436866
Energy: 0.5170798422359653
Energy: 0.4588160261533179
Energy: 0.3962038801390938
Energy: 0.45881602615447986
Energy: 0.3962038801390938
Energy: 0.4588160261533179
Energy: 0.39620388014022934
Energy: 0.4949250083297581
Energy: 0.4211766403172934
Energy: 0.49492500832859615
Energy: 0.42117664031613145
Energy: 0.49492500832859615
Energy: 0.42117664031613145
Energy: 0.4667445717496787
Energy: 0.5170940725934846
Energy: 0.4667445717496787
Energy: 0.5170940725934846
Energy: 0.4667445717508406
Energy: 0.5170940725923227
Energy: 0.4313426205335169
Energy: 0.4545800165789078
Energy: 0.4313426205335169
Energy: 0.4545800165789078
Energy: 0.4313426205346789
Energy: 0.4545800165800697
Energy: 0.457711350733246
Energy: 0.4306731679485135
Energy: 0.457711350733246
Energy: 0.4306731679485135
Energy: 0.4577113507320841
Energy: 0.4306731679485135
Energy: 0.4786368177791551
Energy: 0.4386692706218428
Energy: 0.478636817781479
Energy: 0.4386692706218428
Energy: 0.478636817781479
Energy: 0.43866927062068084
Energy: 0.45889567889460664
Energy: 0.5083739130354239
Energy: 0.45889567889460664
Energy: 0.5083739130365857
Energy: 0.45889567889460664
Energy: 0.5083739130354239
Energy: 0.4930933603534516
Energy: 0.39593619618909903
Energy: 0.4930933603534516
Energy: 0.39593619618909903
Energy: 0.4305128705750175
Energy: 0.39593619618909903
Energy: 0.49285826507166514
Energy: 0.47818633793685
Energy: 0.49285826507166514
Energy: 0.47818633793685
Energy: 0.49285826507166514
Energy: 0.4781863379380119

minimum gb energy = 0.39593619618909903 eV
minimum distance =  2.57264773767192 Angstroms
sigma value = 9


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

Energy: 0.42016248331467926
Energy: 0.4029579558959398
Energy: 0.4201624833150057
Energy: 0.4029579558972457
Energy: 0.4201624833140263
Energy: 0.40295795589528693
Energy: 0.571094701036104
Energy: 0.39445982904066623
Energy: 0.5710947010383894
Energy: 0.3756425914135764
Energy: 0.5710947010364306
Energy: 0.37564259141194406
Energy: 0.3676521475483023
Energy: 0.5780670471717193
Energy: 0.3676521475483023
Energy: 0.5780670471723722
Energy: 0.3676521475486288
Energy: 0.5780670471723722
Energy: 0.4058925871859391
Energy: 0.38412264609551006
Energy: 0.40589258718561266
Energy: 0.38412264609551006
Energy: 0.40589258718626564
Energy: 0.38412264609518354
Energy: 0.3984176587572278
Energy: 0.3830043303429661
Energy: 0.39841765875755425
Energy: 0.3830043303423131
Energy: 0.3984176587559218
Energy: 0.38300433034263953
Energy: 0.4094057213928406
Energy: 0.39845676435847316
Energy: 0.4094057213752111
Energy: 0.398456764360432
Energy: 0.40940572139999337
Energy: 0.39845676436141136
Energy: 0.3990239996373568
Energy: 0.4415064216264521
Energy: 0.39902399963765356
Energy: 0.44150642162612563
Energy: 0.3990239996379801
Energy: 0.44150642162547266
Energy: 0.36471305951806915
Energy: 0.44577560850979414
Energy: 0.36471305951774263
Energy: 0.4457756085101206
Energy: 0.36471305951741617
Energy: 0.4457756085101206
Energy: 0.5156781638519788
Energy: 0.3822751531204341
Energy: 0.5156781638519788
Energy: 0.3822751531207606
Energy: 0.5156781638496936
Energy: 0.38227515312174
Energy: 0.4047737074707959
Energy: 0.5253475164007138
Energy: 0.4047737074711224
Energy: 0.5253475163954902
Energy: 0.4047737074714488
Energy: 0.525347516398102
Energy: 0.406420081022682
Energy: 0.39173951915542465
Energy: 0.4064200810230084
Energy: 0.39173951915542465
Energy: 0.4064200810236614
Energy: 0.3917395191550982
Energy: 0.3615430994578126
Energy: 0.42336664369756444
Energy: 0.36154309945748614
Energy: 0.4233666436940029
Energy: 0.3615430994578126
Energy: 0.4233666436942997
Energy: 0.41662042809461325
Energy: 0.38268725516198615
Energy: 0.416620428138331
Energy: 0.3826872551616597
Energy: 0.41662042808938965
Energy: 0.38268725516068025
Energy: 0.4208984519207571
Energy: 0.499656332859317
Energy: 0.4208984519240218
Energy: 0.4996563328550728
Energy: 0.42089845192271597
Energy: 0.49965633285441985
Energy: 0.38567302945408033
Energy: 0.41655011945800213
Energy: 0.3856730294544068
Energy: 0.4165501194576756
Energy: 0.3856730294544068
Energy: 0.4165501194583286
Energy: 0.37419690258351096
Energy: 0.402848796842026
Energy: 0.37419690258024624
Energy: 0.402848796835823
Energy: 0.3741969025815521
Energy: 0.4028487968322318
Energy: 0.4711751340108973
Energy: 0.4882521294717717
Energy: 0.47117513401122374
Energy: 0.48825212947144525
Energy: 0.4711751340105708
Energy: 0.4882521294701393
Energy: 0.39326972431346907
Energy: 0.3872853246547123
Energy: 0.39326972431346907
Energy: 0.3872853246547123
Energy: 0.39326972431346907
Energy: 0.3872853246547123
Energy: 0.3674731424738143
Energy: 0.5308469711616536
Energy: 0.3674731424731613
Energy: 0.5308469711623065
Energy: 0.3674731424738143
Energy: 0.53084697116198
Energy: 0.4711326158989309
Energy: 0.3521248536403702
Energy: 0.47113261590023686
Energy: 0.35212485363971735
Energy: 0.47113261589991035
Energy: 0.35212485363971735
Energy: 0.367383037016561
Energy: 0.5311643039851586
Energy: 0.36738303701623454
Energy: 0.5311643039858116
Energy: 0.36738303701590813
Energy: 0.5311643039851586
Energy: 0.39324842561602485
Energy: 0.387483716764898
Energy: 0.3932484256163513
Energy: 0.3874837167645715
Energy: 0.39324842561667783
Energy: 0.3874837167645715
Energy: 0.4711708571539776
Energy: 0.48811905244940806
Energy: 0.4711708571546306
Energy: 0.4881190524497345
Energy: 0.47117085715299817
Energy: 0.48811905245071396
Energy: 0.3742660406956873
Energy: 0.40330273370217695
Energy: 0.3742660406924225
Energy: 0.4033027337044623
Energy: 0.37426604069503433
Energy: 0.40330273369989167
Energy: 0.3857656986072075
Energy: 0.41645484300042757
Energy: 0.385765698606881
Energy: 0.416454843001407
Energy: 0.385765698606881
Energy: 0.41645484299977464
Energy: 0.4208567313402669
Energy: 0.4017915971147654
Energy: 0.4208567313402669
Energy: 0.40179159711509194
Energy: 0.4208567313402669
Energy: 0.4017915971154184
Energy: 0.41678509484350434
Energy: 0.38244014942582116
Energy: 0.41678509484285137
Energy: 0.3824401494287594
Energy: 0.4167850948438308
Energy: 0.3824401494290859
Energy: 0.3615167884373076
Energy: 0.4070224569165782
Energy: 0.36151678843665463
Energy: 0.4070224569152723
Energy: 0.36151678843600166
Energy: 0.40702245691690464
Energy: 0.40641894888039615
Energy: 0.39154231216238455
Energy: 0.4064189488807226
Energy: 0.39154231216238455
Energy: 0.40641894888006963
Energy: 0.39154231216238455
Energy: 0.4047832498223069
Energy: 0.4893757589397493
Energy: 0.404783249821654
Energy: 0.4893757589381169
Energy: 0.4047832498223069
Energy: 0.4893757589351786
Energy: 0.5156854045415951
Energy: 0.3823579105511068
Energy: 0.5156854045402891
Energy: 0.38235791055535095
Energy: 0.5156854045406157
Energy: 0.3823579105524127
Energy: 0.3646300536443293
Energy: 0.44581524501710296
Energy: 0.3646300536443293
Energy: 0.4458152450167765
Energy: 0.3646300536443293
Energy: 0.4458152450167765
Energy: 0.39893819490629906
Energy: 0.4415788083043803
Energy: 0.39893819490564614
Energy: 0.44157880830340096
Energy: 0.3989381949043402
Energy: 0.4415788083037274
Energy: 0.4096475428534943
Energy: 0.38835778612617283
Energy: 0.4096475428538207
Energy: 0.3883577861274787
Energy: 0.40964754285316785
Energy: 0.3883577861287846
Energy: 0.3983347918381009
Energy: 0.3833259340554856
Energy: 0.3983347918397333
Energy: 0.38332593405257703
Energy: 0.3983347918390803
Energy: 0.3833259340541797
Energy: 0.40558517057024795
Energy: 0.3840039135490878
Energy: 0.40558517056992155
Energy: 0.38400391354941427
Energy: 0.4055851705695951
Energy: 0.38400391354941427
Energy: 0.3677883755361386
Energy: 0.5781996458846151
Energy: 0.3677883755361386
Energy: 0.5781996458842886
Energy: 0.36778837553646504
Energy: 0.5781996458839622
Energy: 0.571299430896983
Energy: 0.3682360042394063
Energy: 0.5712994308956771
Energy: 0.3682360042394063
Energy: 0.5712994308982888
Energy: 0.3682360042394063
Energy: 0.42016248331076156
Energy: 0.4029579558965928
Energy: 0.42016248331076156
Energy: 0.4029579558943075
Energy: 0.4201624833101086
Energy: 0.40295795589300165
Energy: 0.5710947010367571
Energy: 0.37564259141618817
Energy: 0.5710947010393689
Energy: 0.37564259141618817
Energy: 0.5710947010383894
Energy: 0.3756425914165147
Energy: 0.36765214754895525
Energy: 0.5780670471726987
Energy: 0.36765214754895525
Energy: 0.5780670471743311
Energy: 0.36765214754895525
Energy: 0.5780670471736782
Energy: 0.4058925871849598
Energy: 0.3841226460948571
Energy: 0.4058925871846333
Energy: 0.3841226460945306
Energy: 0.4058925871846333
Energy: 0.38412264609518354
Energy: 0.39841765875657476
Energy: 0.3830043303432925
Energy: 0.3984176587578807
Energy: 0.38300433034263953
Energy: 0.39841765875690127
Energy: 0.3830043303423131

minimum gb energy = 0.35212485363971735 eV
minimum distance =  2.64591172004848 Angstroms
sigma value = 57


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

Energy: 0.27474358200470694
Energy: 0.2442690298476905
Energy: 0.14317941129909326
Energy: 0.24426902984917684
Energy: 0.27474358200396376
Energy: 0.24426902984843368
Energy: 0.3455425952838234
Energy: 0.24690289183350445
Energy: 0.3455425952845666
Energy: 0.24610699057557583
Energy: 0.34554259528605297
Energy: 0.24690289183201805
Energy: 0.28367882633938013
Energy: 0.32022763626000894
Energy: 0.28367882633715064
Energy: 0.36445454401498834
Energy: 0.2836788263349211
Energy: 0.3202276362577794
Energy: 0.24508704748084933
Energy: 0.20879133611200576
Energy: 0.245087047479363
Energy: 0.14334239825592907
Energy: 0.245087047479363
Energy: 0.20879133610977627
Energy: 0.24188108436130418
Energy: 0.34467871657780147
Energy: 0.24188108436130418
Energy: 0.344678716575572
Energy: 0.24188108436056102
Energy: 0.34467871657780147
Energy: 0.1433764160514375
Energy: 0.2834239502542192
Energy: 0.14337641604846485
Energy: 0.28342395025347605
Energy: 0.14337641605069434
Energy: 0.28342395025347605
Energy: 0.14402714257015262
Energy: 0.1845848572133056
Energy: 0.14402714256643676
Energy: 0.1845848572133056
Energy: 0.14402714256346408
Energy: 0.18458485721033294
Energy: 0.3458258500956298
Energy: 0.2413742828870687
Energy: 0.34582585009340033
Energy: 0.24137428288855503
Energy: 0.3458258500941435
Energy: 0.24137428289004137
Energy: 0.24565369301398549
Energy: 0.14336184872854044
Energy: 0.24565369301398549
Energy: 0.2088191729142772
Energy: 0.24565369301249915
Energy: 0.14336184872854044
Energy: 0.1847366895639467
Energy: 0.30881559270230247
Energy: 0.18473668956097403
Energy: 0.30881559270304565
Energy: 0.18473668956320352
Energy: 0.30881559270304565
Energy: 0.24204757318547626
Energy: 0.324672733234208
Energy: 0.24204757318324677
Energy: 0.3246727332379238
Energy: 0.24204757318547626
Energy: 0.32467273323569434
Energy: 0.27474358200322063
Energy: 0.2442690298469473
Energy: 0.14317941129909326
Energy: 0.24426902984992002
Energy: 0.27474358200322063
Energy: 0.24426902984917684
Energy: 0.3455425952838234
Energy: 0.24690289183573394
Energy: 0.3455425952845666
Energy: 0.24610699058152122
Energy: 0.34554259528605297
Energy: 0.24690289183350445
Energy: 0.28367882633863695
Energy: 0.3202276362562931
Energy: 0.28367882633715064
Energy: 0.36445454400384075
Energy: 0.28367882633640745
Energy: 0.32022763625703626
Energy: 0.24508704748010618
Energy: 0.20879133611200576
Energy: 0.245087047479363
Energy: 0.14334239825667222
Energy: 0.245087047479363
Energy: 0.20879133611051942
Energy: 0.24188108436130418
Energy: 0.34467871657631516
Energy: 0.24188108436204736
Energy: 0.3446787165740856
Energy: 0.24188108436130418
Energy: 0.34467871657631516
Energy: 0.1433764160514375
Energy: 0.28342395025496236
Energy: 0.14337641604846485
Energy: 0.28342395025347605
Energy: 0.14337641605069434
Energy: 0.2834239502527328
Energy: 0.14402714256940943
Energy: 0.18458485721181925
Energy: 0.14402714256717994
Energy: 0.18458485721256243
Energy: 0.14402714256346408
Energy: 0.18458485720958975
Energy: 0.34582585009637307
Energy: 0.24137428288781188
Energy: 0.34582585009340033
Energy: 0.24137428288855503
Energy: 0.3458258500956298
Energy: 0.2413742828892982

minimum gb energy = 0.14317941129909326 eV
minimum distance =  2.76307701966781 Angstroms
sigma value = 11


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

Energy: 0.37119324579783375
Energy: 0.38254297403387677
Energy: 0.37119324579783375
Energy: 0.3825429740333325
Energy: 0.3711932457983781
Energy: 0.38254297403387677
Energy: 0.4288759712027299
Energy: 0.35495337296964635
Energy: 0.42887597120164117
Energy: 0.35495337296964635
Energy: 0.42887597120218546
Energy: 0.35495337296964635
Energy: 0.40708067632578576
Energy: 0.5412884028140422
Energy: 0.40708067632578576
Energy: 0.5412884028145866
Energy: 0.40708067632578576
Energy: 0.5412884028145866
Energy: 0.4196696277021008
Energy: 0.3374440955106512
Energy: 0.4196696277021008
Energy: 0.3374440955111956
Energy: 0.4196696277015564
Energy: 0.3374440955106512
Energy: 0.36905015219650733
Energy: 0.31526856921022406
Energy: 0.36905015219650733
Energy: 0.31526856921076846
Energy: 0.36905015219650733
Energy: 0.31526856921022406
Energy: 0.3897356469123514
Energy: 0.3974616672132228
Energy: 0.3897356469128958
Energy: 0.3974616672132228
Energy: 0.3897356469128958
Energy: 0.39746166721376724
Energy: 0.3239225428489239
Energy: 0.4637870994303453
Energy: 0.3239225428489239
Energy: 0.46378709942980084
Energy: 0.3239225428500126
Energy: 0.4637870994303453
Energy: 0.3894165438575985
Energy: 0.2974894865813446
Energy: 0.3894165438575985
Energy: 0.2974894865813446
Energy: 0.3894165438575985
Energy: 0.29748948658188906
Energy: 0.3881794060295557
Energy: 0.29519900542388683
Energy: 0.3881794060295557
Energy: 0.2951990054233424
Energy: 0.3881794060295557
Energy: 0.2951990054233424
Energy: 0.31301946878615944
Energy: 0.4681388772320601
Energy: 0.31301946878724823
Energy: 0.4681388772315157
Energy: 0.3130194687882875
Energy: 0.4681388772320601
Energy: 0.5016913363232717
Energy: 0.46105367513709516
Energy: 0.5016913363232717
Energy: 0.46105367513709516
Energy: 0.5016913363232717
Energy: 0.46105367513709516
Energy: 0.3563569648327418
Energy: 0.31227611527654725
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Energy: 0.356356964834375
Energy: 0.31227611527654725
Energy: 0.3980459282586053
Energy: 0.3389855881089046
Energy: 0.39804592825914964
Energy: 0.33898558810944895
Energy: 0.39804592825914964
Energy: 0.3389855881089046
Energy: 0.4127174238925758
Energy: 0.5237347603862126
Energy: 0.412717423894209
Energy: 0.5237347603856682
Energy: 0.4127174238958422
Energy: 0.5237347603862126
Energy: 0.4913868814372036
Energy: 0.3567699346432291
Energy: 0.49138688143774795
Energy: 0.3567699346432291
Energy: 0.49138688143665915
Energy: 0.3567699346432291
Energy: 0.37133079085900933
Energy: 0.3831791814727473
Energy: 0.3713307908595536
Energy: 0.3831791814716586
Energy: 0.37133079085900933
Energy: 0.3831791814716586
Energy: 0.34342794763908857
Energy: 0.35332431947428994
Energy: 0.34342794763908857
Energy: 0.35332431947483434
Energy: 0.34342794764017737
Energy: 0.35332431947428994
Energy: 0.46469117942245025
Energy: 0.5340161898931419
Energy: 0.46469117942190585
Energy: 0.5340161898925976
Energy: 0.46469117942190585
Energy: 0.5340161898920531
Energy: 0.4198178112014863
Energy: 0.33687475858785987
Energy: 0.41981781120094197
Energy: 0.3368747585889486
Energy: 0.4198178112014863
Energy: 0.3368747585884042
Energy: 0.3615970823494289
Energy: 0.35752850049843105
Energy: 0.3615970823488845
Energy: 0.35752850049897544
Energy: 0.3615970823488845
Energy: 0.35752850049897544
Energy: 0.3096059229376718
Energy: 0.39916002723338373
Energy: 0.3096059229376718
Energy: 0.39916002723338373
Energy: 0.3096059229376718
Energy: 0.39916002723338373
Energy: 0.39705327228387666
Energy: 0.42680852537153036
Energy: 0.39705327228333226
Energy: 0.42680852537207475
Energy: 0.39705327228387666
Energy: 0.4268085253704416
Energy: 0.41985005741342646
Energy: 0.3644535056361167
Energy: 0.41985005741288206
Energy: 0.3644535056361167
Energy: 0.41985005741342646
Energy: 0.3644535056361167
Energy: 0.3883568172216292
Energy: 0.3393762398741496
Energy: 0.3883568172227179
Energy: 0.3393762398741496
Energy: 0.3883568172221735
Energy: 0.3393762398741496
Energy: 0.31064498756328807
Energy: 0.4660539773706674
Energy: 0.31064498756328807
Energy: 0.4660539773750224
Energy: 0.31064498756274367
Energy: 0.4660539773782888
Energy: 0.5572859830857947
Energy: 0.4625296259777694
Energy: 0.5572859830868835
Energy: 0.4625296259777694
Energy: 0.5572859830852503
Energy: 0.4625296259783139

minimum gb energy = 0.2951990054233424 eV
minimum distance =  2.64473123244094 Angstroms
sigma value = 41


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

Energy: 0.42038430965513657
Energy: 0.3478100133873704
Energy: 0.42038430965470747
Energy: 0.3478100133877995
Energy: 0.42038430965470747
Energy: 0.3478100133873704
Energy: 0.43820685289644695
Energy: 0.4123367164789102
Energy: 0.4382068528973051
Energy: 0.4123367164793393
Energy: 0.43820685289644695
Energy: 0.4123367164789102
Energy: 0.4983568070847297
Energy: 0.6022037899183172
Energy: 0.49835680708215524
Energy: 0.6022037899183172
Energy: 0.4983568070825844
Energy: 0.6022037899178881
Energy: 0.386969869335167
Energy: 0.33658938998931287
Energy: 0.3869698693355961
Energy: 0.3365893899897419
Energy: 0.386969869335167
Energy: 0.33658938998931287
Energy: 0.3075544714460861
Energy: 0.3764961047191341
Energy: 0.30755447144565706
Energy: 0.3764961047191341
Energy: 0.3075544714460861
Energy: 0.3764961047191341
Energy: 0.43421493297356195
Energy: 0.4939764317112544
Energy: 0.43421493297356195
Energy: 0.4939764317112544
Energy: 0.43421493297399105
Energy: 0.49397643171168343
Energy: 0.3519790874796296
Energy: 0.5111690698323144
Energy: 0.35197908747920054
Energy: 0.5111690698323144
Energy: 0.35197908747920054
Energy: 0.5111690698327435
Energy: 0.34416410275477405
Energy: 0.3368025434393595
Energy: 0.344164102754345
Energy: 0.3368025434393595
Energy: 0.3441641027539159
Energy: 0.3368025434397886
Energy: 0.31776203781356765
Energy: 0.3715163474876951
Energy: 0.31776203781356765
Energy: 0.3715163474876951
Energy: 0.31776203781399676
Energy: 0.3715163474876951
Energy: 0.39164870572306176
Energy: 0.5183631951166502
Energy: 0.39164870572306176
Energy: 0.5183631951162211
Energy: 0.39164870572263266
Energy: 0.5183631951162211
Energy: 0.39150355916181384
Energy: 0.5185128880625218
Energy: 0.3915035591669627
Energy: 0.5185128880625218
Energy: 0.3915035591665337
Energy: 0.5185128880625218
Energy: 0.31603478442991545
Energy: 0.42250424774325535
Energy: 0.31603478442991545
Energy: 0.38936636091826116
Energy: 0.31603478443034455
Energy: 0.38936636091826116
Energy: 0.3382517917609746
Energy: 0.34196741678792475
Energy: 0.3382517917614037
Energy: 0.3419674167883538
Energy: 0.33825179176054554
Energy: 0.3419674167883538
Energy: 0.3165473117235901
Energy: 0.48315300351752877
Energy: 0.316547311722732
Energy: 0.48315300352010315
Energy: 0.3165473117235901
Energy: 0.4831530035205323
Energy: 0.5179998161251356
Energy: 0.49335396765135386
Energy: 0.5179998161255647
Energy: 0.493353967652212
Energy: 0.5179998161251356
Energy: 0.49335396765178297
Energy: 0.3144655834847259
Energy: 0.3989688637913544
Energy: 0.3144655834847259
Energy: 0.39896886379092533
Energy: 0.3144655834847259
Energy: 0.39896886379092533
Energy: 0.34375609708943533
Energy: 0.34199741320981164
Energy: 0.34375609708943533
Energy: 0.34199741320981164
Energy: 0.34375609708943533
Energy: 0.34199741320981164
Energy: 0.4181947851682596
Energy: 0.6035161235350457
Energy: 0.4181947851682596
Energy: 0.6035161235350457
Energy: 0.4181947851682596
Energy: 0.6035161235354747
Energy: 0.4683378175636651
Energy: 0.41279985400042085
Energy: 0.46833781756409415
Energy: 0.41279985400042085
Energy: 0.4683378175636651
Energy: 0.4127998539999918
Energy: 0.41962222107141883
Energy: 0.4516256691889035
Energy: 0.41962222107141883
Energy: 0.45162566918847447
Energy: 0.41962222107141883
Energy: 0.4535773813879447
Energy: 0.31737798788331306
Energy: 0.4128238199570099
Energy: 0.3173779878824549
Energy: 0.41282381995658085
Energy: 0.317377987882884
Energy: 0.41282381995658085
Energy: 0.49763286945431806
Energy: 0.5531954532721904
Energy: 0.49763286945388896
Energy: 0.5531954532726195
Energy: 0.49763286945388896
Energy: 0.5531954532730485
Energy: 0.38784697068637447
Energy: 0.3382853884816902
Energy: 0.38784697068637447
Energy: 0.3382853884816902
Energy: 0.38784697068637447
Energy: 0.3382853884816902
Energy: 0.31436123495137713
Energy: 0.4621407138035526
Energy: 0.31436123495137713
Energy: 0.4621407138035526
Energy: 0.3143612349509481
Energy: 0.4849050038063085
Energy: 0.31664515632004386
Energy: 0.46480054328604253
Energy: 0.31664515631961476
Energy: 0.4648005432856135
Energy: 0.3166451563204729
Energy: 0.46480054328604253
Energy: 0.351829089483228
Energy: 0.3506444458175167
Energy: 0.35182908948408614
Energy: 0.3506444458136551
Energy: 0.3518290894836571
Energy: 0.35064444581837484
Energy: 0.34541185346132225
Energy: 0.3382149519208477
Energy: 0.34541185346132225
Energy: 0.3382149519208477
Energy: 0.34541185346132225
Energy: 0.3382149519208477
Energy: 0.35493637778526665
Energy: 0.44455382258829795
Energy: 0.35493637778526665
Energy: 0.44455382258829795
Energy: 0.35493637778526665
Energy: 0.4613854111171598
Energy: 0.39123048339170496
Energy: 0.42142934041484703
Energy: 0.3912304833912759
Energy: 0.421429340414418
Energy: 0.39123048339213407
Energy: 0.42142934041527613
Energy: 0.5216750021435936
Energy: 0.31597244970018074
Energy: 0.5216750021435936
Energy: 0.31597244970018074
Energy: 0.5216750021435936
Energy: 0.31597244970018074
Energy: 0.3174256808435797
Energy: 0.3891483680395563
Energy: 0.3174256808435797
Energy: 0.3891483680386982
Energy: 0.3174256808444378
Energy: 0.38914836803784003
Energy: 0.3398103359576791
Energy: 0.340633821877889
Energy: 0.3398103359581082
Energy: 0.340633821877889
Energy: 0.33981033595853727
Energy: 0.340633821877889
Energy: 0.31669527380409707
Energy: 0.40535749243013436
Energy: 0.31669527380409707
Energy: 0.4053574924305634
Energy: 0.31669527380409707
Energy: 0.4053574924297053

minimum gb energy = 0.30755447144565706 eV
minimum distance =  2.66460451255438 Angstroms
sigma value = 33


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

Energy: 0.39671155440807576
Energy: 0.3538078103160888
Energy: 0.37397619349250627
Energy: 0.3538078103160888
Energy: 0.39671155440807576
Energy: 0.3538078103209068
Energy: 0.44098730673387576
Energy: 0.35291474849639054
Energy: 0.44098730673598363
Energy: 0.35291474849639054
Energy: 0.4409873067341768
Energy: 0.35291474849639054
Energy: 0.5744344735463686
Energy: 0.5868061874080336
Energy: 0.5744344735469709
Energy: 0.5868061874083348
Energy: 0.5744344735463686
Energy: 0.586806187408636
Energy: 0.4114834613295543
Energy: 0.3636531561444966
Energy: 0.41148346133106
Energy: 0.3636531561444966
Energy: 0.41148346132654307
Energy: 0.3636531561408831
Energy: 0.35768804111356456
Energy: 0.572000517107383
Energy: 0.3576672720918225
Energy: 0.572000517107383
Energy: 0.35768804111326336
Energy: 0.5720005171046729
Energy: 0.49642565295337354
Energy: 0.3526214382749986
Energy: 0.49642565295337354
Energy: 0.3526214382746974
Energy: 0.4964256529536747
Energy: 0.3526214382752997
Energy: 0.3944621070429529
Energy: 0.48093439011573486
Energy: 0.3944621070429529
Energy: 0.4809343901139281
Energy: 0.3944621070426518
Energy: 0.48093439011182015
Energy: 0.4173229676367302
Energy: 0.41901723024688725
Energy: 0.41732296763462234
Energy: 0.41901723024718834
Energy: 0.4173229676358268
Energy: 0.419017230241467
Energy: 0.5507902827528562
Energy: 0.4100344170193749
Energy: 0.5507927434740695
Energy: 0.4100344170193749
Energy: 0.5507902827531574
Energy: 0.41003441701997717
Energy: 0.5245657175297312
Energy: 0.37362504379184536
Energy: 0.5245657175333448
Energy: 0.3736250437921464
Energy: 0.5245657175306346
Energy: 0.37362504379455547
Energy: 0.4130586443319312
Energy: 0.3912200003671186
Energy: 0.41305864433343675
Energy: 0.39122000036651644
Energy: 0.4130586443319312
Energy: 0.3912200003671186
Energy: 0.5835800043490268
Energy: 0.3638400640116367
Energy: 0.5835800043508335
Energy: 0.3638400640116367
Energy: 0.5835800043490268
Energy: 0.36384006401344343
Energy: 0.35600154638894066
Energy: 0.5499197350871573
Energy: 0.356001546387435
Energy: 0.5499197350874584
Energy: 0.3560015463886395
Energy: 0.5499197350880606
Energy: 0.4164706888069488
Energy: 0.40845341302101895
Energy: 0.4164706888075511
Energy: 0.40845341302192234
Energy: 0.4164706888069488
Energy: 0.4084534130180077
Energy: 0.41324677542210764
Energy: 0.3765300638742142
Energy: 0.4132467754236132
Energy: 0.3765300638745153
Energy: 0.41324677542210764
Energy: 0.3765300638702996
Energy: 0.3738911517857432
Energy: 0.49015343481827855
Energy: 0.37389115178724885
Energy: 0.49015343481827855
Energy: 0.3738911517857432
Energy: 0.4901534348194831
Energy: 0.5551442834830392
Energy: 0.3604202455030013
Energy: 0.5551442834818348
Energy: 0.3604202455030013
Energy: 0.5551442834830392
Energy: 0.3604202455060126
Energy: 0.36264030277696724
Energy: 0.4073044464145673
Energy: 0.362464283434768
Energy: 0.407304446413965
Energy: 0.36264030277696724
Energy: 0.4073044464133627
Energy: 0.5789046271782617
Energy: 0.5367733425462407
Energy: 0.5789046271746483
Energy: 0.5367733425465417
Energy: 0.5789046271770573
Energy: 0.5367733425474451
Energy: 0.48038332669379613
Energy: 0.3939860314970492
Energy: 0.48038332669289274
Energy: 0.39398603149674805
Energy: 0.480383326693495
Energy: 0.3939860314931345
Energy: 0.35604222598253776
Energy: 0.37441865551660697
Energy: 0.3560422259837423
Energy: 0.3744186555163058
Energy: 0.3560422259819355
Energy: 0.3744186555123912
Energy: 0.36026263178520335
Energy: 0.4391733183746855
Energy: 0.36046764141000276
Energy: 0.4391733183749866
Energy: 0.36026263178550444
Energy: 0.4391733183749866
Energy: 0.5478276987636367
Energy: 0.4824515207855271
Energy: 0.5478276987639378
Energy: 0.4824515207855271
Energy: 0.5478276987636367
Energy: 0.4824515207846237
Energy: 0.3598427787682649
Energy: 0.5085225363828038
Energy: 0.35984277876766263
Energy: 0.508522536383406
Energy: 0.3598427787682649
Energy: 0.5085225363870196
Energy: 0.36623380297258
Energy: 0.36020705309705453
Energy: 0.36623380297227887
Energy: 0.3602070530973557
Energy: 0.36623380297950586
Energy: 0.3602070531000658
Energy: 0.3542810708107259
Energy: 0.5507750544205131
Energy: 0.3542810708116293
Energy: 0.5507750544217176
Energy: 0.3542810708107259
Energy: 0.5507750544220187
Energy: 0.4229367227364091
Energy: 0.39380023830543165
Energy: 0.4229367227373124
Energy: 0.3938002383066362
Energy: 0.4229367227358068
Energy: 0.3938002383084429
Energy: 0.3994164309184519
Energy: 0.3600665801921977
Energy: 0.37620176923235205
Energy: 0.3600665801924988
Energy: 0.39941643091875306
Energy: 0.3600665801852718
Energy: 0.4094566838055339
Energy: 0.41207528032672924
Energy: 0.4094566838076418
Energy: 0.4120752803261271
Energy: 0.4094566838055339
Energy: 0.41207528032642815
Energy: 0.37683218261613416
Energy: 0.5886316867856287
Energy: 0.37683218261252066
Energy: 0.5886316867856287
Energy: 0.376832182615833
Energy: 0.5886316867889411
Energy: 0.42762896370379894
Energy: 0.36799730306709233
Energy: 0.42762896370410014
Energy: 0.3679973030673935
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Energy: 0.35968116953862217
Energy: 0.5797082583550723
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Energy: 0.5797082583553734
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Energy: 0.5797082583526633
Energy: 0.4673773715940188
Energy: 0.3517236307965958
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Energy: 0.35172363079599356
Energy: 0.4673773715949222
Energy: 0.35172363079298236
Energy: 0.4079938932567172
Energy: 0.4140753266051027
Energy: 0.407993893258524
Energy: 0.4140753266038982
Energy: 0.4079938932582229
Energy: 0.41407532660209145
Energy: 0.528529249272033
Energy: 0.4140160258922862
Energy: 0.528529249272033
Energy: 0.41401602589198494
Energy: 0.5285292492723342
Energy: 0.41401602589499625
Energy: 0.4812435012467132
Energy: 0.3726968275868818
Energy: 0.48123860828328285
Energy: 0.37269682758627964
Energy: 0.4812435012467132
Energy: 0.372696827592001
Energy: 0.35966412925897917
Energy: 0.5587417789531275
Energy: 0.3596641292580758
Energy: 0.5587417789528264
Energy: 0.3596641292586781
Energy: 0.5587417789555366
Energy: 0.4076402368407853
Energy: 0.36502149925042326
Energy: 0.4076402368419898
Energy: 0.36502149925012206
Energy: 0.4076402368410864
Energy: 0.36502149924680966
Energy: 0.4007147347318641
Energy: 0.5804871481842129
Energy: 0.40072030396007335
Energy: 0.5804871481842129
Energy: 0.4007147347318641
Energy: 0.5804871481857187
Energy: 0.39263561466919716
Energy: 0.4830050396744999
Energy: 0.39263561467040164
Energy: 0.48300503967510217
Energy: 0.39263561466889607
Energy: 0.48300503967600555
Energy: 0.37639171066126914
Energy: 0.3601448521911414
Energy: 0.3763917106615703
Energy: 0.36014485219084025
Energy: 0.3763917106618714
Energy: 0.3601448521860223
Energy: 0.4499292098451002
Energy: 0.3741860100245788
Energy: 0.44992920984479906
Energy: 0.3741860100242777
Energy: 0.4499292098451002
Energy: 0.3741860100224709
Energy: 0.38071134881502716
Energy: 0.5494244838940773
Energy: 0.38071134881623164
Energy: 0.5494244838937762
Energy: 0.380711348814726
Energy: 0.5494244838916683
Energy: 0.5480183401589138
Energy: 0.35913206285455535
Energy: 0.5480183401607206
Energy: 0.35913206285485644
Energy: 0.5480183401586127
Energy: 0.35913206285033955
Energy: 0.35959093873749803
Energy: 0.408802380299825
Energy: 0.3595830454213427
Energy: 0.4088023803004272
Energy: 0.35959093873719694
Energy: 0.4088023803010295
Energy: 0.5479268417754799
Energy: 0.47018145662464134
Energy: 0.5479268417721675
Energy: 0.47018145662313565
Energy: 0.547926841775781
Energy: 0.47018145662705035
Energy: 0.3592921868748259
Energy: 0.41524017579991496
Energy: 0.35929218687362136
Energy: 0.41524017579961386
Energy: 0.3592921868748259
Energy: 0.41524017579720485

minimum gb energy = 0.35172363079298236 eV
minimum distance =  2.65115508883721 Angstroms
sigma value = 67


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

Energy: 0.36353047943618916
Energy: 0.3478641537115548
Energy: 0.36353047943618916
Energy: 0.34786415371176066
Energy: 0.36353047943600625
Energy: 0.34786415371176066
Energy: 0.34722330789452505
Energy: 0.3416376593958713
Energy: 0.34722330789431916
Energy: 0.3416376593956655
Energy: 0.347223307894708
Energy: 0.3416376593956655
Energy: 0.4785470311914728
Energy: 0.4889942853642739
Energy: 0.5976212699885628
Energy: 0.48899428536447975
Energy: 0.5976212699885628
Energy: 0.4889942853642739
Energy: 0.34709784435990604
Energy: 0.34163575632187426
Energy: 0.34709784435990604
Energy: 0.34163575632187426
Energy: 0.34709784435990604
Energy: 0.3416357563216685
Energy: 0.3635304794349999
Energy: 0.3478641537133615
Energy: 0.36353047943518285
Energy: 0.3478641537131786
Energy: 0.36353047943538874
Energy: 0.3478641537131786
Energy: 0.3472233078941134
Energy: 0.3416376593944534
Energy: 0.34722330789431916
Energy: 0.3416376593944534
Energy: 0.34722330789431916
Energy: 0.3416376593944534
Energy: 0.3566937840570243
Energy: 0.4889942853636793
Energy: 0.3566937840570243
Energy: 0.488994285364091
Energy: 0.5976212699895691
Energy: 0.4889942853638852

minimum gb energy = 0.3416357563216685 eV
minimum distance =  2.65860268077413 Angstroms
sigma value = 3


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

Energy: 0.5923717215242381
Energy: 0.41692914442493323
Energy: 0.5923717215236904
Energy: 0.41692914442493323
Energy: 0.5923717215236904
Energy: 0.4169291444246345
Energy: 0.46332249628217703
Energy: 0.41912788913379284
Energy: 0.46332249628217703
Energy: 0.41912788913349414
Energy: 0.46332249628083255
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Energy: 0.42984367660886713
Energy: 0.5211177853169712
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Energy: 0.5211177853128381
Energy: 0.42984367660886713
Energy: 0.5211177853503334
Energy: 0.48144442871275833
Energy: 0.4148868361664167
Energy: 0.4814444287116629
Energy: 0.41053936625217624
Energy: 0.4814444287116629
Energy: 0.4105393662513795
Energy: 0.44829189458806756
Energy: 0.46208092165486014
Energy: 0.4482918945875198
Energy: 0.46208092165461123
Energy: 0.448291894587221
Energy: 0.4620809216589433
Energy: 0.42410976772218967
Energy: 0.45312389515861334
Energy: 0.42410976772218967
Energy: 0.45312389515587465
Energy: 0.42410976772248843
Energy: 0.4531238951597088
Energy: 0.5101198281284599
Energy: 0.4866770556472976
Energy: 0.5101198281295555
Energy: 0.4866770556445589
Energy: 0.5101198281284599
Energy: 0.4866770556443099
Energy: 0.47981276003146117
Energy: 0.42863690010043043
Energy: 0.47981276003146117
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Energy: 0.4215781970238155
Energy: 0.4395073297358191
Energy: 0.42157819702296895
Energy: 0.4395073297352713
Energy: 0.4215781970240645
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Energy: 0.4566963296271624
Energy: 0.45343209852591093
Energy: 0.45669632962686363
Energy: 0.4534320985267574
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Energy: 0.45343209852645866
Energy: 0.5143622016322654
Energy: 0.4690295690744353
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Energy: 0.4690295690782695
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Energy: 0.45119089091080355
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Energy: 0.44385895345425314
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Energy: 0.42235249561792326
Energy: 0.452013577416486
Energy: 0.42235249561847105
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Energy: 0.42235249561792326
Energy: 0.4520135774186769
Energy: 0.4420814792664791
Energy: 0.44717084898264065
Energy: 0.44208147926702684
Energy: 0.447170848979902
Energy: 0.44208147926618035
Energy: 0.4471708489831884
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Energy: 0.43691175629242235
Energy: 0.47957514909644955
Energy: 0.43691175629954293
Energy: 0.4795751488284564
Energy: 0.43691175629217327
Energy: 0.4590441200403367
Energy: 0.44941295261260483
Energy: 0.459044120039789
Energy: 0.4415496618113241
Energy: 0.4590441200422289
Energy: 0.44154966181187183
Energy: 0.4701022240747615
Energy: 0.4489339752614573
Energy: 0.47010222407366603
Energy: 0.44893397526066064
Energy: 0.4701022240747615
Energy: 0.4489339752625528
Energy: 0.41218224721592484
Energy: 0.5179814177908082
Energy: 0.4121822472156261
Energy: 0.5179814177902605
Energy: 0.41218224721672153
Energy: 0.5179814177900115
Energy: 0.4722443614614122
Energy: 0.5238001686234408
Energy: 0.47224436147236687
Energy: 0.5238001686237397
Energy: 0.4722443614720681
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Energy: 0.41779241604214984
Energy: 0.44402213399842727
Energy: 0.41779241604185113
Energy: 0.44402213399842727
Energy: 0.41779241604214984
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Energy: 0.44116687778503005
Energy: 0.53850690382126
Energy: 0.44116687778527897
Energy: 0.5385069038215089
Energy: 0.44116687778582675
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Energy: 0.3988687801252144
Energy: 0.5085412472017506
Energy: 0.3988687801232724
Energy: 0.5085412472015016
Energy: 0.3988687801216292
Energy: 0.5085412472001074
Energy: 0.49246799130839225
Energy: 0.4509130698810295
Energy: 0.4924679913086413
Energy: 0.45091306988018304
Energy: 0.49246799130729685
Energy: 0.4509130698807308
Energy: 0.43637326897133305
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Energy: 0.43637326897133305
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Energy: 0.43637326897103434
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Energy: 0.5386494821787587
Energy: 0.4512144984098182
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Energy: 0.4512144984100671
Energy: 0.5386494821790576
Energy: 0.4225598505534491
Energy: 0.46581246512874286
Energy: 0.4225598505523537
Energy: 0.46581246512545643
Energy: 0.42255985055205486
Energy: 0.46581246512600416
Energy: 0.4753128072009151
Energy: 0.461408732681203
Energy: 0.47531280722058383
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Energy: 0.4753128072009151
Energy: 0.4614087326809541
Energy: 0.44000506142370976
Energy: 0.4373908909074372
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Energy: 0.43739089090828376
Energy: 0.44000506142291307
Energy: 0.437390890907736
Energy: 0.46490380556656796
Energy: 0.4523166415901405
Energy: 0.46490380556656796
Energy: 0.4523166415904393
Energy: 0.46490380556656796
Energy: 0.45231664159123597
Energy: 0.46734118945963254
Energy: 0.4230776020247271
Energy: 0.46734118948841374
Energy: 0.423077602024976
Energy: 0.4673411894801977
Energy: 0.4230776020252748
Energy: 0.4946056706459973
Energy: 0.4391751998560973
Energy: 0.49460567065281913
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Energy: 0.4946056706492837
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Energy: 0.4314546260188854
Energy: 0.4163924212062443
Energy: 0.43145462601778994
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Energy: 0.4314546260183377
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Energy: 0.4410297722278155
Energy: 0.45295434886244773
Energy: 0.4410297722280645
Energy: 0.45295434886269675
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Energy: 0.48915155933831206
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Energy: 0.4891515595195635
Energy: 0.4521425155126203
Energy: 0.4891515595633328
Energy: 0.45214251551232154
Energy: 0.467003656200526
Energy: 0.4473729304960224
Energy: 0.467003656200775
Energy: 0.44737293052833904
Energy: 0.467003656200775
Energy: 0.4473729305077739
Energy: 0.44210919440315
Energy: 0.4628630592000087
Energy: 0.44210919440339896
Energy: 0.4628630592002576
Energy: 0.44210919440394675
Energy: 0.46286305920055637
Energy: 0.44367266581276016
Energy: 0.45381847357253435
Energy: 0.44367266581166476
Energy: 0.45381847357283317
Energy: 0.4436726658124614
Energy: 0.45381847357283317
Energy: 0.5323309618453793
Energy: 0.4104180219304851
Energy: 0.5323309618451303
Energy: 0.4104180219299374
Energy: 0.5323309618462259
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Energy: 0.4127908683789778
Energy: 0.48580274793315253
Energy: 0.4127908683795255
Energy: 0.4858027479604896
Energy: 0.4127908683789778
Energy: 0.48580274793315253
Energy: 0.45244677320377824
Energy: 0.4648388544542484
Energy: 0.45244677320377824
Energy: 0.46483885446052237
Energy: 0.4524467731983009
Energy: 0.46483885445315287
Energy: 0.4794659103521995
Energy: 0.45164189280761363
Energy: 0.479465910353295
Energy: 0.4516418928092569
Energy: 0.4794659103521995
Energy: 0.45164189281010336
Energy: 0.5382424523884647
Energy: 0.3966628391853009
Energy: 0.5382424523892615
Energy: 0.3966628391858487
Energy: 0.5382424523898091
Energy: 0.3966628391855997
Energy: 0.4116014997545865
Energy: 0.5551227172051038
Energy: 0.41160149975403876
Energy: 0.555122717204556
Energy: 0.41160149975349103
Energy: 0.555122717204556
Energy: 0.4810834099205811
Energy: 0.4161261869057473
Energy: 0.4810834099205811
Energy: 0.4161261869057473
Energy: 0.4810834099200334
Energy: 0.4161261869057473
Energy: 0.5269150040014674
Energy: 0.43534380341722423
Energy: 0.5269150040009196
Energy: 0.4353438034177719
Energy: 0.5269150040011685
Energy: 0.43534380341856865
Energy: 0.5045699836282254
Energy: 0.4135552262460992
Energy: 0.5045699836257854
Energy: 0.41355522624580043
Energy: 0.5045699836290718
Energy: 0.4135552262463482
Energy: 0.4339455972063929
Energy: 0.45601036640778153
Energy: 0.43394559720694065
Energy: 0.45601036640832926
Energy: 0.4339455972055963
Energy: 0.4560103664069848
Energy: 0.42963909560381225
Energy: 0.41382347891117166
Energy: 0.4296390956043599
Energy: 0.4138234789114206
Energy: 0.4296390956043599
Energy: 0.41382347891117166
Energy: 0.4795682329271214
Energy: 0.4654697622380982
Energy: 0.4795682329271214
Energy: 0.46546976223834724
Energy: 0.4795682329276692
Energy: 0.46546976223834724
Energy: 0.4704464919860422
Energy: 0.4528220929276239
Energy: 0.47044649199017513
Energy: 0.4528220928914732
Energy: 0.47044649198579325
Energy: 0.452822092910893
Energy: 0.4479608135297781
Energy: 0.4787124279460154
Energy: 0.44796081352923045
Energy: 0.4787124279454677
Energy: 0.44796081353002715
Energy: 0.4787124279429779

minimum gb energy = 0.3966628391853009 eV
minimum distance =  2.57917264936517 Angstroms
sigma value = 81


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

Energy: 0.5513266342218824
Energy: 0.43807532862820414
Energy: 0.5044024599998723
Energy: 0.43807532862858
Energy: 0.5513266342207547
Energy: 0.4380753286323388
Energy: 0.4459494566094428
Energy: 0.45516952241673314
Energy: 0.4459494566090669
Energy: 0.45539049734770487
Energy: 0.4459494566105704
Energy: 0.45516952242049186
Energy: 0.5643597773787559
Energy: 0.4586934751385073
Energy: 0.4320894125833063
Energy: 0.4586934751317755
Energy: 0.5643597773772523
Energy: 0.45869347513474845
Energy: 0.40290218119748467
Energy: 0.4551982058310205
Energy: 0.40290218119598115
Energy: 0.4551982058336517
Energy: 0.40290218119635707
Energy: 0.4551982058313964
Energy: 0.45419634180452895
Energy: 0.41772245165278354
Energy: 0.45419634180941537
Energy: 0.4177224516494006
Energy: 0.45419634181129476
Energy: 0.4177224516512801
Energy: 0.4157035409640788
Energy: 0.4173071273760802
Energy: 0.4157035409640788
Energy: 0.3804398826642512
Energy: 0.41570354096558226
Energy: 0.41730712737908726
Energy: 0.45611572145555146
Energy: 0.4144533810591537
Energy: 0.4561157214532962
Energy: 0.38214445876691727
Energy: 0.4561157214544239
Energy: 0.4144533810606572
Energy: 0.4583063048229215
Energy: 0.44086931876846963
Energy: 0.45829274146481713
Energy: 0.44086931876997326
Energy: 0.4583063048259286
Energy: 0.4408693187677179
Energy: 0.5267971303263522
Energy: 0.4455392347418802
Energy: 0.5267971303282316
Energy: 0.445539234742632
Energy: 0.5267971303263522
Energy: 0.44553923474225615
Energy: 0.47315319910809334
Energy: 0.5878273006702059
Energy: 0.4731531991058381
Energy: 0.5878273006687025
Energy: 0.4731531991069656
Energy: 0.5878273006679507
Energy: 0.44790397379582375
Energy: 0.4380191786298601
Energy: 0.44790397379582375
Energy: 0.43801917863211537
Energy: 0.4479039737931926
Energy: 0.4380191786324913
Energy: 0.37995247543750565
Energy: 0.4628601255240361
Energy: 0.3799524754378815
Energy: 0.46286012552516376
Energy: 0.3799524754386333
Energy: 0.46286012552738487
Energy: 0.4457506333297527
Energy: 0.4552276495063261
Energy: 0.4457506333312562
Energy: 0.45523503222487643
Energy: 0.4457506333301285
Energy: 0.4552276495070779
Energy: 0.44396462873584774
Energy: 0.46204362861971154
Energy: 0.4439646287362236
Energy: 0.4620436286174563
Energy: 0.44396462873584774
Energy: 0.462043628618584
Energy: 0.4710833773201112
Energy: 0.41379912118588935
Energy: 0.4710833773201112
Energy: 0.4137991211836341
Energy: 0.47108337732161476
Energy: 0.4137991211862652
Energy: 0.45835943281576735
Energy: 0.3830136931196418
Energy: 0.45835943281539143
Energy: 0.38301369312039346
Energy: 0.4583594328150155
Energy: 0.3830136931200176
Energy: 0.4782519833586479
Energy: 0.38260877337046917
Energy: 0.47825198335939956
Energy: 0.4120621152477886
Energy: 0.47825198335488905
Energy: 0.38260877337046917
Energy: 0.43744258160259825
Energy: 0.46741553986241374
Energy: 0.44722943503757645
Energy: 0.46741553986466916
Energy: 0.4374425816048535
Energy: 0.46741553986354145
Energy: 0.46308122498690946
Energy: 0.4365025665120147
Energy: 0.4630812249884129
Energy: 0.4182465124620533
Energy: 0.46308122498578175
Energy: 0.436502566511263
Energy: 0.45507602953333326
Energy: 0.49338907513981733
Energy: 0.45507602953446097
Energy: 0.493389075137562
Energy: 0.4550760295355885
Energy: 0.49338907513793795
Energy: 0.41493211050320383
Energy: 0.4552357169025949
Energy: 0.41493211050245205
Energy: 0.4552357169040985
Energy: 0.4149321105065868
Energy: 0.45523571690334674
Energy: 0.4500703095874002
Energy: 0.4412225349393037
Energy: 0.38006199903859084
Energy: 0.44122253493704844
Energy: 0.45007030958476896
Energy: 0.44122253493592084
Energy: 0.4453056944614362
Energy: 0.43338411161779006
Energy: 0.38010183897377436
Energy: 0.43338411161591067
Energy: 0.4453056944633156
Energy: 0.43338411161628654
Energy: 0.4459618061610105
Energy: 0.4554338804054248
Energy: 0.44596180615988285
Energy: 0.45532594894395373
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Energy: 0.45543388040692834
Energy: 0.44249091746656555
Energy: 0.4143309310313893
Energy: 0.44249091746318253
Energy: 0.4143309309085444
Energy: 0.4424909174635585
Energy: 0.4143309317242075
Energy: 0.5386717877493302
Energy: 0.5488381763266102
Energy: 0.5386717877508338
Energy: 0.5488381763292414
Energy: 0.5386717877523373
Energy: 0.5488381763292414
Energy: 0.44702034664050566
Energy: 0.4042650610463016
Energy: 0.44702034664012985
Energy: 0.40426506105043636
Energy: 0.4470203466415992
Energy: 0.4042650610508123
Energy: 0.43988730483960237
Energy: 0.4119209572765043
Energy: 0.4398873048388507
Energy: 0.3799526169741205
Energy: 0.43988730483960237
Energy: 0.41192095728060485
Energy: 0.45787249845717876
Energy: 0.4459749646639335
Energy: 0.4578625195949339
Energy: 0.4459749646673164
Energy: 0.457872498456427
Energy: 0.44597496466656467
Energy: 0.45543120445970636
Energy: 0.45646477173437877
Energy: 0.45543120445970636
Energy: 0.4565048148572199
Energy: 0.45543120446083396
Energy: 0.45646477173776173
Energy: 0.45513983261370394
Energy: 0.47052198021140235
Energy: 0.4551398326140798
Energy: 0.4705219802098988
Energy: 0.45513983261069696
Energy: 0.4705219802091471
Energy: 0.3828892793336617
Energy: 0.45545011828920107
Energy: 0.3828892793400517
Energy: 0.45545011829145643
Energy: 0.3828892793366688
Energy: 0.4554501182873217
Energy: 0.37998553623235853
Energy: 0.4181934457521253
Energy: 0.37998553623235853
Energy: 0.4181934457502459
Energy: 0.3799855362349897
Energy: 0.4181934457521253
Energy: 0.38128023861389726
Energy: 0.4577136064591823
Energy: 0.38128023861389726
Energy: 0.4577136064561752
Energy: 0.3812802386142731
Energy: 0.4577136064573029
Energy: 0.45459887279222994
Energy: 0.5913794490149614
Energy: 0.44283782281155687
Energy: 0.591379449019096
Energy: 0.4545988728286905
Energy: 0.591379449016089
Energy: 0.4780563425057388
Energy: 0.448583630102288
Energy: 0.4780563425042353
Energy: 0.4485836300455298
Energy: 0.4780563425046112
Energy: 0.448583630171416
Energy: 0.4580121764325469
Energy: 0.41439496031700634
Energy: 0.45801217643517805
Energy: 0.414394960318134
Energy: 0.4580121764366816
Energy: 0.4143949603166304
Energy: 0.44003445283978193
Energy: 0.3822002341411444
Energy: 0.4400344528424131
Energy: 0.41796370880735284
Energy: 0.44003445284090964
Energy: 0.3822002341411444

minimum gb energy = 0.37995247543750565 eV
minimum distance =  2.70400413805924 Angstroms
sigma value = 43


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

Energy: 0.5122636973523116
Energy: 0.4068567634759374
Energy: 0.5122636973527732
Energy: 0.4068567634759374
Energy: 0.5122636973527732
Energy: 0.4068567634759374
Energy: 0.47357537914088005
Energy: 0.3802741472318074
Energy: 0.47357537914088005
Energy: 0.38027414723273084
Energy: 0.47357537914134173
Energy: 0.3802741472318074
Energy: 0.4619393050674949
Energy: 0.4820165371667043
Energy: 0.4619393050674949
Energy: 0.48201653716762766
Energy: 0.4619393050674949
Energy: 0.4820165371667043
Energy: 0.45135034525474865
Energy: 0.39715066182117525
Energy: 0.45135034525428697
Energy: 0.39715066182117525
Energy: 0.45135034525428697
Energy: 0.3971506618207136
Energy: 0.4249952242922655
Energy: 0.41105512777996583
Energy: 0.4249952242922655
Energy: 0.4110551277804276
Energy: 0.4249952242922655
Energy: 0.4110551277771956
Energy: 0.4396373932874866
Energy: 0.41715444816938735
Energy: 0.4396373932879484
Energy: 0.4171544481698491
Energy: 0.4396373932879484
Energy: 0.417154448168464
Energy: 0.42278648685965814
Energy: 0.4712190782357697
Energy: 0.42278648685919645
Energy: 0.471219078235308
Energy: 0.42278648686058157
Energy: 0.471219078235308
Energy: 0.4696630504330967
Energy: 0.43619273717877105
Energy: 0.4696630504330967
Energy: 0.43619273717877105
Energy: 0.4696630504330967
Energy: 0.43619273717877105
Energy: 0.45661193415275364
Energy: 0.42485808752393844
Energy: 0.4566119341532153
Energy: 0.42485808752393844
Energy: 0.45661193415275364
Energy: 0.4248580875234767
Energy: 0.403436992148232
Energy: 0.47856185344881474
Energy: 0.4034369921473086
Energy: 0.47856185344881474
Energy: 0.4034369921477703
Energy: 0.47856185344835306
Energy: 0.47565310605935174
Energy: 0.41895463116356246
Energy: 0.47565310605888994
Energy: 0.41895463116356246
Energy: 0.47565310605981337
Energy: 0.41895463116402415
Energy: 0.46969174433896566
Energy: 0.4297131628947949
Energy: 0.46969174433896566
Energy: 0.4297131628934098
Energy: 0.469691744338504
Energy: 0.4297131628952566
Energy: 0.4383023415195563
Energy: 0.4175773461633532
Energy: 0.43830234151863284
Energy: 0.4175773461633532
Energy: 0.4383023415195563
Energy: 0.4175773461642766
Energy: 0.3772114424385858
Energy: 0.48354394713937177
Energy: 0.3772114424385858
Energy: 0.4835439471398334
Energy: 0.3772114424390476
Energy: 0.48354394713937177
Energy: 0.43124522914238106
Energy: 0.45167844359917975
Energy: 0.43124522913961083
Energy: 0.45167844359917975
Energy: 0.4312452291405342
Energy: 0.45167844359917975
Energy: 0.46765308109021614
Energy: 0.4460729899169854
Energy: 0.46765308109067777
Energy: 0.4460729899169854
Energy: 0.46765308109067777
Energy: 0.44607298991744704
Energy: 0.43798794815816455
Energy: 0.38026814467505793
Energy: 0.43798794815770287
Energy: 0.3802681446755196
Energy: 0.43798794815770287
Energy: 0.3802681446759813
Energy: 0.48978293910821763
Energy: 0.4019043132512748
Energy: 0.48978293910821763
Energy: 0.4019043132512748
Energy: 0.4897829391077559
Energy: 0.4019043132517365
Energy: 0.4886703589962907
Energy: 0.41263367619129426
Energy: 0.4886703589967524
Energy: 0.41263367619129426
Energy: 0.4886703589972141
Energy: 0.41263367619129426
Energy: 0.43802457613015217
Energy: 0.4368923930465077
Energy: 0.43802457613015217
Energy: 0.4368923930465077
Energy: 0.4380245761306138
Energy: 0.4368923930465077
Energy: 0.46813615226880706
Energy: 0.41411095829499595
Energy: 0.4681361522683454
Energy: 0.4141109582982278
Energy: 0.46813615226880706
Energy: 0.4141109582982278
Energy: 0.4651863896100988
Energy: 0.43687992467754844
Energy: 0.4651863896100988
Energy: 0.4368799246780101
Energy: 0.4651863896100988
Energy: 0.43687992467754844
Energy: 0.3773683551638117
Energy: 0.4420054762574093
Energy: 0.3773683551642733
Energy: 0.44200547625787107
Energy: 0.3773683551638117
Energy: 0.44200547625787107
Energy: 0.4389963009372001
Energy: 0.4860410136858244
Energy: 0.4389963009372001
Energy: 0.48604101368536273
Energy: 0.4389963009372001
Energy: 0.4860410136858244
Energy: 0.3923542866063525
Energy: 0.41707004497336103
Energy: 0.3923542866063525
Energy: 0.41707004497336103
Energy: 0.392354286607276
Energy: 0.41707004497336103
Energy: 0.46449696731147533
Energy: 0.4712405059000177
Energy: 0.46449696731193707
Energy: 0.4712405059000177
Energy: 0.46449696731193707
Energy: 0.4712405059000177
Energy: 0.41980523406280884
Energy: 0.4345235512589085
Energy: 0.41980523406234715
Energy: 0.4345235512589085
Energy: 0.41980523406280884
Energy: 0.43452355125706177
Energy: 0.45738303311548234
Energy: 0.42736535625206074
Energy: 0.45738303311548234
Energy: 0.42736535625252237
Energy: 0.45738303311548234
Energy: 0.42736535625206074
Energy: 0.3922301300128232
Energy: 0.4363419376957485
Energy: 0.39223013001328494
Energy: 0.4363419376957485
Energy: 0.3922301300128232
Energy: 0.43634193769621016
Energy: 0.4667834857929105
Energy: 0.48414044261394756
Energy: 0.46678348579337225
Energy: 0.48414044261394756
Energy: 0.4667834857924489
Energy: 0.4841404426153327
Energy: 0.4400331972080397
Energy: 0.417837049806005
Energy: 0.4400331972080397
Energy: 0.41783704980785186
Energy: 0.4400331972080397
Energy: 0.41783704980692843

minimum gb energy = 0.3772114424385858 eV
minimum distance =  2.6697187453638 Angstroms
sigma value = 57


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

Energy: 0.4272407369641249
Energy: 0.3717645153806737
Energy: 0.4272407369641249
Energy: 0.3717645153806737
Energy: 0.4272407369641249
Energy: 0.3717645153806737
Energy: 0.3950285741155193
Energy: 0.3433841438959018
Energy: 0.3950285741155193
Energy: 0.3433841438959018
Energy: 0.3950285741155193
Energy: 0.34338414389470623
Energy: 0.4501001735351752
Energy: 0.45010018371443905
Energy: 0.4501001735351752
Energy: 0.45010018371503685
Energy: 0.4501001735351752
Energy: 0.45010018371503685
Energy: 0.377115384600887
Energy: 0.40422411402032876
Energy: 0.37711538459490884
Energy: 0.4042241140209265
Energy: 0.37711538458295274
Energy: 0.40422411402032876
Energy: 0.4482927470317242
Energy: 0.4451012846352041
Energy: 0.4482927470317242
Energy: 0.44510128463460635
Energy: 0.44829274703411554
Energy: 0.4451012846340085
Energy: 0.4516645570891865
Energy: 0.3435407749337697
Energy: 0.4516645570891865
Energy: 0.3435407749343676
Energy: 0.4516645570891865
Energy: 0.3435407749343676
Energy: 0.4209146531708675
Energy: 0.5086655880867739
Energy: 0.4209146531714653
Energy: 0.5086655880867739
Energy: 0.4209146531714653
Energy: 0.5086655880867739
Energy: 0.42761730953967336
Energy: 0.37388342557398924
Energy: 0.4276173095390755
Energy: 0.37388342557398924
Energy: 0.42761730954027105
Energy: 0.37388342557398924
Energy: 0.419163005563159
Energy: 0.3962932673510163
Energy: 0.41916300556555025
Energy: 0.3962932673510163
Energy: 0.41916300556435465
Energy: 0.3962932673510163
Energy: 0.35628163674510654
Energy: 0.39653943915212175
Energy: 0.35628163674510654
Energy: 0.39653943915212175
Energy: 0.35628163674510654
Energy: 0.39653943915271944
Energy: 0.42158563535085847
Energy: 0.5306576821347441
Energy: 0.42158563535085847
Energy: 0.5306576821347441
Energy: 0.42158563535085847
Energy: 0.5306576821347441
Energy: 0.4492309262013361
Energy: 0.43441444418401054
Energy: 0.44923092620193394
Energy: 0.43441444418460834
Energy: 0.44923092620193394
Energy: 0.4344144441852062
Energy: 0.41512107249501784
Energy: 0.3965228988725169
Energy: 0.41512107249501784
Energy: 0.3965228988731147
Energy: 0.41512107249501784
Energy: 0.3965228988731147
Energy: 0.48814685191706186
Energy: 0.3487530156892645
Energy: 0.48814685191706186
Energy: 0.3487530156898623
Energy: 0.48814685191646406
Energy: 0.3487530156892645
Energy: 0.42038572049285916
Energy: 0.3720032633245851
Energy: 0.42038572049345696
Energy: 0.37200326332578076
Energy: 0.42038572049285916
Energy: 0.37200326332578076
Energy: 0.42021639829802077
Energy: 0.39363884974618363
Energy: 0.42021639829981416
Energy: 0.3936388497473793
Energy: 0.4202163982944339
Energy: 0.3936388497467815
Energy: 0.3533133517138557
Energy: 0.3953180640207343
Energy: 0.3533133517138557
Energy: 0.3953180640207343
Energy: 0.3533133517138557
Energy: 0.3953180640207343
Energy: 0.41916089042261157
Energy: 0.35361941726826784
Energy: 0.4191608904238071
Energy: 0.35361941726826784
Energy: 0.4191608904232093
Energy: 0.3536194172676701
Energy: 0.35319752363224105
Energy: 0.3953458752244729
Energy: 0.3531975236310454
Energy: 0.3953458752244729
Energy: 0.35319752363283874
Energy: 0.3953458752250707
Energy: 0.4203674650855047
Energy: 0.3936098104580815
Energy: 0.42036746508729816
Energy: 0.3936098104568859
Energy: 0.4203674650855047
Energy: 0.3936098104568859
Energy: 0.4204514045817811
Energy: 0.37200944334077735
Energy: 0.420451404606889
Energy: 0.3720094433413751
Energy: 0.4204514045823789
Energy: 0.37200944334077735
Energy: 0.4883654694219262
Energy: 0.5386092317188413
Energy: 0.4883654694231218
Energy: 0.5386092317188413
Energy: 0.48836546942371967
Energy: 0.5386092317194393
Energy: 0.4150972845296807
Energy: 0.39632187002280067
Energy: 0.4150972845296807
Energy: 0.3963218700222028
Energy: 0.4150972845296807
Energy: 0.3963218700233984
Energy: 0.44919784357116077
Energy: 0.43539134667046503
Energy: 0.44919784357116077
Energy: 0.4353913466710629
Energy: 0.4491978435705629
Energy: 0.43539134667046503

minimum gb energy = 0.34338414389470623 eV
minimum distance =  2.64620039426925 Angstroms
sigma value = 17


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

Energy: 0.4192052831443029
Energy: 0.36472298259383473
Energy: 0.4192052831443029
Energy: 0.36472298259383473
Energy: 0.4192052831443029
Energy: 0.36472298259383473
Energy: 0.3709493711396545
Energy: 0.4265501539329382
Energy: 0.3709493711396545
Energy: 0.4265501539329382
Energy: 0.37094937113880905
Energy: 0.4265501539329382
Energy: 0.4131085536046423
Energy: 0.40434016592927857
Energy: 0.4131085536046423
Energy: 0.40434016592927857
Energy: 0.4131085536037969
Energy: 0.40434016592927857
Energy: 0.3808577409573634
Energy: 0.4985151881302261
Energy: 0.3808577409573634
Energy: 0.4985151881302261
Energy: 0.3808577409573634
Energy: 0.4985151881302261
Energy: 0.42487320988265936
Energy: 0.3799957231987647
Energy: 0.42487320988265936
Energy: 0.37999572319961017
Energy: 0.42487320988265936
Energy: 0.3799957232004556
Energy: 0.45388392536704897
Energy: 0.4062836910096079
Energy: 0.4538839253678943
Energy: 0.4062836910096079
Energy: 0.4538839253678943
Energy: 0.4062836910096079
Energy: 0.39351507513191575
Energy: 0.43975581802603214
Energy: 0.39351507513191575
Energy: 0.43975581802603214
Energy: 0.39351507513276107
Energy: 0.43975581802603214
Energy: 0.3808745173129418
Energy: 0.42342372365479297
Energy: 0.3808745173146327
Energy: 0.4234237236463388
Energy: 0.3808745173137872
Energy: 0.4234237236269132
Energy: 0.3941298784320514
Energy: 0.4262129606703555
Energy: 0.3941298784320514
Energy: 0.4262129606703555
Energy: 0.39412987843289676
Energy: 0.4262129606703555
Energy: 0.45840543868565764
Energy: 0.4335809195838108
Energy: 0.4584054386848314
Energy: 0.4335809195838108
Energy: 0.45840543868565764
Energy: 0.4335809195838108
Energy: 0.44978623110360205
Energy: 0.383180327529254
Energy: 0.44978623110360205
Energy: 0.383180327529254
Energy: 0.44978623110360205
Energy: 0.383180327529254
Energy: 0.40687145124031826
Energy: 0.3946221602652549
Energy: 0.40687145124031826
Energy: 0.3946221602644094
Energy: 0.40687145124031826
Energy: 0.3946221602644094
Energy: 0.40979027855615147
Energy: 0.40459151504038793
Energy: 0.40979027855615147
Energy: 0.40459151504038793
Energy: 0.40979027855615147
Energy: 0.40459151503954255
Energy: 0.37245855086212165
Energy: 0.39989225519708443
Energy: 0.37245855086212165
Energy: 0.3998922551979298
Energy: 0.37245855086212165
Energy: 0.39989225519708443
Energy: 0.3692279439507679
Energy: 0.4085504999959917
Energy: 0.3692279439507679
Energy: 0.4085504999959917
Energy: 0.3692279439507679
Energy: 0.40855049999430076
Energy: 0.4533254145175102
Energy: 0.5358500263290733
Energy: 0.4533254145175102
Energy: 0.5358500263282279
Energy: 0.4533254145175102
Energy: 0.5358500263282279
Energy: 0.3713925050479771
Energy: 0.39857357057838866
Energy: 0.3713925050479771
Energy: 0.39857357057838866
Energy: 0.3713925050479771
Energy: 0.39857357057838866

minimum gb energy = 0.36472298259383473 eV
minimum distance =  2.66956556676556 Angstroms
sigma value = 17


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

Energy: 0.39268117169633776
Energy: 0.3500860147391096
Energy: 0.3926811716960113
Energy: 0.35008601474074197
Energy: 0.3926811716956848
Energy: 0.35008601473845663
Energy: 0.36574882292558103
Energy: 0.39032547060348227
Energy: 0.36574882292234595
Energy: 0.3903254706031558
Energy: 0.365748822921693
Energy: 0.39032547060348227
Energy: 0.3971698573455006
Energy: 0.3715902996776414
Energy: 0.3971698573455006
Energy: 0.37159029967796786
Energy: 0.39716985734582705
Energy: 0.3715902996776414
Energy: 0.3672960588143783
Energy: 0.3699982354726862
Energy: 0.36729605881078714
Energy: 0.36999823547301264
Energy: 0.36729605881013416
Energy: 0.36999823547301264
Energy: 0.38284715395498103
Energy: 0.3918799406506162
Energy: 0.38283803501503083
Energy: 0.39187994064931037
Energy: 0.3826450662393519
Energy: 0.39187994064931037
Energy: 0.36518722464535036
Energy: 0.3630565438258844
Energy: 0.36518722464535036
Energy: 0.36305654382751684
Energy: 0.36518722464469744
Energy: 0.36305654382621094
Energy: 0.35276263928539126
Energy: 0.409480819601126
Energy: 0.35276263932424157
Energy: 0.40948081960145255
Energy: 0.3527626392893089
Energy: 0.4094808196007996
Energy: 0.39892089950523446
Energy: 0.41879186930169915
Energy: 0.3989208995068668
Energy: 0.4187918693036579
Energy: 0.39892089950327564
Energy: 0.4187918693026786
Energy: 0.43766215916746665
Energy: 0.36736275118509626
Energy: 0.43766215916779316
Energy: 0.367362751182158
Energy: 0.43766215916779316
Energy: 0.36736275118019923
Energy: 0.35338031419295546
Energy: 0.3730005000263796
Energy: 0.3533803141939349
Energy: 0.37300050002670604
Energy: 0.35338031419295546
Energy: 0.3730005000263796
Energy: 0.3193134434398385
Energy: 0.3393851323102844
Energy: 0.3193134434336355
Energy: 0.3391691013934153
Energy: 0.31931344344016493
Energy: 0.33852643189709136
Energy: 0.39693439058865393
Energy: 0.3969313831992931
Energy: 0.3969343905889804
Energy: 0.3969313831996195
Energy: 0.39693439058963337
Energy: 0.3969313831992931
Energy: 0.4189023888314177
Energy: 0.39728688496254916
Energy: 0.4189023888314177
Energy: 0.3972868849612432
Energy: 0.4189023888317442
Energy: 0.39728688496254916
Energy: 0.4103773664887555
Energy: 0.35167408563667496
Energy: 0.4103773664884291
Energy: 0.35167408563961317
Energy: 0.41037736648810264
Energy: 0.3516740856356955
Energy: 0.388444936981262
Energy: 0.381610972541346
Energy: 0.38844493697865023
Energy: 0.3816109725416724
Energy: 0.3884449369809355
Energy: 0.3816109725433048
Energy: 0.382643676701889
Energy: 0.36684065761596696
Energy: 0.38264367670221544
Energy: 0.3668406576071522
Energy: 0.38264367670221544
Energy: 0.3668406576081316
Energy: 0.35000742862325424
Energy: 0.36268901673084974
Energy: 0.35000742862194834
Energy: 0.36268901673052323
Energy: 0.350007428620316
Energy: 0.36268901673052323
Energy: 0.4227989691297956
Energy: 0.381028062980464
Energy: 0.42279896912848974
Energy: 0.3810280629791581
Energy: 0.42279896912816317
Energy: 0.38102806298111697
Energy: 0.410563832008704
Energy: 0.36372289905498006
Energy: 0.4105638320083775
Energy: 0.3637228990526947
Energy: 0.410563832008704
Energy: 0.3637228990530212
Energy: 0.3494853132955296
Energy: 0.37505792050953807
Energy: 0.3494853132955296
Energy: 0.37505792050986453
Energy: 0.3494853132945502
Energy: 0.37505792050953807
Energy: 0.4106185731849873
Energy: 0.363952787614249
Energy: 0.41061857318466083
Energy: 0.363952787614249
Energy: 0.41061857318400785
Energy: 0.36395278761294314
Energy: 0.42277071704335595
Energy: 0.3809027074275201
Energy: 0.4227707170423765
Energy: 0.3809027074271936
Energy: 0.4227707170430295
Energy: 0.3809027074301319
Energy: 0.3500446689609534
Energy: 0.36256236384387847
Energy: 0.3500446689612798
Energy: 0.36256236384387847
Energy: 0.3500446689612798
Energy: 0.36256236384387847
Energy: 0.38232493831849396
Energy: 0.40239733374009845
Energy: 0.3823249383188205
Energy: 0.40239733374009845
Energy: 0.38232493831784103
Energy: 0.40239733373977193
Energy: 0.3884480758487265
Energy: 0.3813146655824543
Energy: 0.3884480758487265
Energy: 0.3813146655827808
Energy: 0.38844807584742064
Energy: 0.38131466558343374
Energy: 0.41054319599281447
Energy: 0.3517314197889901
Energy: 0.41054319599183503
Energy: 0.3517314197889901
Energy: 0.41054319599281447
Energy: 0.3517314197883371
Energy: 0.41884389882810635
Energy: 0.41583991886176863
Energy: 0.4188438988271269
Energy: 0.41583991886176863
Energy: 0.4188438988274535
Energy: 0.41583991886176863
Energy: 0.3969007741417841
Energy: 0.395929346248869
Energy: 0.396900774142437
Energy: 0.395929346248869
Energy: 0.3969007741434164
Energy: 0.39592934624854254
Energy: 0.31920412500339246
Energy: 0.3383188788860045
Energy: 0.31920412500404544
Energy: 0.3383833809694079
Energy: 0.3192041250043719
Energy: 0.33842078214203053
Energy: 0.35352337742322726
Energy: 0.37297204087141816
Energy: 0.35352337742322726
Energy: 0.37297204087141816
Energy: 0.3535233774219214
Energy: 0.37297204087141816
Energy: 0.4377576978019563
Energy: 0.367503308606622
Energy: 0.4377576978016298
Energy: 0.3675033086046631
Energy: 0.4377576978022827
Energy: 0.367503308605969
Energy: 0.3990690924604709
Energy: 0.41879370616736705
Energy: 0.39906909246177674
Energy: 0.41879370616899947
Energy: 0.39906909246242966
Energy: 0.41879370616997885
Energy: 0.3535793896951035
Energy: 0.4093165748223857
Energy: 0.35357938969085934
Energy: 0.4093165748227122
Energy: 0.35357938969738884
Energy: 0.4093165748227122
Energy: 0.36526301483731116
Energy: 0.33610081917982937
Energy: 0.3652630148369847
Energy: 0.3361008191795029
Energy: 0.3652630148376377
Energy: 0.33610081917982937
Energy: 0.3825948889317689
Energy: 0.3919544136866839
Energy: 0.38259566457548505
Energy: 0.39195441368472506
Energy: 0.38259329603321696
Energy: 0.3919544136827662
Energy: 0.3673128858801844
Energy: 0.4388108530677394
Energy: 0.36731288587887856
Energy: 0.4388108530674129
Energy: 0.36731288587887856
Energy: 0.4388108530680659
Energy: 0.39705104613236014
Energy: 0.37158614707649046
Energy: 0.3970510461326866
Energy: 0.3715861470771434
Energy: 0.3970510461326866
Energy: 0.3715861470774699
Energy: 0.36575173857165577
Energy: 0.37366187040738186
Energy: 0.36575173857230875
Energy: 0.37366187040738186
Energy: 0.36575173857165577
Energy: 0.37366187040803484
Energy: 0.3926811716979701
Energy: 0.35008601474139495
Energy: 0.39268117169764366
Energy: 0.3500860147430273
Energy: 0.39268117169699074
Energy: 0.35008601474106843
Energy: 0.36574882293961936
Energy: 0.3928036989065133
Energy: 0.3657488229278663
Energy: 0.3928036989065133
Energy: 0.36574882293047817
Energy: 0.3928036989071662
Energy: 0.3971698573448476
Energy: 0.37159029968055
Energy: 0.3971698573448476
Energy: 0.371590299681203
Energy: 0.3971698573448476
Energy: 0.37159029967989704
Energy: 0.3672960588150313
Energy: 0.3611078672776533
Energy: 0.3672960588143783
Energy: 0.36110786727993865
Energy: 0.3672960588117666
Energy: 0.3611078672779798
Energy: 0.3828471734828129
Energy: 0.3918799406473515
Energy: 0.3828373297365549
Energy: 0.391879940647678
Energy: 0.3826451969316339
Energy: 0.3918799406473515

minimum gb energy = 0.31920412500339246 eV
minimum distance =  2.64544829317211 Angstroms
sigma value = 57


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

Energy: 0.3690762121431587
Energy: 0.33219395363510723
Energy: 0.3690762121420955
Energy: 0.33219395363563875
Energy: 0.3690762121410324
Energy: 0.3321939536361704
Energy: 0.3424889036075191
Energy: 0.36958519676606977
Energy: 0.342488903602735
Energy: 0.36958519676553814
Energy: 0.3424889036128349
Energy: 0.36958519676606977
Energy: 0.3991405608786597
Energy: 0.3536338691325282
Energy: 0.40230220077735784
Energy: 0.35363386913305983
Energy: 0.39914056087812816
Energy: 0.3536338691325282
Energy: 0.3526978706221711
Energy: 0.3717686154033204
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Energy: 0.3717686154033204
Energy: 0.3526978706232343
Energy: 0.37176861540278877
Energy: 0.43235036842234675
Energy: 0.34496803686985467
Energy: 0.4323503684090574
Energy: 0.34496803687038624
Energy: 0.43235036841384156
Energy: 0.34496803687038624
Energy: 0.35619717671725876
Energy: 0.32289094763756543
Energy: 0.3561971767167271
Energy: 0.32289094763916015
Energy: 0.3561971767167271
Energy: 0.32289094763916015
Energy: 0.3560224675112852
Energy: 0.3902980623043571
Energy: 0.3560224675091589
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Energy: 0.3560224675118167
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Energy: 0.35594306196468045
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Energy: 0.3911226163751292
Energy: 0.3771502297953389
Energy: 0.38066640826631387
Energy: 0.3771502297926811
Energy: 0.3806664082668454
Energy: 0.37715022979640217
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Energy: 0.3844897258093227
Energy: 0.397523342496639
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Energy: 0.397523342496639
Energy: 0.38448972580347535
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Energy: 0.3692773520069866
Energy: 0.36495025928586944
Energy: 0.3692773520091129
Energy: 0.36495025928586944
Energy: 0.3692773520075181
Energy: 0.3649502592853378
Energy: 0.36319056541435923
Energy: 0.35884207358107945
Energy: 0.36319056541435923
Energy: 0.3588420735794847
Energy: 0.36319056541595396
Energy: 0.3588420735789532
Energy: 0.363976907890911
Energy: 0.36342176468820353
Energy: 0.3639769078925057
Energy: 0.36342176468820353
Energy: 0.36397690789941617
Energy: 0.36342176468873505
Energy: 0.39811959363539223
Energy: 0.36005700136551905
Energy: 0.3981195936359238
Energy: 0.3600570013649875
Energy: 0.3981195936359238
Energy: 0.36005700136551905
Energy: 0.3554575505099307
Energy: 0.3588606805489407
Energy: 0.3554575505099307
Energy: 0.35886068055425646
Energy: 0.3554575505099307
Energy: 0.35886068055106707
Energy: 0.3352255379516443
Energy: 0.3405446935707532
Energy: 0.3352255379500495
Energy: 0.3405446935707532
Energy: 0.33522553795217586
Energy: 0.3405446935707532
Energy: 0.38551314693911143
Energy: 0.46843434273021556
Energy: 0.3855131469407062
Energy: 0.4684343427328734
Energy: 0.3855131469412377
Energy: 0.46843434272813755
Energy: 0.3856130665438898
Energy: 0.45953951299926526
Energy: 0.38561306654442146
Energy: 0.45953951299979684
Energy: 0.38561306654442146
Energy: 0.45953951300032847
Energy: 0.330588016933275
Energy: 0.3409716695087813
Energy: 0.33058801693221185
Energy: 0.3409716695093129
Energy: 0.330588016933275
Energy: 0.3409716695087813
Energy: 0.3627644236994897
Energy: 0.3596046684290332
Energy: 0.3627644236994897
Energy: 0.3596046684274385
Energy: 0.3627644236989581
Energy: 0.3596046684300964

minimum gb energy = 0.32289094763756543 eV
minimum distance =  2.64545200729019 Angstroms
sigma value = 43


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

Energy: 0.42950464998844184
Energy: 0.3112539225239755
Energy: 0.4295046499880546
Energy: 0.3112539225239755
Energy: 0.42950464998844184
Energy: 0.3112539225239755
Energy: 0.3506087253698009
Energy: 0.3392880378979315
Energy: 0.3506087253690263
Energy: 0.33928803789715684
Energy: 0.3506087253694136
Energy: 0.3392880378975442
Energy: 0.3511302733575818
Energy: 0.35050453217166144
Energy: 0.3511302733579691
Energy: 0.3505045321720487
Energy: 0.3511302733575818
Energy: 0.3505045321720487
Energy: 0.40929354162388554
Energy: 0.3326513366595791
Energy: 0.409293541623111
Energy: 0.3326513366599664
Energy: 0.409293541623111
Energy: 0.3326513366595791
Energy: 0.4143046856714547
Energy: 0.32959244236362323
Energy: 0.4143046856706801
Energy: 0.32959244236439783
Energy: 0.4143046856721941
Energy: 0.32959244236362323
Energy: 0.32373578512263623
Energy: 0.2986362652781178
Energy: 0.32373578512263623
Energy: 0.2986362652785052
Energy: 0.32373578512263623
Energy: 0.2986362652785052
Energy: 0.3390441734861579
Energy: 0.35032580882009895
Energy: 0.33904417348693255
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Energy: 0.3390441734888691
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Energy: 0.4289476447421923
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Energy: 0.4289476447441289
Energy: 0.3293110632238942
Energy: 0.3074682987358153
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Energy: 0.297510825103967
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Energy: 0.3051895674281484
Energy: 0.33074347450286673
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Energy: 0.39280957913049
Energy: 0.3633689755304251
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Energy: 0.36336897552926317
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Energy: 0.36336897553003783
Energy: 0.33402662498259716
Energy: 0.2973957263446264
Energy: 0.33402662498182256
Energy: 0.297395726345401
Energy: 0.33402662498220986
Energy: 0.2973957263450137
Energy: 0.3047882458717463
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Energy: 0.3047882458725209
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Energy: 0.3943367420851908
Energy: 0.3671307235096473
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Energy: 0.36713072351003456
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Energy: 0.29686399511347245
Energy: 0.3306426785805548
Energy: 0.2968639951095993
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Energy: 0.3295785961861301
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Energy: 0.3203779090045023
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Energy: 0.34348886563174086
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Energy: 0.3434888656313535
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Energy: 0.395436469958588
Energy: 0.35438043940243286
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Energy: 0.3543804394028201
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Energy: 0.3517594305430528
Energy: 0.3428746935890595
Energy: 0.35175943054227826
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Energy: 0.35175943054227826
Energy: 0.3344870253554252
Energy: 0.3772700045183221
Energy: 0.33448702535581243
Energy: 0.37727000451212517
Energy: 0.3344870253546506
Energy: 0.3772700045167729
Energy: 0.3135621547278544
Energy: 0.3314612306429539
Energy: 0.3135621547263052
Energy: 0.33146123064256655
Energy: 0.3135621547270798
Energy: 0.3314612306429539
Energy: 0.32581181739230575
Energy: 0.33342928498511054
Energy: 0.32581181739308035
Energy: 0.3334292849847232
Energy: 0.32581181739230575
Energy: 0.3334292849847232
Energy: 0.32301277123148875
Energy: 0.4058920865054614
Energy: 0.32301277123187605
Energy: 0.40589208650662334
Energy: 0.3270873716423033
Energy: 0.40589208650584874
Energy: 0.3052241516786861
Energy: 0.34202953171978956
Energy: 0.30522415167829875
Energy: 0.34202953171940226
Energy: 0.30522415167829875
Energy: 0.34202953171978956
Energy: 0.2935830319658509
Energy: 0.30775611934308333
Energy: 0.29358303196546354
Energy: 0.30775611934308333
Energy: 0.29358303196546354
Energy: 0.30775611934308333
Energy: 0.3307265587175532
Energy: 0.3874856649447067
Energy: 0.33072655871794043
Energy: 0.38748566494277015
Energy: 0.3307265587187151
Energy: 0.38748566494277015
Energy: 0.3043916923086937
Energy: 0.43536375786910997
Energy: 0.30439169230830637
Energy: 0.4353637578687226
Energy: 0.30439169230830637
Energy: 0.43536375786794806
Energy: 0.2937912009266477
Energy: 0.29762979507382215
Energy: 0.293791200927035
Energy: 0.29762979507382215
Energy: 0.293791200927035
Energy: 0.29762979507382215
Energy: 0.32395914546230775
Energy: 0.29686448083207667
Energy: 0.3239591454626951
Energy: 0.2968644808347878
Energy: 0.32395914546230775
Energy: 0.29686448084059747
Energy: 0.33753002096716966
Energy: 0.38488818122128915
Energy: 0.33753002096639506
Energy: 0.3848881812216765
Energy: 0.33753002096639506
Energy: 0.38488818122090185
Energy: 0.3038135626776765
Energy: 0.3232248317155121
Energy: 0.3038135626769019
Energy: 0.3232248317155121
Energy: 0.3038135626765146
Energy: 0.3232248317155121
Energy: 0.3023228401680994
Energy: 0.2967361044488949
Energy: 0.3023228401680994
Energy: 0.29673610445199344
Energy: 0.3023228401684867
Energy: 0.29673610445199344

minimum gb energy = 0.29358303196546354 eV
minimum distance =  2.63419240536329 Angstroms
sigma value = 81


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

Energy: 0.06962645763258889
Energy: 0.09089368833103781
Energy: 0.06962645763258889
Energy: 0.09089368833145828
Energy: 0.06962645763258889
Energy: 0.09089368833131274
Energy: 0.3451621648085186
Energy: 0.07102794479933486
Energy: 0.3451621648086642
Energy: 0.07102794479904377
Energy: 0.3451621648086642
Energy: 0.07102794479904377
Energy: 0.34518312304686793
Energy: 0.0700240459063026
Energy: 0.34518312304686793
Energy: 0.07002404590573659
Energy: 0.3451831230469973
Energy: 0.07002404590615706
Energy: 0.06962645763244335
Energy: 0.09089368833160381
Energy: 0.06962645763244335
Energy: 0.09089368833145828
Energy: 0.06962645763258889
Energy: 0.09089368833103781
Energy: 0.3451621648086642
Energy: 0.07102794479918931
Energy: 0.3451621648086642
Energy: 0.07102794479933486
Energy: 0.3451621648086642
Energy: 0.07102794479918931
Energy: 0.34518312304686793
Energy: 0.07002404590745075
Energy: 0.3451831230467224
Energy: 0.07002404590745075
Energy: 0.3451831230469973
Energy: 0.07002404590730521
Energy: 0.06962645763258889
Energy: 0.09089368833089227
Energy: 0.06962645763244335
Energy: 0.09089368833145828
Energy: 0.06962645763258889
Energy: 0.09089368833116719
Energy: 0.3451621648085186
Energy: 0.07102794479975531
Energy: 0.3451621648085186
Energy: 0.07102794479889823
Energy: 0.3451621648086642
Energy: 0.07102794479990084
Energy: 0.34518312304686793
Energy: 0.07002404590659368
Energy: 0.3451831230471428
Energy: 0.07002404590559105
Energy: 0.34518312304686793
Energy: 0.07002404590701414
Energy: 0.06962645763258889
Energy: 0.09089368833116719
Energy: 0.06962645763258889
Energy: 0.09089368833145828
Energy: 0.06962645763273442
Energy: 0.09089368833131274

minimum gb energy = 0.06962645763244335 eV
minimum distance =  2.82483715375152 Angstroms
sigma value = 3


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

Energy: 0.3896042134354739
Energy: 0.29961928999585796
Energy: 0.3896042134358998
Energy: 0.2996192899954321
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Energy: 0.30920189683739663
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Energy: 0.32823671808542276
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Energy: 0.32016733290077004
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Energy: 0.36867025269793313
Energy: 0.3434376174488124
Energy: 0.36867025269750725
Energy: 0.3434376174488124
Energy: 0.36867025269793313
Energy: 0.3434376174483866
Energy: 0.3245088752430856
Energy: 0.33813791425803746
Energy: 0.32450887524393734
Energy: 0.33813791425803746
Energy: 0.3245088752430856
Energy: 0.33813791425803746
Energy: 0.3192963962870177
Energy: 0.2905858888275573
Energy: 0.3192963962870177
Energy: 0.2905858888271314
Energy: 0.3192963962865919
Energy: 0.2905858888271314
Energy: 0.2632260322317524
Energy: 0.3316949773782527
Energy: 0.2632260322317524
Energy: 0.3316949773786786
Energy: 0.2632260322317524
Energy: 0.3316949773786786

minimum gb energy = 0.2632260322317524 eV
minimum distance =  2.68679152406229 Angstroms
sigma value = 67


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

Energy: 0.431925472175458
Energy: 0.35863274600707323
Energy: 0.431925472175458
Energy: 0.35863274600707323
Energy: 0.43192547217485117
Energy: 0.35863274600707323
Energy: 0.3750482817129753
Energy: 0.3753399890936983
Energy: 0.3750482817160093
Energy: 0.3753399890936983
Energy: 0.3750482817141888
Energy: 0.3753399890930915
Energy: 0.41666428409628736
Energy: 0.37750413129706606
Energy: 0.41666428409628736
Energy: 0.37750413129706606
Energy: 0.41666428409689416
Energy: 0.37750413129706606
Energy: 0.37532748531693866
Energy: 0.3516864898482687
Energy: 0.37532748531815224
Energy: 0.3516864898476619
Energy: 0.37532748531754545
Energy: 0.3516864898476619
Energy: 0.3749063045568246
Energy: 0.3485313684949942
Energy: 0.3749063045568246
Energy: 0.3485313684949942
Energy: 0.3749063045574314
Energy: 0.3485313684949942
Energy: 0.4020461895034128
Energy: 0.39267293984861257
Energy: 0.40204618950280596
Energy: 0.3926729398480058
Energy: 0.4020461895040196
Energy: 0.3926729398480058
Energy: 0.33661139245735616
Energy: 0.39472458931717996
Energy: 0.33661139245735616
Energy: 0.39472458931717996
Energy: 0.33661139245735616
Energy: 0.3947245893165731
Energy: 0.40261627135637995
Energy: 0.38321387452250855
Energy: 0.4026162713557732
Energy: 0.38321387452250855
Energy: 0.4026162713557732
Energy: 0.38321387452250855
Energy: 0.39509254279889855
Energy: 0.37821605780530104
Energy: 0.3950925427995053
Energy: 0.3782160578065147
Energy: 0.3950925427995053
Energy: 0.3782160578071214
Energy: 0.3361940147825664
Energy: 0.37654303413740964
Energy: 0.3361940147819596
Energy: 0.37654303413740964
Energy: 0.3361940147819596
Energy: 0.37654303413801643
Energy: 0.35694034755239107
Energy: 0.418980355577536
Energy: 0.35694034755239107
Energy: 0.418980355577536
Energy: 0.35694034755239107
Energy: 0.418980355577536
Energy: 0.3679187049775536
Energy: 0.3550584603698948
Energy: 0.3679187049775536
Energy: 0.3550584603705016
Energy: 0.3679187049781604
Energy: 0.3550584603735356
Energy: 0.3708360691177269
Energy: 0.40521872019825067
Energy: 0.3708360691177269
Energy: 0.40521872019825067
Energy: 0.37083606911833367
Energy: 0.40521872019825067
Energy: 0.36209806600838657
Energy: 0.4531642546169125
Energy: 0.36209806600838657
Energy: 0.4531642546169125
Energy: 0.3620980660077797
Energy: 0.4531642546169125
Energy: 0.3716512594703816
Energy: 0.31938159760230356
Energy: 0.3716512594703816
Energy: 0.31938159760412393
Energy: 0.3716512594709883
Energy: 0.3193815976029103
Energy: 0.3694901402108335
Energy: 0.36133238757306896
Energy: 0.3694901402096199
Energy: 0.36133238757306896
Energy: 0.3694901402114403
Energy: 0.36133238757306896
Energy: 0.3601096356242951
Energy: 0.3775033723911077
Energy: 0.3601096356242951
Energy: 0.3775033723911077
Energy: 0.3601096356242951
Energy: 0.3775033723905009
Energy: 0.33340445597093277
Energy: 0.36216393058563623
Energy: 0.3334044559745736
Energy: 0.36216393058563623
Energy: 0.33340445597639395
Energy: 0.362163930586243
Energy: 0.36621570580009816
Energy: 0.4154836239678019
Energy: 0.36621570580009816
Energy: 0.41548362396719507
Energy: 0.3662157057994913
Energy: 0.4154836239678019
Energy: 0.3933064621768335
Energy: 0.3448285819031024
Energy: 0.3933064621768335
Energy: 0.34482858190370924
Energy: 0.3933064621768335
Energy: 0.3448285819031024
Energy: 0.3964813437452549
Energy: 0.3191028353620047
Energy: 0.3964813437422209
Energy: 0.3191028353620047
Energy: 0.3964813437452549
Energy: 0.31910283536261147
Energy: 0.43548385711528176
Energy: 0.41786056400247984
Energy: 0.4354838571164953
Energy: 0.41786056400247984
Energy: 0.4354838571164953
Energy: 0.417860564001873
Energy: 0.37573319106262804
Energy: 0.34421861666431774
Energy: 0.37573319106262804
Energy: 0.34421861666431774
Energy: 0.3757331910620212
Energy: 0.34421861666431774

minimum gb energy = 0.3191028353620047 eV
minimum distance =  2.68824652793048 Angstroms
sigma value = 33


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

Energy: 0.4684265614016735
Energy: 0.3636030142975762
Energy: 0.4684265614009036
Energy: 0.36360301429796116
Energy: 0.4684265614012885
Energy: 0.3636030142975762
Energy: 0.4019088822919484
Energy: 0.40619817263638214
Energy: 0.4019088822919484
Energy: 0.40619817263638214
Energy: 0.4019088822919484
Energy: 0.4061981726359972
Energy: 0.4402427963723025
Energy: 0.40674339219090067
Energy: 0.44024279637307234
Energy: 0.40674339219128564
Energy: 0.44024279637307234
Energy: 0.40674339219090067
Energy: 0.4613646981524362
Energy: 0.37118006166431944
Energy: 0.4613646981524362
Energy: 0.37118006166431944
Energy: 0.4613646981520513
Energy: 0.37118006166431944
Energy: 0.4227664554835337
Energy: 0.4308604498213759
Energy: 0.42276645548391867
Energy: 0.430860449820606
Energy: 0.4227664554843036
Energy: 0.430860449820991
Energy: 0.4819372474569035
Energy: 0.4734669376366021
Energy: 0.4819372474561336
Energy: 0.45104820430192977
Energy: 0.4819372474557487
Energy: 0.45104820430269965
Energy: 0.4006949333119805
Energy: 0.4416804789048703
Energy: 0.4006949333115955
Energy: 0.4416804789048703
Energy: 0.4006949333119805
Energy: 0.4416804789048703
Energy: 0.3821242913983814
Energy: 0.4617024265332153
Energy: 0.3821242913987663
Energy: 0.4617024265332153
Energy: 0.3821242913995362
Energy: 0.4617024265332153
Energy: 0.4051269154979379
Energy: 0.4443769472577706
Energy: 0.4051269154975529
Energy: 0.4443769472827917
Energy: 0.4051269154975529
Energy: 0.44437694727740257
Energy: 0.3966715516054943
Energy: 0.4488198732212715
Energy: 0.3966715516054943
Energy: 0.4488198732212715
Energy: 0.3966715516054943
Energy: 0.46480120972352057
Energy: 0.38846404504686
Energy: 0.473097565568615
Energy: 0.38846404504686
Energy: 0.47309756556823
Energy: 0.3884640450460901
Energy: 0.4730975655689999
Energy: 0.4010218811026773
Energy: 0.40825123244890305
Energy: 0.40102188110229225
Energy: 0.40825123244890305
Energy: 0.40102188110229225
Energy: 0.40825123244851813
Energy: 0.42266008413080053
Energy: 0.3657432430953361
Energy: 0.42266008413080053
Energy: 0.36574324309572104
Energy: 0.42266008413080053
Energy: 0.3657432430953361
Energy: 0.3926223791983621
Energy: 0.4050324446831836
Energy: 0.39262237919797716
Energy: 0.4050324446827987
Energy: 0.39262237919874704
Energy: 0.4050324446827987
Energy: 0.36078904962240527
Energy: 0.40511662067154314
Energy: 0.36078904962240527
Energy: 0.40511662067154314
Energy: 0.36078904962202035
Energy: 0.40511662067154314
Energy: 0.4611848853790835
Energy: 0.4377686455830386
Energy: 0.4611848853790835
Energy: 0.4377686455830386
Energy: 0.4611848853790835
Energy: 0.4377686455826536
Energy: 0.4191917530367135
Energy: 0.3773769829808032
Energy: 0.4191917530367135
Energy: 0.37737698298311284
Energy: 0.41919175303748346
Energy: 0.3773769829838827
Energy: 0.4546030750103402
Energy: 0.4439154393069134
Energy: 0.4546030750080305
Energy: 0.4439154393072983
Energy: 0.45460307500918534
Energy: 0.4439154393069134
Energy: 0.4001656005526202
Energy: 0.4538321719772169
Energy: 0.4001656005526202
Energy: 0.45383217197760184
Energy: 0.4001656005526202
Energy: 0.45383217197760184
Energy: 0.4468625463608943
Energy: 0.3782782108064675
Energy: 0.44686254636050937
Energy: 0.3782782108064675
Energy: 0.4468625463612792
Energy: 0.3782782108064675
Energy: 0.4474672927914218
Energy: 0.4391784556865517
Energy: 0.44746729279103675
Energy: 0.4391784556869367
Energy: 0.4474672927914218
Energy: 0.4391784556869367
Energy: 0.4169109183982911
Energy: 0.423678431043086
Energy: 0.41691091839944594
Energy: 0.423678431043086
Energy: 0.4169109183982911
Energy: 0.4236784310427011
Energy: 0.3891174766563862
Energy: 0.47316694849811314
Energy: 0.3891174766563862
Energy: 0.4731669484977282
Energy: 0.3891174766563862
Energy: 0.47316694849811314
Energy: 0.42684256189115694
Energy: 0.392078909148337
Energy: 0.4268425618919269
Energy: 0.392078909148337
Energy: 0.4268425618926967
Energy: 0.39207890914910687
Energy: 0.4012916037040901
Energy: 0.4089379863655442
Energy: 0.4012916037040901
Energy: 0.4089379863655442
Energy: 0.4012916037040901
Energy: 0.4089379863655442
Energy: 0.39167190600666874
Energy: 0.4599344681266351
Energy: 0.39167190600474405
Energy: 0.4599344681258652
Energy: 0.39167190600474405
Energy: 0.4599344681266351
Energy: 0.401416093099811
Energy: 0.4221176419478379
Energy: 0.40141609310019594
Energy: 0.422117641947453
Energy: 0.4014160931009658
Energy: 0.4221176419478379
Energy: 0.4493824681647263
Energy: 0.4793178573994529
Energy: 0.4493824681647263
Energy: 0.4793178574009926
Energy: 0.44938246816434135
Energy: 0.45921608475259396
Energy: 0.4491448395352066
Energy: 0.4308987419219579
Energy: 0.44914483953482165
Energy: 0.4308987419219579
Energy: 0.44914483953443674
Energy: 0.4308987419219579
Energy: 0.40258224680768906
Energy: 0.44189672235144983
Energy: 0.40258224680768906
Energy: 0.44189672235029503
Energy: 0.40258224680768906
Energy: 0.44189672235144983
Energy: 0.47567190375623003
Energy: 0.44285249767964685
Energy: 0.475671903756615
Energy: 0.44285249768003176
Energy: 0.475671903756615
Energy: 0.44285249767849205
Energy: 0.42168898652410913
Energy: 0.3783313250310381
Energy: 0.42168898652410913
Energy: 0.378331325031423
Energy: 0.42168898652372416
Energy: 0.378331325031423
Energy: 0.4600376246349903
Energy: 0.45205462072319164
Energy: 0.4600376246349903
Energy: 0.4520546207235766
Energy: 0.4600376246349903
Energy: 0.4520546207235766
Energy: 0.4138221772375769
Energy: 0.406299975066982
Energy: 0.4138221772375769
Energy: 0.406299975066982
Energy: 0.413822177237192
Energy: 0.406299975066982
Energy: 0.3921898292823222
Energy: 0.4068539613494088
Energy: 0.3921898292823222
Energy: 0.4068539613494088
Energy: 0.3921898292827071
Energy: 0.4068539613494088
Energy: 0.484715853120603
Energy: 0.36462032011250606
Energy: 0.484715853120603
Energy: 0.36462032011289097
Energy: 0.484715853120603
Energy: 0.36462032011250606
Energy: 0.4002766781969321
Energy: 0.4036192590485784
Energy: 0.4002766781969321
Energy: 0.4036192590485784
Energy: 0.4002766781969321
Energy: 0.4036192590485784

minimum gb energy = 0.36078904962202035 eV
minimum distance =  2.66923399161518 Angstroms
sigma value = 41


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

Energy: 0.5131494639199625
Energy: 0.4227789973131336
Energy: 0.5131494639210136
Energy: 0.4227789973131336
Energy: 0.5131494639210136
Energy: 0.4227789973131336
Energy: 0.4400666415243993
Energy: 0.46625067675094906
Energy: 0.4400666415243993
Energy: 0.466250676752
Energy: 0.4400666415243993
Energy: 0.466250676752
Energy: 0.5258161921042611
Energy: 0.46810283024532706
Energy: 0.5358699834791276
Energy: 0.46810283024532706
Energy: 0.5358699834791276
Energy: 0.46810283024637805
Energy: 0.47728230578508934
Energy: 0.5347246296185684
Energy: 0.4772823057840384
Energy: 0.5347246296185684
Energy: 0.4772823057840384
Energy: 0.5347246296185684
Energy: 0.4896701511170453
Energy: 0.46964183226160966
Energy: 0.4896701511170453
Energy: 0.46964183226055867
Energy: 0.4896701511170453
Energy: 0.46964183226160966
Energy: 0.5200100399450905
Energy: 0.48747537512715106
Energy: 0.5200100399461415
Energy: 0.487475375128202
Energy: 0.5200100399461415
Energy: 0.487475375128202
Energy: 0.45047771819660853
Energy: 0.488535872679383
Energy: 0.4504777181976594
Energy: 0.488535872679383
Energy: 0.45047771819660853
Energy: 0.488535872679383
Energy: 0.4691380007161634
Energy: 0.5113188815295622
Energy: 0.4691380007161634
Energy: 0.5113188815295622
Energy: 0.4691380007161634
Energy: 0.5113188815295622
Energy: 0.45543971019939355
Energy: 0.4483807742860441
Energy: 0.45543971019939355
Energy: 0.4483807742870951
Energy: 0.45543971019939355
Energy: 0.4483807742849931
Energy: 0.5133283406847038
Energy: 0.4246417132345454
Energy: 0.5133283406847038
Energy: 0.4246417132345454
Energy: 0.5133283406847038
Energy: 0.4246417132345454
Energy: 0.441764696802266
Energy: 0.4680438212449204
Energy: 0.44176469680331704
Energy: 0.4680438212449204
Energy: 0.44176469680331704
Energy: 0.4680438212438694
Energy: 0.47975317800936423
Energy: 0.4661301899706784
Energy: 0.47975317800936423
Energy: 0.46613018996962735
Energy: 0.47975317800936423
Energy: 0.4661301899706784
Energy: 0.530619483480431
Energy: 0.5379253976560784
Energy: 0.530619483480431
Energy: 0.5379253976560784
Energy: 0.530619483480431
Energy: 0.5379253976560784
Energy: 0.5368214683141997
Energy: 0.4702913960339975
Energy: 0.5368214683141997
Energy: 0.4702913960339975
Energy: 0.5368214683141997
Energy: 0.4702913960339975

minimum gb energy = 0.4227789973131336 eV
minimum distance =  2.65344235123165 Angstroms
sigma value = 11


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

Energy: 0.5684057559601339
Energy: 0.5098877405844447
Energy: 0.5684057559601339
Energy: 0.5098877405844447
Energy: 0.5684057559605956
Energy: 0.5098877405844447
Energy: 0.46740518919909446
Energy: 0.5309906142827666
Energy: 0.46740518919909446
Energy: 0.5309906142827666
Energy: 0.46740518919909446
Energy: 0.5309906142827666
Energy: 0.5102989890785745
Energy: 0.5339280304970171
Energy: 0.5102989890785745
Energy: 0.5339280304970171
Energy: 0.5102989890781129
Energy: 0.5339280304970171
Energy: 0.5282664164176026
Energy: 0.47992415029108954
Energy: 0.5282664164176026
Energy: 0.4799241502915512
Energy: 0.5282664164176026
Energy: 0.4799241502915512
Energy: 0.529309320584957
Energy: 0.5305380460266814
Energy: 0.529309320584957
Energy: 0.5305380460266814
Energy: 0.5293093205835719
Energy: 0.5305380460266814
Energy: 0.49470578455849
Energy: 0.5285858178905921
Energy: 0.49470578455895176
Energy: 0.5285858178905921
Energy: 0.49470578455895176
Energy: 0.5285858178905921
Energy: 0.5398216370104753
Energy: 0.4952755024401299
Energy: 0.539821637010937
Energy: 0.4952755024396682
Energy: 0.5398216370104753
Energy: 0.4952755024401299
Energy: 0.5144590055326216
Energy: 0.5095313796951484
Energy: 0.5144590055330834
Energy: 0.5095313796951484
Energy: 0.5144590055326216
Energy: 0.5095313796956101
Energy: 0.5062449705272122
Energy: 0.510686448471714
Energy: 0.5062449705272122
Energy: 0.510686448471714
Energy: 0.5062449705272122
Energy: 0.510686448471714
Energy: 0.527156210403327
Energy: 0.5114239501340514
Energy: 0.527156210403327
Energy: 0.511423950134513
Energy: 0.527156210403327
Energy: 0.511423950134513
Energy: 0.4986190673985664
Energy: 0.537698367768637
Energy: 0.4986190673985664
Energy: 0.5376983677681754
Energy: 0.4986190673985664
Energy: 0.537698367768637
Energy: 0.5211990863694342
Energy: 0.5429980872312936
Energy: 0.5211990863694342
Energy: 0.5429980872312936
Energy: 0.5211990863698958
Energy: 0.5429980872312936
Energy: 0.5326717990619596
Energy: 0.5099951245221298
Energy: 0.5326717990614979
Energy: 0.5099951245216683
Energy: 0.5326717990614979
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Energy: 0.48204004141621604
Energy: 0.5447179850136534
Energy: 0.48204004141713935
Energy: 0.5447179850136534
Energy: 0.4820400414166777
Energy: 0.5447179850136534
Energy: 0.4923123421720787
Energy: 0.4951829508839465
Energy: 0.4923123421720787
Energy: 0.4951829508839465
Energy: 0.49231234217254033
Energy: 0.4951829508839465
Energy: 0.5430104480969875
Energy: 0.49506260819251896
Energy: 0.5430104480969875
Energy: 0.49506260819298065
Energy: 0.5430104480974494
Energy: 0.4950626081915956
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Energy: 0.5257646090200133
Energy: 0.4829956569030291
Energy: 0.5257646090200133
Energy: 0.4829956569030291
Energy: 0.5257646090200133
Energy: 0.5608650177798812
Energy: 0.5570434669412148
Energy: 0.5608650177794196
Energy: 0.5570434669416765
Energy: 0.5608650177798812
Energy: 0.5570434669421381
Energy: 0.49846309217260826
Energy: 0.48573578494242625
Energy: 0.49846309217260826
Energy: 0.48573578494196457
Energy: 0.49846309217214657
Energy: 0.48573578494242625
Energy: 0.5078238624927262
Energy: 0.5432583200954173
Energy: 0.5078238624922644
Energy: 0.5432583200954173
Energy: 0.5078238624927262
Energy: 0.5432583200949556
Energy: 0.4752000740511606
Energy: 0.48984708831192636
Energy: 0.47520007405069886
Energy: 0.48984708831192636
Energy: 0.47520007405069886
Energy: 0.489847088312388
Energy: 0.5569594486227961
Energy: 0.5101861202252143
Energy: 0.5569594486227961
Energy: 0.5101861202256759
Energy: 0.5569594486223344
Energy: 0.5101861202256759
Energy: 0.5090411333433099
Energy: 0.5315308756471089
Energy: 0.5090411333428483
Energy: 0.5315308756471089
Energy: 0.5090411333428483
Energy: 0.5315308756471089
Energy: 0.540857246064523
Energy: 0.5293423930376748
Energy: 0.5408572460640613
Energy: 0.5293423930376748
Energy: 0.540857246064523
Energy: 0.5293423930376748
Energy: 0.5208083430923965
Energy: 0.5031781147061648
Energy: 0.5208083430919348
Energy: 0.5031781147061648
Energy: 0.5208083430923965
Energy: 0.5031781147061648
Energy: 0.48729700452934166
Energy: 0.5417166173219965
Energy: 0.48729700452888
Energy: 0.5417166173215348
Energy: 0.4872970045302651
Energy: 0.5417166173215348
Energy: 0.5081930626918896
Energy: 0.5130500111505855
Energy: 0.5081930626918896
Energy: 0.5130500111510472
Energy: 0.5081930626914279
Energy: 0.5130500111524323
Energy: 0.5376290966259069
Energy: 0.5141867215376713
Energy: 0.5376290966259069
Energy: 0.5141867215376713
Energy: 0.537629096625445
Energy: 0.5141867215376713
Energy: 0.48461491672401347
Energy: 0.5455357076806947
Energy: 0.48461491672401347
Energy: 0.5455357076806947
Energy: 0.48461491672401347
Energy: 0.5455357076802331
Energy: 0.4851838487965774
Energy: 0.4733745084955256
Energy: 0.4851838487965774
Energy: 0.4733745084959872
Energy: 0.4851838487965774
Energy: 0.4733745084955256
Energy: 0.5245849311698845
Energy: 0.5377559053979195
Energy: 0.5245849311698845
Energy: 0.5377559053979195
Energy: 0.5245849311703462
Energy: 0.5377559053979195

minimum gb energy = 0.46740518919909446 eV
minimum distance =  2.59311353018845 Angstroms
sigma value = 57


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

Energy: 0.4924901243966369
Energy: 0.44452518261426915
Energy: 0.4924901243966369
Energy: 0.44452518261426915
Energy: 0.4924901243966369
Energy: 0.44452518261426915
Energy: 0.521899382770993
Energy: 0.5746146920665867
Energy: 0.5218993827701714
Energy: 0.5746146920665867
Energy: 0.5218993827701714
Energy: 0.5746146920649435
Energy: 0.5270341526044986
Energy: 0.522490646038516
Energy: 0.5270341526044986
Energy: 0.522490646038516
Energy: 0.5270341526044986
Energy: 0.522490646038516
Energy: 0.49974391232695303
Energy: 0.6703344241681429
Energy: 0.49974391232695303
Energy: 0.5199631059676791
Energy: 0.49974391232695303
Energy: 0.5199631059685007
Energy: 0.5268930222949703
Energy: 0.5225731573357763
Energy: 0.5268930222949703
Energy: 0.5225731573357763
Energy: 0.5268930222949703
Energy: 0.5225731573357763
Energy: 0.5218241918375695
Energy: 0.4740418182748246
Energy: 0.5218241918367479
Energy: 0.47404181827400305
Energy: 0.5218241918367479
Energy: 0.47404181827400305
Energy: 0.4924901243958153
Energy: 0.44452518261591234
Energy: 0.4924901243958153
Energy: 0.44452518261591234
Energy: 0.4924901243958153
Energy: 0.44452518261673396
Energy: 0.5218993827693499
Energy: 0.5746146920649435
Energy: 0.5218993827693499
Energy: 0.5746146920649435
Energy: 0.5218993827693499
Energy: 0.5746146920633003
Energy: 0.5270341526061418
Energy: 0.5224906460393376
Energy: 0.5270341526061418
Energy: 0.5224906460393376
Energy: 0.5270341526053202
Energy: 0.522490646038516
Energy: 0.4997439123253098
Energy: 0.5250758232241065
Energy: 0.49974391232613147
Energy: 0.5013199881112139
Energy: 0.49974391232613147
Energy: 0.5013199881103922
Energy: 0.5268930222941487
Energy: 0.5225731573365979
Energy: 0.5268930222949703
Energy: 0.5225731573365979
Energy: 0.5268930222941487
Energy: 0.5225731573365979
Energy: 0.5218241918367479
Energy: 0.4740418182748246
Energy: 0.5218241918367479
Energy: 0.47404181827400305
Energy: 0.5218241918367479
Energy: 0.47404181827400305
Energy: 0.4924901243966369
Energy: 0.44452518261426915
Energy: 0.4924901243966369
Energy: 0.44452518261426915
Energy: 0.4924901243966369
Energy: 0.44452518261426915
Energy: 0.521899382770993
Energy: 0.5746146920657651
Energy: 0.5218993827701714
Energy: 0.5746146920657651
Energy: 0.5218993827701714
Energy: 0.5746146920649435
Energy: 0.5270341526044986
Energy: 0.522490646038516
Energy: 0.5270341526044986
Energy: 0.522490646038516
Energy: 0.5270341526053202
Energy: 0.522490646038516
Energy: 0.49974391232613147
Energy: 0.5250758232232848
Energy: 0.49974391232613147
Energy: 0.5013199881103922
Energy: 0.49974391232695303
Energy: 0.5013199881095707
Energy: 0.5268930222949703
Energy: 0.5225731573357763
Energy: 0.5268930222949703
Energy: 0.5225731573357763
Energy: 0.5268930222941487
Energy: 0.5225731573357763

minimum gb energy = 0.44452518261426915 eV
minimum distance =  2.63548727477568 Angstroms
sigma value = 9


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

Energy: 0.508275018703237
Energy: 0.5542501333136366
Energy: 0.508275018703237
Energy: 0.5542501333136366
Energy: 0.508275018703237
Energy: 0.5542501333136366
Energy: 0.5415859269303218
Energy: 0.54150850034423
Energy: 0.5415859269303218
Energy: 0.54150850034423
Energy: 0.5415859269309926
Energy: 0.54150850034423
Energy: 0.5698390180073648
Energy: 0.5066937031718166
Energy: 0.5698390180073648
Energy: 0.5066937031718166
Energy: 0.5698390180073648
Energy: 0.5066937031718166
Energy: 0.4930632655673989
Energy: 0.5724544804621479
Energy: 0.4930632655680698
Energy: 0.5724544804621479
Energy: 0.4930632655673989
Energy: 0.5724544804628187
Energy: 0.5035308386879499
Energy: 0.5445896890912507
Energy: 0.5035308386879499
Energy: 0.5445896890912507
Energy: 0.5035308386879499
Energy: 0.5445896890919216
Energy: 0.5657340785656788
Energy: 0.5121535513399703
Energy: 0.5657340785663496
Energy: 0.5121535513413119
Energy: 0.5657340785656788
Energy: 0.5121535513399703
Energy: 0.4934532436848018
Energy: 0.5143903799937092
Energy: 0.493453243684131
Energy: 0.5143903799937092
Energy: 0.4934532436848018
Energy: 0.5143903799937092
Energy: 0.5557591725150669
Energy: 0.5151113747544688
Energy: 0.555759172514396
Energy: 0.5151113747551397
Energy: 0.5557591725150669
Energy: 0.5151113747551397
Energy: 0.6099569817399367
Energy: 0.5146984188321033
Energy: 0.6099569817419492
Energy: 0.5146984188321033
Energy: 0.6099569817412784
Energy: 0.5146984188321033
Energy: 0.49315212938449215
Energy: 0.5233967760588847
Energy: 0.49315212938449215
Energy: 0.5233967760588847
Energy: 0.49315212938449215
Energy: 0.5233967760588847
Energy: 0.5120023441210447
Energy: 0.5229516386959754
Energy: 0.5120023441210447
Energy: 0.5229516386959754
Energy: 0.5120023441203739
Energy: 0.5229516386959754
Energy: 0.5399823702359857
Energy: 0.5006148400549028
Energy: 0.5399823702359857
Energy: 0.5006148400549028
Energy: 0.5399823702346441
Energy: 0.5006148400549028
Energy: 0.4978114228366153
Energy: 0.5552874988274575
Energy: 0.4978114228366153
Energy: 0.5552874988274575
Energy: 0.4978114228372861
Energy: 0.5552874988274575
Energy: 0.5047013426385825
Energy: 0.5334442643813085
Energy: 0.504701342639924
Energy: 0.5334442643806377
Energy: 0.5047013426392533
Energy: 0.5334442643813085
Energy: 0.5172382025090542
Energy: 0.512577898458675
Energy: 0.5172382025097251
Energy: 0.512577898458675
Energy: 0.5172382025090542
Energy: 0.512577898458675
Energy: 0.5104138788909532
Energy: 0.5443619492379654
Energy: 0.5104138788909532
Energy: 0.5443619492386362
Energy: 0.5104138788909532
Energy: 0.5443619492386362
Energy: 0.5466943672822913
Energy: 0.5446740472275566
Energy: 0.5466943672822913
Energy: 0.5446740472275566
Energy: 0.5466943672822913
Energy: 0.5446740472275566
Energy: 0.5718015268023673
Energy: 0.5189157101658307
Energy: 0.5718015268030381
Energy: 0.5189157101658307
Energy: 0.5718015268023673
Energy: 0.5189157101658307
Energy: 0.5022870991439423
Energy: 0.5330214812976394
Energy: 0.5022870991432715
Energy: 0.5330214812976394
Energy: 0.5022870991439423
Energy: 0.5330214812983103
Energy: 0.5330548055200565
Energy: 0.5308213510323112
Energy: 0.5330548055193857
Energy: 0.5308213510276154
Energy: 0.5330548055187146
Energy: 0.5308213510296278
Energy: 0.5407056042219087
Energy: 0.5003959568931674
Energy: 0.5407056042212379
Energy: 0.5003959568924966
Energy: 0.5407056042212379
Energy: 0.5003959568924966

minimum gb energy = 0.4930632655673989 eV
minimum distance =  2.62381517374768 Angstroms
sigma value = 27


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

Energy: 0.5129756971927039
Energy: 0.5631032488942398
Energy: 0.4968349594705903
Energy: 0.5631032488942398
Energy: 0.5129756971921385
Energy: 0.5631032488925434
Energy: 0.5417937455947838
Energy: 0.5240909965027125
Energy: 0.5417937455964801
Energy: 0.5240909965027125
Energy: 0.5417937455964801
Energy: 0.5240909965049743
Energy: 0.52933755067298
Energy: 0.48380110552763644
Energy: 0.5293375506735456
Energy: 0.48380110552707095
Energy: 0.52933755067298
Energy: 0.48380110552537464
Energy: 0.4521409068643947
Energy: 0.5070449780558665
Energy: 0.4521409068643947
Energy: 0.5070449780558665
Energy: 0.4521409068643947
Energy: 0.507044978056432
Energy: 0.4872606983450229
Energy: 0.5380488930768511
Energy: 0.4872606983438919
Energy: 0.5380488930796784
Energy: 0.4872606983450229
Energy: 0.5380488930808094
Energy: 0.5302885210576964
Energy: 0.5044730749234314
Energy: 0.5302885210565654
Energy: 0.5044730749234314
Energy: 0.5302885210576964
Energy: 0.5044730749239968
Energy: 0.5222813181168521
Energy: 0.5583445483206126
Energy: 0.5222813181162866
Energy: 0.5583445483211782
Energy: 0.5222813181168521
Energy: 0.5583445483228746
Energy: 0.5284586030802468
Energy: 0.5353209613823404
Energy: 0.5284586030774195
Energy: 0.5353209613823404
Energy: 0.5284586030796813
Energy: 0.5353209613817749
Energy: 0.580771601284904
Energy: 0.45452502232053904
Energy: 0.580807763706254
Energy: 0.45452502232053904
Energy: 0.580771601284904
Energy: 0.45452502232110437
Energy: 0.5108158502468291
Energy: 0.5398985618333288
Energy: 0.5106431352631867
Energy: 0.5398985618327634
Energy: 0.5108158502451584
Energy: 0.5398985618316324
Energy: 0.5105268116594373
Energy: 0.5486483072969502
Energy: 0.5106137490644895
Energy: 0.5486483072963848
Energy: 0.5105268116594373
Energy: 0.5486483072963848
Energy: 0.5572213127415945
Energy: 0.4651928326591324
Energy: 0.5572213127393326
Energy: 0.4651928326591324
Energy: 0.5572213127415945
Energy: 0.4651928326585669
Energy: 0.5014671095810301
Energy: 0.5234149838408139
Energy: 0.5014671095815956
Energy: 0.5234149838396829
Energy: 0.5014671095810301
Energy: 0.5234149838413793
Energy: 0.4521246176197858
Energy: 0.5153167607850222
Energy: 0.4521246176180893
Energy: 0.5153167607850222
Energy: 0.4521246176197858
Energy: 0.5153167607867186
Energy: 0.5508156145741412
Energy: 0.5042949646018079
Energy: 0.5587135790276244
Energy: 0.5042949646023734
Energy: 0.5508156145735759
Energy: 0.5042949646029389
Energy: 0.5251805990242301
Energy: 0.5119271106514363
Energy: 0.5251805990230991
Energy: 0.5119271106520017
Energy: 0.5251805990242301
Energy: 0.5119271106520017
Energy: 0.46457143323334993
Energy: 0.5415495417937701
Energy: 0.4645714332344809
Energy: 0.5415495417937701
Energy: 0.46457143323334993
Energy: 0.5415495417937701
Energy: 0.524291532381581
Energy: 0.47197212413000306
Energy: 0.524291532381581
Energy: 0.47197212413000306
Energy: 0.524291532381581
Energy: 0.47197212412943756
Energy: 0.5318777918345702
Energy: 0.4800003767143266
Energy: 0.48429633457713434
Energy: 0.4800003767143266
Energy: 0.5318777918345702
Energy: 0.480000376716023
Energy: 0.5129756971927039
Energy: 0.5631032488953708
Energy: 0.4968349594700249
Energy: 0.5631032488948052
Energy: 0.5129756971927039
Energy: 0.5631032488942398
Energy: 0.5417937455942182
Energy: 0.5240909965027125
Energy: 0.5417937455959146
Energy: 0.5240909965027125
Energy: 0.5417937455942182
Energy: 0.5240909965055398
Energy: 0.52933755067298
Energy: 0.48380110552820194
Energy: 0.5293375506718492
Energy: 0.48380110552763644
Energy: 0.52933755067298
Energy: 0.48380110552594
Energy: 0.45214090686552566
Energy: 0.5070449780553011
Energy: 0.4521409068643947
Energy: 0.5070449780553011
Energy: 0.45214090686552566
Energy: 0.5070449780547356
Energy: 0.48726069834332647
Energy: 0.5380488930791131
Energy: 0.48726069834332647
Energy: 0.5380488930791131
Energy: 0.4872606983438919
Energy: 0.5380488930796784
Energy: 0.5302885210582619
Energy: 0.504473074926233
Energy: 0.5302885210565654
Energy: 0.5044730749256933
Energy: 0.5302885210582619
Energy: 0.5044730749251277

minimum gb energy = 0.4521246176180893 eV
minimum distance =  2.59337309548165 Angstroms
sigma value = 19


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

Energy: 0.46077736260838276
Energy: 0.5465319246456991
Energy: 0.46077736260838276
Energy: 0.5465319246461873
Energy: 0.46077736260838276
Energy: 0.5465319246461873
Energy: 0.553503521509058
Energy: 0.5102209855549529
Energy: 0.553503521509058
Energy: 0.510220985555441
Energy: 0.553503521509058
Energy: 0.5102209855544648
Energy: 0.5569305240786886
Energy: 0.4516688537495743
Energy: 0.5569305240786886
Energy: 0.4516688537495743
Energy: 0.5569305240786886
Energy: 0.4516688537500624
Energy: 0.44917863319045914
Energy: 0.5371864740268736
Energy: 0.44917863319045914
Energy: 0.5371864740268736
Energy: 0.44917863319045914
Energy: 0.5371864740268736
Energy: 0.495524426953864
Energy: 0.5186714922221974
Energy: 0.4955244269548402
Energy: 0.5186714922221974
Energy: 0.4955244269543521
Energy: 0.5186714922217093
Energy: 0.5393291437846497
Energy: 0.44807774739041545
Energy: 0.5393291437846497
Energy: 0.44807774739041545
Energy: 0.5393291437846497
Energy: 0.44807774739041545
Energy: 0.4709840762398612
Energy: 0.592646461426163
Energy: 0.47098407624034927
Energy: 0.592646461426163
Energy: 0.47098407624034927
Energy: 0.592646461426163
Energy: 0.48104699855532046
Energy: 0.5863739238506055
Energy: 0.48104699855483235
Energy: 0.5863739238501174
Energy: 0.48104699855483235
Energy: 0.5863739238501174
Energy: 0.5598729032725397
Energy: 0.4408030744350493
Energy: 0.5598729032725397
Energy: 0.4408030744350493
Energy: 0.5598729032730277
Energy: 0.4408030744350493
Energy: 0.5181362435548895
Energy: 0.5138120749243869
Energy: 0.5181362435548895
Energy: 0.5138120749243869
Energy: 0.5181362435548895
Energy: 0.5138120749238988
Energy: 0.4420609005046269
Energy: 0.5864176484784075
Energy: 0.4420609005046269
Energy: 0.5864176484784075
Energy: 0.4420609005046269
Energy: 0.5864176484784075
Energy: 0.5576465297433589
Energy: 0.45310069989034674
Energy: 0.557646529743847
Energy: 0.45310069989034674
Energy: 0.5576465297423826
Energy: 0.45310069989034674
Energy: 0.522748689197342
Energy: 0.5005424505232607
Energy: 0.522748689197342
Energy: 0.5005424505232607
Energy: 0.5227486891988062
Energy: 0.5005424505232607
Energy: 0.4471280755725064
Energy: 0.5420615760398099
Energy: 0.4471280755725064
Energy: 0.5420615760393217
Energy: 0.4471280755725064
Energy: 0.5420615760393217
Energy: 0.5090971889429142
Energy: 0.44566069792168855
Energy: 0.509097188941938
Energy: 0.44566069792168855
Energy: 0.50909718894145
Energy: 0.44566069792168855
Energy: 0.5840397245703959
Energy: 0.4410370057624222
Energy: 0.5840397245703959
Energy: 0.4410370057624222
Energy: 0.5840397245703959
Energy: 0.4410370057624222
Energy: 0.4547837606963978
Energy: 0.5321787983687721
Energy: 0.4547837606963978
Energy: 0.5321787983687721
Energy: 0.4547837606968859
Energy: 0.5321787983687721
Energy: 0.49731355447266323
Energy: 0.5368192584716391
Energy: 0.49731355447266323
Energy: 0.536819258471151
Energy: 0.49731355447266323
Energy: 0.5368192584721272
Energy: 0.5393858249976144
Energy: 0.4475789619266383
Energy: 0.5639684311351807
Energy: 0.4475789619266383
Energy: 0.5393858249971264
Energy: 0.4475789619266383
Energy: 0.454206148916098
Energy: 0.5173765333379118
Energy: 0.454206148916098
Energy: 0.5173765333383998
Energy: 0.454206148916098
Energy: 0.5173765333379118
Energy: 0.448061194020051
Energy: 0.586937355889845
Energy: 0.448061194020051
Energy: 0.586937355889845
Energy: 0.4480611940195629
Energy: 0.586937355889845
Energy: 0.5767363457053215
Energy: 0.45157887709483374
Energy: 0.5767363457048335
Energy: 0.45157887709483374
Energy: 0.5767363457058097
Energy: 0.45157887709483374
Energy: 0.5236089163997816
Energy: 0.4946617270251091
Energy: 0.5236089163992934
Energy: 0.4946617270255972
Energy: 0.5236089163997816
Energy: 0.4946617270255972
Energy: 0.4615096625853776
Energy: 0.5467729261821004
Energy: 0.4615096625853776
Energy: 0.5467729261821004
Energy: 0.4615096625853776
Energy: 0.5467729261821004
Energy: 0.5149524383962094
Energy: 0.4516781997091891
Energy: 0.5149524383966975
Energy: 0.45167819970870093
Energy: 0.5149524383966975
Energy: 0.45167819970870093
Energy: 0.5198620828902597
Energy: 0.4503931651033856
Energy: 0.519862082891724
Energy: 0.4503931651028975
Energy: 0.5198620828922121
Energy: 0.4503931651028975
Energy: 0.4422625502661859
Energy: 0.5286649904450216
Energy: 0.4422625502661859
Energy: 0.5286649904440452
Energy: 0.4422625502661859
Energy: 0.5286649904450216
Energy: 0.5433155349934875
Energy: 0.4476705601274037
Energy: 0.5433155349934875
Energy: 0.4476705601274037
Energy: 0.5433155349969043
Energy: 0.4476705601274037
Energy: 0.527006082887164
Energy: 0.44761597588557805
Energy: 0.527006082887164
Energy: 0.44761597588557805
Energy: 0.527006082887164
Energy: 0.44761597588557805

minimum gb energy = 0.4408030744350493 eV
minimum distance =  2.63258277863391 Angstroms
sigma value = 101


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

Energy: 0.44076141604134994
Energy: 0.5506154825456612
Energy: 0.440761416041779
Energy: 0.5506154825456612
Energy: 0.440761416041779
Energy: 0.5506154825456612
Energy: 0.5451665103959313
Energy: 0.46106589195234177
Energy: 0.5451665103959313
Energy: 0.46106589195191283
Energy: 0.5451665103955023
Energy: 0.46106589195234177
Energy: 0.539225013691432
Energy: 0.43015884093816287
Energy: 0.5392250136918612
Energy: 0.4301588409377338
Energy: 0.539225013691432
Energy: 0.4301588409377338
Energy: 0.42383069244430993
Energy: 0.6431397619203433
Energy: 0.42383069244388094
Energy: 0.5786543368354417
Energy: 0.4238306924434519
Energy: 0.5786543368350126
Energy: 0.4300090613928802
Energy: 0.5028078524142323
Energy: 0.4300090613924511
Energy: 0.5028078524142323
Energy: 0.4300090613924511
Energy: 0.5028078524146614
Energy: 0.5350967261206382
Energy: 0.423916271996527
Energy: 0.5350967261206382
Energy: 0.423916271996527
Energy: 0.5350967261206382
Energy: 0.423916271996527
Energy: 0.433586732320133
Energy: 0.5401932402163054
Energy: 0.43358673232056205
Energy: 0.5401932402154472
Energy: 0.433586732320133
Energy: 0.5401932402188798
Energy: 0.429372699110041
Energy: 0.5843186359031933
Energy: 0.42937269910961184
Energy: 0.5463420793894055
Energy: 0.42937269910961184
Energy: 0.5463420793906927
Energy: 0.5352476561009166
Energy: 0.4248071580423101
Energy: 0.5352476561009166
Energy: 0.4248071580423101
Energy: 0.5352476561009166
Energy: 0.42480715804188107
Energy: 0.4340730449436534
Energy: 0.5408693738006474
Energy: 0.4340730449436534
Energy: 0.5206617809131429
Energy: 0.4340730449436534
Energy: 0.5206617809131429
Energy: 0.42264171554677915
Energy: 0.5958526020774529
Energy: 0.42264171554677915
Energy: 0.5958526020774529
Energy: 0.4226417155463501
Energy: 0.5958526020774529
Energy: 0.6114847120613892
Energy: 0.4499348837536511
Energy: 0.6114847120613892
Energy: 0.4499348837536511
Energy: 0.6114847120622473
Energy: 0.4499348837536511
Energy: 0.5437065523980931
Energy: 0.4301928002988773
Energy: 0.5437065523980931
Energy: 0.4301928002988773
Energy: 0.5437065523980931
Energy: 0.43019280029930623
Energy: 0.44358839712824527
Energy: 0.5978259345904566
Energy: 0.44358839712824527
Energy: 0.5722234288423095
Energy: 0.4435883971291034
Energy: 0.5722234288423095
Energy: 0.4418289373961691
Energy: 0.4659880233635324
Energy: 0.4418289373970272
Energy: 0.4659880233635324
Energy: 0.44182893739788537
Energy: 0.4659880233635324
Energy: 0.5411655826317866
Energy: 0.43180191875410234
Energy: 0.5411655826317866
Energy: 0.43180191875367324
Energy: 0.5411655826317866
Energy: 0.43180191875367324
Energy: 0.42260654338679043
Energy: 0.6052805348700365
Energy: 0.42260654338636133
Energy: 0.6052805348700365
Energy: 0.42260654338636133
Energy: 0.6052805348704656
Energy: 0.4202080976648343
Energy: 0.5020789565374758
Energy: 0.4202080976648343
Energy: 0.5020789565400503
Energy: 0.42020809766526346
Energy: 0.502078956538763
Energy: 0.5342644655699899
Energy: 0.4246596429355079
Energy: 0.5342644655695608
Energy: 0.4246596429355079
Energy: 0.5342644655704188
Energy: 0.4246596429355079
Energy: 0.4338361597829707
Energy: 0.5062391523144666
Energy: 0.43383615978168355
Energy: 0.5062391523140375
Energy: 0.43383615978168355
Energy: 0.5062391523136084
Energy: 0.4310621277038226
Energy: 0.6035509893294628
Energy: 0.4310621277042517
Energy: 0.6035509893290338
Energy: 0.4310621277042517
Energy: 0.6035509893298919
Energy: 0.6010169868142115
Energy: 0.42399594479885205
Energy: 0.6010169868142115
Energy: 0.42399594479842295
Energy: 0.6010169868142115
Energy: 0.42399594479842295
Energy: 0.5457023712527935
Energy: 0.4240292154757062
Energy: 0.5457023712527935
Energy: 0.4240292154757062
Energy: 0.5457023712536517
Energy: 0.4240292154757062
Energy: 0.42384490344701
Energy: 0.538341277561107
Energy: 0.4238449034465809
Energy: 0.538341277561107
Energy: 0.42384490344701
Energy: 0.538341277561107
Energy: 0.45773396747495
Energy: 0.43799485173377
Energy: 0.45773396747237555
Energy: 0.43799485173377
Energy: 0.45773396747237555
Energy: 0.4379948517341991
Energy: 0.5434311248023002
Energy: 0.43173519738072114
Energy: 0.5434311248023002
Energy: 0.43173519738072114
Energy: 0.5434311248023002
Energy: 0.43173519738072114
Energy: 0.4409033823979429
Energy: 0.5724261310899825
Energy: 0.440903382398801
Energy: 0.5724261310895533
Energy: 0.4409033823983719
Energy: 0.5724261310895533
Energy: 0.44107880673214994
Energy: 0.4974200020101117
Energy: 0.4410788067330081
Energy: 0.4974200020101117
Energy: 0.44107880673343713
Energy: 0.49742000200796627
Energy: 0.5382190449132724
Energy: 0.4300560732879543
Energy: 0.5382190449128436
Energy: 0.43005607328752526
Energy: 0.5382190449132724
Energy: 0.4300560732879543
Energy: 0.4201840736220692
Energy: 0.4559603463026951
Energy: 0.4201840736224983
Energy: 0.45596034630355325
Energy: 0.4201840736220692
Energy: 0.4559603463039823
Energy: 0.42260167319887065
Energy: 0.5372167666264647
Energy: 0.4226016731984416
Energy: 0.5372167666264647
Energy: 0.42260167319887065
Energy: 0.5372167666264647
Energy: 0.5601804759558007
Energy: 0.4241191776790521
Energy: 0.5601804759566589
Energy: 0.4241191776790521
Energy: 0.5601804759566589
Energy: 0.4241191776790521
Energy: 0.5386519944972434
Energy: 0.42333197973178277
Energy: 0.5386519944972434
Energy: 0.42333197973178277
Energy: 0.5386519944968143
Energy: 0.42333197973178277

minimum gb energy = 0.4201840736220692 eV
minimum distance =  2.64496146097882 Angstroms
sigma value = 33


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

Energy: 0.01181049851458751
Energy: 0.6174265263108715
Energy: 0.01181049851458751
Energy: 0.6174265263112281
Energy: 0.01181049851458751
Energy: 0.6174265263112281
Energy: 0.01350897036034396
Energy: 0.18368135361402985
Energy: 0.013508970359630959
Energy: 0.18368135361367333
Energy: 0.01350897036034396
Energy: 0.18368135361367333
Energy: 0.7268340256141056
Energy: 0.18350198747322202
Energy: 0.7268340256123627
Energy: 0.18350198747286556
Energy: 0.7268340256207206
Energy: 0.18350198747286556
Energy: 0.013508970361037155
Energy: 0.18368135361298016
Energy: 0.013508970361037155
Energy: 0.18368135361298016
Energy: 0.013508970360680656
Energy: 0.18368135361402985

minimum gb energy = 0.01181049851458751 eV
minimum distance =  2.83249381732339 Angstroms
sigma value = 1