Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6122690513730054
cohesive_energy=4.26123621847027
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01650342751271543
Energy: 1.8723355335149212
Energy: 0.01650342751271543
Energy: 1.8723355335146072
Energy: 0.01650342751271543
Energy: 1.8723355335146072
Energy: 1.8723355335142928
Energy: 0.789690626713094
Energy: 1.8723355335149212
Energy: 1.0263902814699155
Energy: 1.8723355335152354
Energy: 1.4183204372283247
Energy: 0.01650342751271543
Energy: 1.8723355335149212
Energy: 0.01650342751271543
Energy: 1.8723355335149212
Energy: 0.01650342751271543
Energy: 1.8723355335142928
Energy: 1.8723355335142928
Energy: 1.0263902814711718
Energy: 1.8723355335146072
Energy: 1.5423877585203003
Energy: 1.8723355335149212
Energy: 1.5423877585212424
Energy: 0.01650342751271543
Energy: 1.8723355335149212
Energy: 0.01650342751271543
Energy: 1.8723355335152354
Energy: 0.01650342751271543
Energy: 1.8723355335149212
Energy: 1.8723355335146072
Energy: 1.418320437228918
Energy: 1.8723355335142928
Energy: 1.54238775852215
Energy: 1.8723355335149212
Energy: 1.5423877585206143

minimum gb energy = 0.01650342751271543 eV
minimum distance =  2.47889706795971 Angstroms
sigma value = 1


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

Energy: 1.5173204289928226
Energy: 1.2760801539613094
Energy: 1.3998344966549876
Energy: 1.276080153962065
Energy: 1.5173204289913103
Energy: 1.2760801539613094
Energy: 1.7181488008127017
Energy: 1.0914453413248657
Energy: 1.7181488008134578
Energy: 1.0914453413248657
Energy: 1.7181488008134578
Energy: 1.0914453413248657
Energy: 1.422495285674455
Energy: 1.3892477621480954
Energy: 1.422495285672187
Energy: 1.3892477621511197
Energy: 1.422495285672943
Energy: 1.3892477621480954
Energy: 1.753573705533441
Energy: 1.2181335895816476
Energy: 1.753573705534197
Energy: 1.2181335895816476
Energy: 1.753573705534197
Energy: 1.2181335895816476
Energy: 1.3632710216628565
Energy: 1.4038940461672718
Energy: 1.3632710216636126
Energy: 1.4038940461687837
Energy: 1.3632710216643686
Energy: 1.4038940461672718
Energy: 1.5052823168040175
Energy: 1.2602390060092352
Energy: 1.5052823168017493
Energy: 1.2602390060092352
Energy: 1.5052823168009932
Energy: 1.2602390060084794
Energy: 1.2957808090623784
Energy: 1.461790973734746
Energy: 1.2957808090585983
Energy: 1.46179097373399
Energy: 1.2957808090638907
Energy: 1.461790973735502
Energy: 1.1957149196284682
Energy: 1.492719657776218
Energy: 1.1957149196246881
Energy: 1.492719657775462
Energy: 1.1957149196269563
Energy: 1.492719657774706
Energy: 1.4091425056165578
Energy: 1.4670521432206536
Energy: 1.4091425056210942
Energy: 1.4670521432198977
Energy: 1.4091425056180702
Energy: 1.4670521432214096
Energy: 1.0898598510535527
Energy: 1.552688974369916
Energy: 1.0898598510550646
Energy: 1.5526889743714283
Energy: 1.0898598510543085
Energy: 1.5526889743661358
Energy: 1.4093463185213868
Energy: 1.2618678429330015
Energy: 1.4093463185206305
Energy: 1.2618678429330015
Energy: 1.4093463185183626
Energy: 1.2618678429330015
Energy: 1.2381037994740385
Energy: 2.067925582164158
Energy: 1.2434474433447418
Energy: 2.067925582164158
Energy: 1.2381037994740385
Energy: 2.0679255821634013
Energy: 1.7939647732980635
Energy: 1.1187550826334487
Energy: 1.7939647733048678
Energy: 1.1187550826319366
Energy: 1.7939647733101602
Energy: 1.1187550826334487
Energy: 1.3874120927148794
Energy: 1.4517704490461443
Energy: 1.3877474048752643
Energy: 1.4517704490469006
Energy: 1.3874120927148794
Energy: 1.4517704490469006
Energy: 1.724528709147437
Energy: 1.189484063836459
Energy: 1.6021124705069225
Energy: 1.189484063834947
Energy: 1.724528709147437
Energy: 1.1894840638334347
Energy: 1.7254166922813583
Energy: 1.3384968152455068
Energy: 1.6022796900954794
Energy: 1.3384968152447507
Energy: 1.7254166922806018
Energy: 1.3384968152447507
Energy: 1.4316275776140772
Energy: 1.2555226071417287
Energy: 1.4316275776140772
Energy: 1.2555226071424848
Energy: 1.4316275776140772
Energy: 1.2555226071417287
Energy: 1.4235572055698202
Energy: 1.391269980219271
Energy: 1.423557205570576
Energy: 1.391269980219271
Energy: 1.4235572055720884
Energy: 1.391269980220027
Energy: 1.2369815940727125
Energy: 1.231037385126033
Energy: 1.2369815940727125
Energy: 1.231037385125277
Energy: 1.2369815940727125
Energy: 1.2310373851245209
Energy: 1.4221057210613692
Energy: 1.2714063819703587
Energy: 1.422105721059857
Energy: 1.2714063819696024
Energy: 1.4221057210613692
Energy: 1.2714063819696024
Energy: 1.2086312864237483
Energy: 1.440566114510408
Energy: 1.2086312864237483
Energy: 1.440566114509652
Energy: 1.2086312864229922
Energy: 1.440566114510408
Energy: 1.4025031977420879
Energy: 1.4820874341684929
Energy: 1.402726417071711
Energy: 1.482087434169249
Energy: 1.4025031977435998
Energy: 1.482087434169249
Energy: 0.9467594424635416
Energy: 2.020979991050974
Energy: 0.9467594424642977
Energy: 2.020979991052486
Energy: 0.9467594424658098
Energy: 2.0209799910539292

minimum gb energy = 0.9467594424635416 eV
minimum distance =  2.3355276681016 Angstroms
sigma value = 33


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

Energy: 1.6326796545270124
Energy: 1.5039500167443633
Energy: 1.4146213134312338
Energy: 1.5039500167443633
Energy: 1.6326796545270124
Energy: 1.5039500167439332
Energy: 1.7926042695277429
Energy: 1.1954775661740642
Energy: 1.7926042695286029
Energy: 1.1954775661740642
Energy: 1.7926042695316136
Energy: 1.1954775661736343
Energy: 1.157296338917746
Energy: 0.8163013010896675
Energy: 1.157296338916456
Energy: 0.8163013012005762
Energy: 1.1572963389160258
Energy: 0.8163013012246186
Energy: 1.7505235297963146
Energy: 1.504086215886703
Energy: 1.7505235297958848
Energy: 1.504086215886703
Energy: 1.7505235297963146
Energy: 1.504086215886703
Energy: 1.3743962355445167
Energy: 1.4791652484870257
Energy: 1.3743962355436568
Energy: 1.4791652484857356
Energy: 1.3743962355445167
Energy: 1.4791652484835855
Energy: 1.282267264332789
Energy: 1.1125616478079035
Energy: 1.282267264333219
Energy: 1.1084397900082281
Energy: 1.2822672643340791
Energy: 1.112561647788982
Energy: 1.7424210262679949
Energy: 1.5028254384878803
Energy: 1.7424210262679949
Energy: 1.503039074661485
Energy: 1.742421026268425
Energy: 1.5028254384878803
Energy: 0.9261236141752942
Energy: 1.4305531059599574
Energy: 0.9261236141748642
Energy: 1.4305531059595273
Energy: 0.9261236141752942
Energy: 1.4305531059569472
Energy: 1.1726983772168347
Energy: 1.1349798304666332
Energy: 1.1726983768622161
Energy: 1.1349798304653431
Energy: 1.1726983771979131
Energy: 1.1349798304674936
Energy: 1.141688056814649
Energy: 1.3749302467207865
Energy: 1.1416294083040133
Energy: 1.3749302467255167
Energy: 1.141688056813789
Energy: 1.3749302467220765
Energy: 1.2132814398715965
Energy: 1.0468141717982
Energy: 1.213281440066752
Energy: 1.0468141717986301
Energy: 1.2132814402760985
Energy: 1.0468141717982
Energy: 1.1313049118381866
Energy: 1.1395952321203666
Energy: 1.131291923182539
Energy: 1.1395952321126261
Energy: 1.1313049118377565
Energy: 1.1395952321190765
Energy: 1.5762543401457128
Energy: 0.9746482188250977
Energy: 1.4345465875089156
Energy: 0.9746482188238076
Energy: 1.5762543401422724
Energy: 0.9746482188281079
Energy: 1.5762665699859526
Energy: 1.3675060025095795
Energy: 1.4320418537090542
Energy: 1.3675060181793701
Energy: 1.5762665699859526
Energy: 1.3675059864735992
Energy: 1.4037927559207917
Energy: 1.2195909303926094
Energy: 1.4037927559212218
Energy: 1.2195909303921793
Energy: 1.4037927559212218
Energy: 1.2195909303917494
Energy: 1.156048781633998
Energy: 0.9157636403426805
Energy: 1.156048781633998
Energy: 0.9157636309915187
Energy: 1.156048781633998
Energy: 0.9157637295596674
Energy: 1.3095874593091223
Energy: 1.4689635505907293
Energy: 1.3095874593203032
Energy: 1.4689635505902991
Energy: 1.3095874593134227
Energy: 1.4689635505902991
Energy: 1.2521120009446467
Energy: 1.2228308786474589
Energy: 1.2521120009446467
Energy: 1.2226391997817259
Energy: 1.2521120009459368
Energy: 1.2228308786483189
Energy: 1.1814096023760048
Energy: 0.9381366600504429
Energy: 1.1814096023760048
Energy: 0.9130223879858023
Energy: 1.1814096023729943
Energy: 0.9381366619378455
Energy: 1.503034688797363
Energy: 1.4909531409455432
Energy: 1.503034688796073
Energy: 1.4909524562339864
Energy: 1.503034688796933
Energy: 1.4909531409459733
Energy: 0.9551074075186385
Energy: 1.9065208743423063
Energy: 0.9551074075177785
Energy: 1.9065208743435964
Energy: 0.9551074075186385
Energy: 1.9065208743410162
Energy: 1.2546252252839736
Energy: 1.1567705611213488
Energy: 1.25462522524445
Energy: 1.156770561121779
Energy: 1.2546252253514494
Energy: 1.1567705611213488
Energy: 1.043548602661137
Energy: 1.1514564614052816
Energy: 1.0433181256092974
Energy: 1.1514563902982327
Energy: 1.0435486026615668
Energy: 1.151456169777404
Energy: 1.2457285881181077
Energy: 1.3726914720121026
Energy: 1.2457285881155276
Energy: 1.3726914720112426
Energy: 1.2457285881176776
Energy: 1.3726914720103824
Energy: 1.1303327233712421
Energy: 1.589198797478952
Energy: 1.1556178787073308
Energy: 1.5891987974802422
Energy: 1.1303327233721023
Energy: 1.589198797479812
Energy: 1.6465140200967001
Energy: 1.5004916986523935
Energy: 1.4318547432171642
Energy: 1.5004916986523935
Energy: 1.6465140200988502
Energy: 1.5004916986519634
Energy: 0.846249993294781
Energy: 1.0458540072451477
Energy: 1.432090597597268
Energy: 1.0458540072455775
Energy: 0.8462499968160242
Energy: 1.045854007250738
Energy: 1.2277493512408524
Energy: 1.2652916321623318
Energy: 1.2277493512408524
Energy: 1.265291632165772
Energy: 1.2277493512412823
Energy: 1.2652916321623318
Energy: 1.3681043063005982
Energy: 1.2985107325536749
Energy: 1.3681043063061886
Energy: 1.2985107325532448
Energy: 1.3681043063070486
Energy: 1.2985107325536749
Energy: 1.0435455514409706
Energy: 1.293878756494463
Energy: 1.0435455514409706
Energy: 1.2938787564987633
Energy: 1.0435455514405407
Energy: 1.2938787564987633
Energy: 1.716144247306199
Energy: 1.2303541281340453
Energy: 1.7161442473036188
Energy: 1.1313328429424416
Energy: 1.7161442473049089
Energy: 1.2303541281344752
Energy: 0.9749395764034321
Energy: 1.725753171390319
Energy: 0.9749395764012819
Energy: 1.7271425004701113
Energy: 0.9749395764038622
Energy: 1.7257531713890288
Energy: 1.5329872007782332
Energy: 1.4907144768190084
Energy: 1.5329872007778034
Energy: 1.4906913369512131
Energy: 1.5329872007782332
Energy: 1.4907144768185783
Energy: 1.2231116228255685
Energy: 1.4041256416440264
Energy: 1.2231116228242784
Energy: 1.4041256416435963
Energy: 1.2231116228255685
Energy: 1.4041256416457464
Energy: 0.9540130086442509
Energy: 1.15739176968655
Energy: 0.9540130086442509
Energy: 1.1573917696835399
Energy: 0.9540130086442509
Energy: 1.1573917696844
Energy: 1.5101028423997571
Energy: 1.7514386758405227
Energy: 1.510102842400187
Energy: 1.7514386758405227
Energy: 1.5101028423997571
Energy: 1.7514386758405227
Energy: 1.2225770343703761
Energy: 1.2504354185436397
Energy: 1.2223382223331734
Energy: 1.2504354185466497
Energy: 1.2225770343703761
Energy: 1.2504354185436397
Energy: 0.9081923657891939
Energy: 1.0791289225864078
Energy: 1.1199219561774278
Energy: 1.0791289225838276
Energy: 0.9081923657857536
Energy: 1.0791289225833975
Energy: 1.5760684897309418
Energy: 1.5089095095068064
Energy: 1.4322357073437821
Energy: 1.5089095095068064
Energy: 1.5760684897309418
Energy: 1.5089095095076663
Energy: 1.4331202020947185
Energy: 0.83658352213609
Energy: 1.4331202020960085
Energy: 0.8365835221369501
Energy: 1.4331202020955784
Energy: 0.8365835221369501
Energy: 1.1308878464532883
Energy: 1.244096103966625
Energy: 1.1308878464537182
Energy: 1.244096103966625
Energy: 1.1308878464528582
Energy: 1.2440961039683451

minimum gb energy = 0.8163013010896675 eV
minimum distance =  2.36269693010701 Angstroms
sigma value = 51


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

Energy: 1.573951426544285
Energy: 1.7350346652630986
Energy: 1.573951426544285
Energy: 1.735034665264095
Energy: 1.573951426544285
Energy: 1.7350346652630986
Energy: 1.575309834616474
Energy: 1.2243646856856345
Energy: 1.5753098346174705
Energy: 1.2243646856846382
Energy: 1.5753098346144814
Energy: 1.2243646856856345
Energy: 1.4434553167291262
Energy: 1.7611079468672866
Energy: 1.4434553167291262
Energy: 1.7611079468672866
Energy: 1.4434553167301225
Energy: 1.7611079468672866
Energy: 1.373223305890108
Energy: 1.1163654505544789
Energy: 1.373223305890108
Energy: 1.1163654505554752
Energy: 1.373223305890108
Energy: 1.1163654505544789
Energy: 1.3943757319308234
Energy: 1.5552188220983554
Energy: 1.394375731932816
Energy: 1.5552188220983554
Energy: 1.394375731932816
Energy: 1.5552188220993517
Energy: 1.4559644645306435
Energy: 1.5556960682471372
Energy: 1.4559644645306435
Energy: 1.5556960682481336
Energy: 1.4559644645306435
Energy: 1.5556960682481336
Energy: 1.3704911715286126
Energy: 1.4707767947680064
Energy: 1.3704911715256236
Energy: 1.4707767947680064
Energy: 1.3704911715276162
Energy: 1.4707767947680064
Energy: 1.2124574072305163
Energy: 1.5542637454968622
Energy: 1.2124574072305163
Energy: 1.5542637454968622
Energy: 1.2124574072305163
Energy: 1.5542637454958657
Energy: 1.8231773005020793
Energy: 1.0575796534226376
Energy: 1.8231773005000866
Energy: 1.0575796534226376
Energy: 1.8231773005000866
Energy: 1.057579653423634
Energy: 1.1615430696595601
Energy: 1.6811325102627301
Energy: 1.1615430696595601
Energy: 1.6811325102637262
Energy: 1.1615430696585638
Energy: 1.6811325102647228
Energy: 1.780499947810226
Energy: 1.0733442992544528
Energy: 1.7804999477465033
Energy: 1.0733442992554494
Energy: 1.7804999477923367
Energy: 1.0733442992544528
Energy: 1.514700459204163
Energy: 1.7373276193888991
Energy: 1.5147004592051596
Energy: 1.7373276193898952
Energy: 1.514700459204163
Energy: 1.7373276193898952
Energy: 1.6141076478243113
Energy: 1.168399272776073
Energy: 1.614107647828297
Energy: 1.168399272776073
Energy: 1.6141076478243113
Energy: 1.168399272776073
Energy: 1.2990893650971085
Energy: 1.4745273857548848
Energy: 1.2990893650951159
Energy: 1.4745273857548848
Energy: 1.2990893650951159
Energy: 1.4745273857558812
Energy: 1.4979457840413732
Energy: 1.5253751422475734
Energy: 1.497945784040377
Energy: 1.5253751422475734
Energy: 1.4979457840413732
Energy: 1.525375142246577
Energy: 1.391812360708068
Energy: 1.4662601236374742
Energy: 1.3918123607090642
Energy: 1.4662601236374742
Energy: 1.391812360706075
Energy: 1.4662601236374742
Energy: 1.3406113587306547
Energy: 1.6581117464894972
Energy: 1.3406113587326476
Energy: 1.6581117464845152
Energy: 1.3406113587316513
Energy: 1.6581117464875046
Energy: 1.205341162385262
Energy: 1.2762422627718093
Energy: 1.2053411623862582
Energy: 1.276242262770813
Energy: 1.2053411623862582
Energy: 1.2762422627698167

minimum gb energy = 1.0575796534226376 eV
minimum distance =  2.36701575755484 Angstroms
sigma value = 19


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

Energy: 1.647504879622142
Energy: 1.1714678758184844
Energy: 1.563792445945946
Energy: 1.1714678758196664
Energy: 1.647504879622142
Energy: 1.1714678758190753
Energy: 1.7535703633525117
Energy: 1.4560407057295381
Energy: 1.75357036335133
Energy: 1.4560407057295381
Energy: 1.7535703633525117
Energy: 1.456040705730129
Energy: 1.1866165743165906
Energy: 1.8641265296555178
Energy: 1.1866165743159993
Energy: 1.8641265296561087
Energy: 1.1866165743165906
Energy: 1.8641265296561087
Energy: 1.4302784442179595
Energy: 1.180320387084913
Energy: 1.4302784442167775
Energy: 1.1803203870837309
Energy: 1.4302784442167775
Energy: 1.180320387084913
Energy: 1.4959923995740692
Energy: 1.2484202712080705
Energy: 1.495992399573478
Energy: 1.2484202712092523
Energy: 1.495992399573478
Energy: 1.2484202712080705
Energy: 1.1692490124104298
Energy: 1.442298903042896
Energy: 1.1689433319603342
Energy: 1.442298903041741
Energy: 1.169249012411021
Energy: 1.4422989030434872
Energy: 1.5469181727162784
Energy: 1.1803530574019723
Energy: 1.5469181727168695
Energy: 1.1803530574019723
Energy: 1.5469181727168695
Energy: 1.1803530574031544
Energy: 1.1871044105717397
Energy: 1.8853813042729495
Energy: 1.1871419118821784
Energy: 1.8853813042741316
Energy: 1.1871044105717397
Energy: 1.8853813042735403
Energy: 1.4477217630042567
Energy: 1.5848340311113818
Energy: 1.4477942181747743
Energy: 1.5848340311125366
Energy: 1.4477217630007106
Energy: 1.5848340311125366
Energy: 1.910327467909831
Energy: 1.177064018669814
Energy: 1.9103280377291039
Energy: 1.177064018669814
Energy: 1.910327467909831
Energy: 1.1770640186709962
Energy: 1.753570363350739
Energy: 1.456040705730129
Energy: 1.7535703633519208
Energy: 1.456040705730129
Energy: 1.7535703633519208
Energy: 1.456040705730129
Energy: 1.1866165743159993
Energy: 1.8641265296549265
Energy: 1.1866165743165906
Energy: 1.8641265296555178
Energy: 1.1866165743159993
Energy: 1.8641265296555178
Energy: 1.4302784442167775
Energy: 1.1824402102655736
Energy: 1.4302784442161864
Energy: 1.1824402102655736
Energy: 1.4302784442179595
Energy: 1.1824402102655736
Energy: 1.495992399572887
Energy: 1.244786296941758
Energy: 1.4959923995722961
Energy: 1.2447862969411667
Energy: 1.4959923995722961
Energy: 1.2447862969405759
Energy: 1.0990362019339501
Energy: 1.595145330148301
Energy: 1.0990362019339501
Energy: 1.5951453301512293
Energy: 1.0990362019339501
Energy: 1.5951453301376628
Energy: 1.5469181727168695
Energy: 1.1803530574031544
Energy: 1.5469181727174603
Energy: 1.1803530574031544
Energy: 1.5469181727168695
Energy: 1.1803530574025636
Energy: 1.1888694513066764
Energy: 1.8853813042729495
Energy: 1.189533286672887
Energy: 1.8853813042729495
Energy: 1.1888694513072675
Energy: 1.8853813042735403
Energy: 1.5565559816318402
Energy: 1.5848340311119458
Energy: 1.5497126189089527
Energy: 1.5848340311113818
Energy: 1.5565559816306582
Energy: 1.5848340311107907
Energy: 1.6475048796215508
Energy: 1.1714678758190753
Energy: 1.5637924459471282
Energy: 1.1714678758196664
Energy: 1.6475048796215508
Energy: 1.1714678758190753
Energy: 1.7535703633501478
Energy: 1.4560407057295381
Energy: 1.75357036335133
Energy: 1.4560407057289468
Energy: 1.75357036335133
Energy: 1.4560407057295381
Energy: 1.1866165743159993
Energy: 1.8641265296555178
Energy: 1.1866165743159993
Energy: 1.8641265296555178
Energy: 1.1866165743159993
Energy: 1.8641265296561087
Energy: 1.4302784442161864
Energy: 1.180320387084913
Energy: 1.4302784442173686
Energy: 1.1803203870855041
Energy: 1.4302784442150045
Energy: 1.1803203870843222
Energy: 1.4959923995717048
Energy: 1.2484202712086616
Energy: 1.4959923995722961
Energy: 1.2484202712092523
Energy: 1.4959923995717048
Energy: 1.2484202712086616
Energy: 1.169249012411021
Energy: 1.4422989030440783
Energy: 1.1689433319597433
Energy: 1.4422989030440783
Energy: 1.1692490124104298
Energy: 1.4422989030440783
Energy: 1.5469181727174603
Energy: 1.1803530574031544
Energy: 1.5469181727174603
Energy: 1.1803530574025636
Energy: 1.5469181727174603
Energy: 1.1803530574037455
Energy: 1.1871044105711488
Energy: 1.8853813042735403
Energy: 1.1871419118821784
Energy: 1.8853813042717675
Energy: 1.1871044105717397
Energy: 1.8853813042735403
Energy: 1.4477217630024837
Energy: 1.5848340311107907
Energy: 1.4477942181871857
Energy: 1.5848340311125366
Energy: 1.4477217630007106
Energy: 1.5848340311107907
Energy: 1.910327467909831
Energy: 1.177064018669814
Energy: 1.9103280377285128
Energy: 1.177064018669814
Energy: 1.910327467909831
Energy: 1.177064018670405
Energy: 1.753570363350739
Energy: 1.456040705731902
Energy: 1.753570363350739
Energy: 1.456040705731902
Energy: 1.7535703633495565
Energy: 1.456040705731902
Energy: 1.1866165743171815
Energy: 1.8641265296555178
Energy: 1.1866165743171815
Energy: 1.8641265296555178
Energy: 1.1866165743171815
Energy: 1.8641265296555178

minimum gb energy = 1.0990362019339501 eV
minimum distance =  2.27998535708547 Angstroms
sigma value = 27


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

Energy: 1.4489813344324494
Energy: 0.9486191022286095
Energy: 1.4489813344324494
Energy: 0.9486191022300572
Energy: 1.4489813344324494
Energy: 0.9486191022300572
Energy: 1.8207705694788676
Energy: 0.993173353006332
Energy: 1.8207705694470182
Energy: 0.993173353006332
Energy: 1.820770569386248
Energy: 0.993173353006332
Energy: 0.9607089792468819
Energy: 1.4384258636829987
Energy: 0.9607089792454342
Energy: 1.4384258636829987
Energy: 0.9607089792439866
Energy: 1.4384258636829987
Energy: 1.308834267484451
Energy: 0.9206281131426843
Energy: 1.308834267484451
Energy: 0.9206281131412367
Energy: 1.308834267484451
Energy: 0.9206281131426843
Energy: 1.3073492997677194
Energy: 0.9195980077799545
Energy: 1.307349299769167
Energy: 0.9195980077799545
Energy: 1.3073492997677194
Energy: 0.9195980077785068
Energy: 1.2531652111128757
Energy: 1.4125457740950067
Energy: 1.2531652111143234
Energy: 1.412545774092144
Energy: 1.2531652111143234
Energy: 1.412545774092144
Energy: 1.1502033191396197
Energy: 0.9944969358626798
Energy: 1.1502033191396197
Energy: 0.9944969358612322
Energy: 1.1502033191381718
Energy: 0.9944969358612322
Energy: 1.2255272149791698
Energy: 0.9525015940515308
Energy: 1.2255272149806173
Energy: 0.952501594050083
Energy: 1.2255272149806173
Energy: 0.9525015940515308
Energy: 1.5278199298490913
Energy: 0.9597666764634775
Energy: 1.5278199298490913
Energy: 0.95976667690338
Energy: 1.5278199298476436
Energy: 0.9597666609553831
Energy: 1.1617616793436008
Energy: 1.384291848500099
Energy: 1.1617616793407053
Energy: 1.3842918485015467
Energy: 1.1617616793436008
Energy: 1.3842918485015467
Energy: 1.1059377012733944
Energy: 0.9203361076435335
Energy: 1.1059377012733944
Energy: 0.9203361076435335
Energy: 1.1059377012719467
Energy: 0.9203361076435335
Energy: 1.3854328118285233
Energy: 1.2071134032835862
Energy: 1.3854328118271086
Energy: 1.2071134032835862
Energy: 1.3854328118285233
Energy: 1.207113403285034

minimum gb energy = 0.9195980077785068 eV
minimum distance =  2.34873263383052 Angstroms
sigma value = 9


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

Energy: 1.2137802550331014
Energy: 1.097151226558735
Energy: 1.2137802550322878
Energy: 1.097151226560769
Energy: 1.2137802550326948
Energy: 1.097151226560769
Energy: 1.4996290725983759
Energy: 1.041142525428866
Energy: 1.4996290726016301
Energy: 1.0411425254296796
Energy: 1.4996290726117991
Energy: 1.1206126935347274
Energy: 1.0308871093225414
Energy: 1.4889784391935503
Energy: 1.0308871093241685
Energy: 1.4889784390825396
Energy: 1.0308871093217278
Energy: 1.4889784387845268
Energy: 1.2010995467237282
Energy: 1.0573318121475794
Energy: 1.201099546724135
Energy: 1.0573318121447322
Energy: 1.2010995467245418
Energy: 1.0573318121467659
Energy: 0.9339956407082389
Energy: 1.0144937494214858
Energy: 0.933995640706612
Energy: 1.0144937494222994
Energy: 0.9339956407070187
Energy: 1.0144937494239266
Energy: 1.0894391100633558
Energy: 0.7986845230562363
Energy: 1.0894391100739318
Energy: 0.8652076856551075
Energy: 1.0894391100653895
Energy: 0.9159578879475736
Energy: 1.1736557148698805
Energy: 1.1120716582621022
Energy: 1.1736557148711009
Energy: 1.1120716582612886
Energy: 1.1736557148702875
Energy: 1.1120716582612886
Energy: 1.0233438062828129
Energy: 1.073763544948451
Energy: 1.023343806282406
Energy: 1.0737635449435698
Energy: 1.0233438062828129
Energy: 1.0737635449460103
Energy: 1.7926424107614953
Energy: 1.0138372357219543
Energy: 1.7926424107610883
Energy: 1.013837235722361
Energy: 1.792642410760275
Energy: 1.0138372357215475
Energy: 1.108590557675485
Energy: 1.5457990207656713
Energy: 1.1085905576771122
Energy: 1.5457990207672985
Energy: 1.1085905576750785
Energy: 1.5457990207644512
Energy: 1.1889993744551195
Energy: 1.0571370876905082
Energy: 1.188999374454306
Energy: 1.0571370876909147
Energy: 1.1889993744563399
Energy: 1.0571370876901012
Energy: 0.9827093583235889
Energy: 1.1758490648232487
Energy: 0.9827093583227753
Energy: 1.1758490648260962
Energy: 0.9827093583235889
Energy: 1.1758490648248758
Energy: 1.2276357688556847
Energy: 1.065745117741184
Energy: 1.2276374662165768
Energy: 1.065745117741184
Energy: 1.2276390674688136
Energy: 1.0657451177419976
Energy: 1.2069234963783138
Energy: 1.357126493697369
Energy: 1.2069234963888895
Energy: 1.3571264937006233
Energy: 1.2069234963941777
Energy: 1.3571264936998098
Energy: 1.0495028603160201
Energy: 1.0473802878389071
Energy: 1.0495028603160201
Energy: 1.047380287845009
Energy: 1.0495028603156134
Energy: 1.0473802878437886
Energy: 1.2759137490004966
Energy: 1.1991228804778395
Energy: 1.2759137490021235
Energy: 1.1991228590323757
Energy: 1.2759137490021235
Energy: 1.1991228277479382
Energy: 1.2422456763173333
Energy: 1.4850102311068638
Energy: 1.242245676323028
Energy: 1.4850102310991349
Energy: 1.2422456763181469
Energy: 1.4850102310617124
Energy: 1.0618381204602199
Energy: 0.9323694517246092
Energy: 1.0618381204606266
Energy: 0.9323694517258296
Energy: 1.0618381204610334
Energy: 0.9323694517278635
Energy: 0.887753685312853
Energy: 1.267677957276193
Energy: 0.887753685312853
Energy: 1.2676779572770065
Energy: 0.8877536853140733
Energy: 1.2676779572782269
Energy: 1.3492529731038463
Energy: 1.041368850967768
Energy: 1.349252973097338
Energy: 1.041368850968175
Energy: 1.3492529731018124
Energy: 1.0413688509673615
Energy: 1.019321509572619
Energy: 1.2681488796118028
Energy: 1.019321509572619
Energy: 1.26814887961343
Energy: 1.019321509572619
Energy: 1.2681488796126164
Energy: 1.0612912810576043
Energy: 0.9322565439347978
Energy: 1.0612912810588244
Energy: 0.9322565439303233
Energy: 1.0612912810576043
Energy: 0.9322565439356113
Energy: 1.2422750084883578
Energy: 1.4277419487568888
Energy: 1.2422750084883578
Energy: 1.4277050020691013
Energy: 1.2422750084875442
Energy: 1.0323138240012142
Energy: 1.2710025044496238
Energy: 1.194381248274759
Energy: 1.2710025044443356
Energy: 1.1943812482536442
Energy: 1.271002504454505
Energy: 1.1943812482560847
Energy: 1.049309470658679
Energy: 0.9876214890145242
Energy: 1.0493094706615262
Energy: 0.9876214890173716
Energy: 1.049309470658679
Energy: 0.9876214890149311
Energy: 1.2070698329633975
Energy: 1.1104906224960205
Energy: 1.2070698329605503
Energy: 1.110490622496834
Energy: 1.2070698329621772
Energy: 1.1104906224948004
Energy: 1.228093716667552
Energy: 1.0657701871950167
Energy: 1.2280936370475999
Energy: 1.0657701871974572
Energy: 1.2280935494914968
Energy: 1.0657701871978642
Energy: 0.9827094656321144
Energy: 1.068218558798389
Energy: 0.9827094656308941
Energy: 1.068132836474785
Energy: 0.9827094656308941
Energy: 0.8286725636875143
Energy: 1.1889292796440962
Energy: 1.0581541680577258
Energy: 1.188929279642469
Energy: 1.0581541680581326
Energy: 1.1889292796440962
Energy: 1.0581541680589461
Energy: 1.1082058858641497
Energy: 1.5327876519000885
Energy: 1.1082058858633361
Energy: 1.5327876518923598
Energy: 1.1082058858629293
Energy: 1.5327876518960208
Energy: 1.7923760813854024
Energy: 1.0144992392339123
Energy: 1.792376081385809
Energy: 1.0144992392330987
Energy: 1.7923760813845888
Energy: 1.0144992392339123
Energy: 1.0231038960438426
Energy: 1.0740330849566453
Energy: 1.023103896041439
Energy: 1.0740330849603064
Energy: 1.0231038960438426
Energy: 1.0740330849619333
Energy: 1.17390638069469
Energy: 1.1123764358915242
Energy: 1.1739063806999783
Energy: 1.1123764358919312
Energy: 1.1739063806979444
Energy: 1.112376435893965
Energy: 1.0917083810397685
Energy: 0.704130893796116
Energy: 1.0917083810430226
Energy: 0.671069300763641
Energy: 1.0917083810430226
Energy: 0.6598136807105413
Energy: 0.9340862642153585
Energy: 1.0144130301733656
Energy: 0.9340862642169856
Energy: 1.0144130301729588
Energy: 0.934086264216172
Energy: 1.014413030170518
Energy: 1.201180425529291
Energy: 1.05719753091578
Energy: 1.2011804255288843
Energy: 1.0571975309170003
Energy: 1.2011804255296978
Energy: 1.0571975309170003
Energy: 1.030751193596368
Energy: 1.4891153013994622
Energy: 1.0307511935947409
Energy: 1.4891153010253837
Energy: 1.0307511935947409
Energy: 1.489115300252451
Energy: 1.4998261739654708
Energy: 1.0242840216400684
Energy: 1.4998261739662844
Energy: 1.0242840216425089
Energy: 1.4998261739752332
Energy: 1.0242840216392548
Energy: 1.2137802550396097
Energy: 1.0971512265619894
Energy: 1.2137802550383896
Energy: 1.0971512265636165
Energy: 1.2137802550383896
Energy: 1.0971512265636165
Energy: 1.4996290726179005
Energy: 1.000400535387069
Energy: 1.4996290726227448
Energy: 1.0004005353862555
Energy: 1.4996290726183075
Energy: 1.0004005353878827
Energy: 1.0308871093274223
Energy: 1.4889784391805336
Energy: 1.0308871093274223
Energy: 1.4889784390829464
Energy: 1.0308871093274223
Energy: 1.4889784387881877
Energy: 1.201099546722101
Energy: 1.05733181213741
Energy: 1.2010995467216945
Energy: 1.057331812141071
Energy: 1.201099546722508
Energy: 1.0573318121406643
Energy: 0.9339956406972562
Energy: 1.0144937494202655
Energy: 0.933995640697663
Energy: 1.0144937494162347
Energy: 0.9339956406984765
Energy: 1.0144937494174553

minimum gb energy = 0.6598136807105413 eV
minimum distance =  2.35405825482558 Angstroms
sigma value = 57


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

Energy: 1.4564838025220233
Energy: 1.286823997257549
Energy: 1.2535545202040888
Energy: 1.2868239972584747
Energy: 1.4564838025220233
Energy: 1.286823997257549
Energy: 0.9358966874330366
Energy: 0.7933863675763312
Energy: 0.9358966874330366
Energy: 0.7933863675754053
Energy: 0.9358966874321107
Energy: 0.7933863675791091
Energy: 1.0713219182228222
Energy: 1.260838861680142
Energy: 1.0713219182237481
Energy: 1.2608388616792163
Energy: 1.0713219182228222
Energy: 1.2608388616782902
Energy: 1.1606230007578024
Energy: 1.1356351339833528
Energy: 1.197662640697344
Energy: 1.1356351339833528
Energy: 1.1606230007578024
Energy: 1.1356351339833528
Energy: 0.7477160575778791
Energy: 0.9369212490627049
Energy: 0.7477160575788049
Energy: 0.9369212490627049
Energy: 0.7477160575778791
Energy: 0.9369212490617789
Energy: 1.0190867389302973
Energy: 1.0882735151421175
Energy: 1.0192746396088561
Energy: 1.0882735151393395
Energy: 1.0190867389302973
Energy: 1.0882735151374878
Energy: 1.0195832180647986
Energy: 0.8405093554156661
Energy: 1.0195722308683346
Energy: 0.840509355417518
Energy: 1.0195832180647986
Energy: 0.8405093554184441
Energy: 0.9280656009302772
Energy: 0.7561055749997255
Energy: 0.928065600931203
Energy: 0.7561055749997255
Energy: 0.928065600931203
Energy: 0.7561055749987996
Energy: 1.0600209757524062
Energy: 1.1355833713528076
Energy: 1.060020975753332
Energy: 1.1355833713509558
Energy: 1.060020975753332
Energy: 1.1355833713509558
Energy: 0.8505986865548337
Energy: 1.3384741485524299
Energy: 0.8505986865548337
Energy: 1.3384741485505778
Energy: 0.8505986865548337
Energy: 1.338474148551504
Energy: 0.7496721252693517
Energy: 1.4454729634510939
Energy: 0.7496721252702776
Energy: 1.4454729634520198
Energy: 0.7496721252702776
Energy: 1.445472963450168
Energy: 1.4564838025229492
Energy: 1.2868239972584747
Energy: 1.253554520205015
Energy: 1.2868239972584747
Energy: 1.4564838025229492
Energy: 1.2868239972584747
Energy: 0.9358966874330366
Energy: 0.7933863675763312
Energy: 0.9358966874330366
Energy: 0.7933863675781831
Energy: 0.9358966874321107
Energy: 0.7933863675772571
Energy: 1.0713219182237481
Energy: 1.2608388616792163
Energy: 1.0713219182237481
Energy: 1.260838861680142
Energy: 1.071321918224674
Energy: 1.2608388616782902
Energy: 1.1606230007568765
Energy: 1.1356351339824269
Energy: 1.197662640697344
Energy: 1.1356351339833528
Energy: 1.1606230007568765
Energy: 1.1356351339833528
Energy: 0.7477160575788049
Energy: 0.9369212490627049
Energy: 0.7477160575778791
Energy: 0.9369212490636307
Energy: 0.7477160575778791
Energy: 0.9369212490627049
Energy: 1.0190867389302973
Energy: 1.0882735151430436
Energy: 1.0192746396088561
Energy: 1.0882735151402656
Energy: 1.0190867389302973
Energy: 1.0882735151393395
Energy: 1.0195832180647986
Energy: 0.8405093554165922
Energy: 1.0195722308683346
Energy: 0.8405093554147403
Energy: 1.0195832180647986
Energy: 0.8405093554138143
Energy: 0.9280656009302772
Energy: 0.7561055749997255
Energy: 0.9280656009302772
Energy: 0.7561055749997255
Energy: 0.9280656009293512
Energy: 0.7561055749997255

minimum gb energy = 0.7477160575778791 eV
minimum distance =  2.47468353165754 Angstroms
sigma value = 11


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

Energy: 0.9642654190311113
Energy: 1.0837864884710593
Energy: 0.9642654190290765
Energy: 1.083786488468346
Energy: 0.9642654190277198
Energy: 1.0837864884697028
Energy: 1.1600534398325597
Energy: 1.0612691679709814
Energy: 1.160053439833238
Energy: 1.0612691679757291
Energy: 1.1600534398325597
Energy: 1.0612691679743727
Energy: 1.0090895190728382
Energy: 1.4152653065571554
Energy: 1.0090895190735163
Energy: 1.4152653065449465
Energy: 1.1020897045678786
Energy: 1.4152653065490162
Energy: 1.3534050794773185
Energy: 0.8342321712020235
Energy: 1.3534050794752834
Energy: 0.8342321712047366
Energy: 1.3534050794752834
Energy: 0.8342321712040583
Energy: 1.0578705671265218
Energy: 0.7954640958977683
Energy: 1.0578705671285566
Energy: 0.79546409589709
Energy: 1.0578705671278783
Energy: 0.7954640958977683
Energy: 0.9843400523445393
Energy: 1.1926109360832484
Energy: 0.9843400523425045
Energy: 1.1926109360832484
Energy: 0.984340052343861
Energy: 1.192610936081892
Energy: 0.7910066493898555
Energy: 1.356155625146635
Energy: 0.7910066493878207
Energy: 1.356155625146635
Energy: 0.7910066493898555
Energy: 1.3561556251479914
Energy: 1.0839931239538774
Energy: 0.7705602692891103
Energy: 1.0839931239545557
Energy: 0.7705602692897885
Energy: 1.0839931239545557
Energy: 0.7705602692891103
Energy: 1.0896070765148447
Energy: 0.7671620637575328
Energy: 1.089607076513488
Energy: 0.7671620637568545
Energy: 1.089607076513488
Energy: 0.767162063755498
Energy: 0.7927690544055426
Energy: 1.3942708281838838
Energy: 0.7927690544021512
Energy: 1.3942708281838838
Energy: 0.7927690544014729
Energy: 1.3942708281832052
Energy: 0.9792798713233358
Energy: 1.3950368066056305
Energy: 0.979279871026374
Energy: 1.395036806604274
Energy: 0.9792798712101253
Energy: 1.395036806604274
Energy: 1.0582506493892092
Energy: 0.7997935872933088
Energy: 1.0582506493878527
Energy: 0.7997935872960219
Energy: 1.0582506493885309
Energy: 0.7997935872939871
Energy: 1.0880246194936016
Energy: 0.8906488198617561
Energy: 1.088024619492923
Energy: 0.8906488198617561
Energy: 1.0880246194936016
Energy: 0.8906488198603996
Energy: 1.2040570182546637
Energy: 1.3930782724846613
Energy: 1.2040570182553418
Energy: 1.3930782724528439
Energy: 1.2040570182546637
Energy: 1.3930782723938337
Energy: 1.186281324599917
Energy: 1.0813458474845554
Energy: 1.1862813245992387
Energy: 1.081345847485912
Energy: 1.1862813245992387
Energy: 1.0813458474852335
Energy: 1.1101017537442375
Energy: 1.081239619312563
Energy: 1.1101017537435593
Energy: 1.081239619312563
Energy: 1.1101017537435593
Energy: 1.0812396193132414
Energy: 0.9461569205867887
Energy: 1.0233547232908926
Energy: 0.9461569205874669
Energy: 1.023354723291571
Energy: 0.9461569205867887
Energy: 1.0233547232922489
Energy: 1.4725565336609123
Energy: 1.2028412590261681
Energy: 1.4725565336615907
Energy: 1.2028412589393487
Energy: 1.4725565336615907
Energy: 1.2028412588302078
Energy: 1.3511263650479168
Energy: 0.8254532422777432
Energy: 1.3511263650492735
Energy: 0.8254532422729952
Energy: 1.351126365047239
Energy: 0.8254532422777432
Energy: 1.0635030334836677
Energy: 0.9508475764606702
Energy: 1.0635030334836677
Energy: 0.9508475764613485
Energy: 1.063503033484346
Energy: 0.9508475764599919
Energy: 0.8028730671051875
Energy: 1.1637782894456392
Energy: 0.8028730671051875
Energy: 1.1637782894436044
Energy: 0.8028730671072224
Energy: 1.1637782894456392
Energy: 1.008960232629269
Energy: 1.3536443368017521
Energy: 1.0089602325574334
Energy: 1.3536443368024305
Energy: 1.0089602326028164
Energy: 1.3536443368024305
Energy: 1.0860472338897966
Energy: 0.9545528028933313
Energy: 1.0860472338897966
Energy: 0.9545528028953663
Energy: 1.08604723388844
Energy: 0.9545528028953663
Energy: 1.0841644436070819
Energy: 0.9283991527457747
Energy: 1.0841644436077602
Energy: 0.9283991527491662
Energy: 1.0841644436070819
Energy: 0.9283991527498445
Energy: 0.8117120348349783
Energy: 1.3758009308997603
Energy: 0.8117120348356566
Energy: 1.3758009308997603
Energy: 0.8117120348356566
Energy: 1.3758009309004384
Energy: 1.6348435982783507
Energy: 1.4465908878809584
Energy: 1.6348432008570757
Energy: 1.4465908878823146
Energy: 1.6348415459058843
Energy: 1.4465908878802798

minimum gb energy = 0.767162063755498 eV
minimum distance =  2.33090850961446 Angstroms
sigma value = 41


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

Energy: 1.17326038137864
Energy: 0.9539692946995533
Energy: 1.0645967678109904
Energy: 0.9539692946995533
Energy: 1.173260381378105
Energy: 0.9539692946995533
Energy: 1.1884111822682497
Energy: 1.2256115874328806
Energy: 1.1884111822677152
Energy: 1.225611587432346
Energy: 1.1884111822687846
Energy: 1.225611587433415
Energy: 1.1950358080953107
Energy: 1.5591315186607848
Energy: 1.1950358080958454
Energy: 1.5591315186586463
Energy: 1.1950358080953107
Energy: 1.5591315186597154
Energy: 1.2094936016444569
Energy: 0.9604729808018516
Energy: 1.2094936016449913
Energy: 0.960472980801317
Energy: 1.209493601643922
Energy: 0.960472980801317
Energy: 0.8777090371595888
Energy: 0.9878931404608815
Energy: 0.8777232840723096
Energy: 0.9878931404603469
Energy: 0.8777090371595888
Energy: 0.9878931404603469
Energy: 1.1116991218062744
Energy: 1.3818748836390937
Energy: 1.111699121804136
Energy: 1.3818748836390937
Energy: 1.111699121806809
Energy: 1.3818748836390937
Energy: 0.9188775540289967
Energy: 1.3840809072566034
Energy: 0.918877554030066
Energy: 1.3840809072555342
Energy: 0.9188775540295313
Energy: 1.384080907257138
Energy: 0.9934160584936192
Energy: 0.9602795252230487
Energy: 0.9933035868132272
Energy: 0.9602795252230487
Energy: 0.9934160584941538
Energy: 0.9602795252225141
Energy: 0.8330985705023776
Energy: 1.0631338287524983
Energy: 0.8330985705029124
Energy: 1.0631338287519636
Energy: 0.8330985705029124
Energy: 1.0631338287519636
Energy: 0.8818271673091292
Energy: 1.566608356849161
Energy: 0.8818271673118024
Energy: 1.56660835685023
Energy: 0.8818271673112678
Energy: 1.566608356849161
Energy: 0.881496181995447
Energy: 1.464125391675645
Energy: 0.881496181995447
Energy: 1.4641253916761796
Energy: 0.881496181995447
Energy: 1.4641253916761796
Energy: 0.9004271565900794
Energy: 1.1336975633575552
Energy: 0.900427156590614
Energy: 1.1336975633575552
Energy: 0.900427156590614
Energy: 1.1336975633575552
Energy: 0.9115986864929193
Energy: 0.9466940363128464
Energy: 0.9115986864929193
Energy: 0.9466940363128464
Energy: 0.9115986864929193
Energy: 0.9466940363128464
Energy: 0.8675222413002993
Energy: 1.3663377487820594
Energy: 0.8676460844783064
Energy: 1.3663377487820594
Energy: 0.8675222413002993
Energy: 1.3663377487820594
Energy: 1.0892267057218639
Energy: 1.415521366438688
Energy: 1.0892267057223985
Energy: 1.415521366438688
Energy: 1.0892267057218639
Energy: 1.415521366438688
Energy: 0.874279326058769
Energy: 1.2192963450507939
Energy: 0.8742793260571652
Energy: 1.2192963450507939
Energy: 0.8742793260593036
Energy: 1.2192963450507939
Energy: 0.9549908007278736
Energy: 0.9456308752340423
Energy: 0.9776549577823048
Energy: 0.9456308752324385
Energy: 0.9549908007300122
Energy: 0.9456308752340423
Energy: 1.1388427168268023
Energy: 1.6549467084862841
Energy: 1.1389578626361867
Energy: 1.6549467079807492
Energy: 1.1388427168268023
Energy: 1.6549467066972288
Energy: 1.1101378855460695
Energy: 1.252779910381034
Energy: 1.1101378855455348
Energy: 1.252779910380499
Energy: 1.1101378855460695
Energy: 1.252779910380499
Energy: 1.1810224624254373
Energy: 1.3278340679840785
Energy: 0.9969049465476336
Energy: 1.327834067984613
Energy: 1.1810224624243681
Energy: 1.3278340679840785
Energy: 0.8954821011335599
Energy: 1.2875758548139156
Energy: 0.8954821011335599
Energy: 1.2875758548128462
Energy: 0.8954821011330252
Energy: 1.2875758548133807
Energy: 1.1684582084904596
Energy: 1.4748029712928041
Energy: 1.1684582084893904
Energy: 1.4748029712917348
Energy: 1.1684582084904596
Energy: 1.474802971290131
Energy: 1.0813049221062003
Energy: 0.9572521707455534
Energy: 1.081304922106735
Energy: 0.9572521707460879
Energy: 1.081304922106735
Energy: 0.9572521707455534
Energy: 0.874941834038295
Energy: 1.3351279528233342
Energy: 0.874382086521845
Energy: 1.3351279528233342
Energy: 0.8749418340388296
Energy: 1.335127952824938
Energy: 0.8613622563341892
Energy: 1.2835269102789275
Energy: 0.8613622563341892
Energy: 1.283526910279462
Energy: 0.86136225633312
Energy: 1.283526910279462
Energy: 1.0538374258484315
Energy: 0.7701615818429947
Energy: 1.053837425848966
Energy: 0.7701615917633768
Energy: 1.053837425848966
Energy: 0.770161571995269
Energy: 0.9858154225153031
Energy: 0.945185125103392
Energy: 0.9862099770495141
Energy: 0.9451851251023229
Energy: 0.9858154225147685
Energy: 0.945185125103392
Energy: 0.8201595274414043
Energy: 1.297798982356715
Energy: 0.8201595274403352
Energy: 1.297798982356715
Energy: 0.8201595274403352
Energy: 1.2977989823572498
Energy: 0.8821463430812024
Energy: 1.3040001834857193
Energy: 0.8821463430822718
Energy: 1.304000183486254
Energy: 0.8821463430801334
Energy: 1.3040001834857193
Energy: 1.350557724067623
Energy: 0.9423434694417369
Energy: 1.3505577240670885
Energy: 0.9423434694412024
Energy: 1.3505577240681577
Energy: 0.9423434694417369
Energy: 0.8984969921022492
Energy: 1.0568909823528418
Energy: 0.8984969921017145
Energy: 1.0568909823544457
Energy: 0.8984969921017145
Energy: 1.0568909823528418
Energy: 0.9067025368140732
Energy: 0.9460489247756405
Energy: 0.9067025368135389
Energy: 0.9460489247761752
Energy: 0.9067025368135389
Energy: 0.9460489247761752
Energy: 0.8614680460829804
Energy: 1.150227525822999
Energy: 0.8615523649244149
Energy: 1.150227525823534
Energy: 0.8614680460845843
Energy: 1.150227525823534

minimum gb energy = 0.770161571995269 eV
minimum distance =  2.38126422095351 Angstroms
sigma value = 33


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

Energy: 0.9379708046927436
Energy: 0.8211938033313695
Energy: 0.9379708046912429
Energy: 0.8211938033287773
Energy: 0.9379708046927436
Energy: 0.8211938033325291
Energy: 1.2415508460877844
Energy: 0.736240598162207
Energy: 1.2415508460758466
Energy: 0.7362405981566132
Energy: 1.2415508460941966
Energy: 0.7362405981566132
Energy: 1.5175132518323373
Energy: 1.639858202364312
Energy: 1.5175132518315868
Energy: 1.639858202364312
Energy: 1.5175132518304957
Energy: 1.6398582023650625
Energy: 1.1546952800127044
Energy: 0.8155476008162867
Energy: 1.1546952800089525
Energy: 0.8155476008174464
Energy: 1.154695280010112
Energy: 0.815547600817037
Energy: 0.8194397700671242
Energy: 1.4412039029768982
Energy: 0.8194397700671242
Energy: 1.4412039029750565
Energy: 0.8194397700671242
Energy: 1.4412039029753976
Energy: 1.1617855392524448
Energy: 0.8569691561447826
Energy: 1.1617855392536045
Energy: 0.8569691561462833
Energy: 1.161785539254355
Energy: 0.8569691561485345
Energy: 0.9718001561372338
Energy: 0.898103611048004
Energy: 0.9718001561372338
Energy: 0.8981036110460939
Energy: 0.9718001561353239
Energy: 0.8981036110460939
Energy: 0.8984520249143092
Energy: 0.8530531526489348
Energy: 0.8984520249150596
Energy: 0.8530531526526867
Energy: 0.8984520249154007
Energy: 0.8530531526526867
Energy: 1.4311872409985258
Energy: 0.8485205267014917
Energy: 1.431187240996684
Energy: 0.8485205267014917
Energy: 1.4311872409974344
Energy: 0.8485205267082452
Energy: 1.2441122237540878
Energy: 0.7961371237138039
Energy: 1.2441122237480848
Energy: 0.7961371237205573
Energy: 1.2441122237522462
Energy: 0.7961371237224674
Energy: 0.8840427878448139
Energy: 1.0781707846126682
Energy: 0.8840427878523176
Energy: 1.0781707846194217
Energy: 0.884042787847065
Energy: 1.0781707846168296
Energy: 1.432983769870205
Energy: 0.815282489117921
Energy: 1.4329837698709555
Energy: 0.8152824891126683
Energy: 1.4329837698682952
Energy: 0.8152824891164203
Energy: 0.8596015396333769
Energy: 1.442626449765633
Energy: 0.8596015396341272
Energy: 1.4426264497652919
Energy: 0.8596015396330358
Energy: 1.4426264497652919
Energy: 0.8536783587699981
Energy: 0.8888183749932098
Energy: 0.8536783587695888
Energy: 0.8888183749992128
Energy: 0.8536783587729996
Energy: 0.8888183749962113
Energy: 0.8587097205258368
Energy: 0.9699359569217252
Energy: 0.8587097205321809
Energy: 0.9699359569243173
Energy: 0.8587097205321809
Energy: 0.969935956923567
Energy: 0.8605957224192609
Energy: 1.1741214940243174
Energy: 0.8605957224211027
Energy: 1.17412149402957
Energy: 0.8605957224177601
Energy: 1.174121494025818
Energy: 1.4359781629717703
Energy: 0.8221036350924411
Energy: 1.4359781629747717
Energy: 0.8221036350927821
Energy: 1.4359781629740211
Energy: 0.8221036350939418
Energy: 0.8324547712883061
Energy: 1.148688546215678
Energy: 0.8324547712890565
Energy: 1.148688546216019
Energy: 0.8324547712883061
Energy: 1.148688546216019
Energy: 1.2415574733016388
Energy: 1.1232941828175034
Energy: 1.2415574733027301
Energy: 1.123298492844596
Energy: 1.2415574732899737
Energy: 1.123290780252584
Energy: 1.444993247157826
Energy: 0.8822840940278645
Energy: 1.4449932471589857
Energy: 0.8822840940297062
Energy: 1.444993247157826
Energy: 0.8822840940267047
Energy: 0.8275811557530001
Energy: 0.9332650268643307
Energy: 0.8275811557541597
Energy: 0.9332650268643307
Energy: 0.8275811557519086
Energy: 0.9332650268643307
Energy: 0.7334450088625145
Energy: 1.236300498252128
Energy: 0.7334450088587627
Energy: 1.236300498245375
Energy: 0.7334450088617641
Energy: 1.2363004982525372
Energy: 1.3084330152815726
Energy: 1.2481481060892377
Energy: 1.308433015280413
Energy: 1.2481481060884871
Energy: 1.3084330152796626
Energy: 1.2481481060892377
Energy: 0.812616016857276
Energy: 1.1617695912063857
Energy: 0.8126160168561847
Energy: 1.1617695912131394
Energy: 0.8126160168584359
Energy: 1.1617695912090464
Energy: 1.432484183562485
Energy: 0.8220322317334635
Energy: 1.432484183562485
Energy: 0.8220322317338046
Energy: 1.432484183562076
Energy: 0.8220322317323038
Energy: 0.8710370305807769
Energy: 1.1505259888662585
Energy: 0.8710370305924416
Energy: 1.1505259888703514
Energy: 0.871037030583028
Energy: 1.1505259888703514
Energy: 1.2463685613125282
Energy: 0.8060577582492728
Energy: 1.2463685613170306
Energy: 0.8060577582489318
Energy: 1.2463685613215325
Energy: 0.8060577582492728
Energy: 0.9393525611911517
Energy: 0.8121759663739148
Energy: 0.9393525611893098
Energy: 0.8121759663739148
Energy: 0.9393525611923114
Energy: 0.8121759663746653
Energy: 0.8490361824123112
Energy: 1.4414480439715587
Energy: 0.8490361824100602
Energy: 1.441448043972309
Energy: 0.8490361824104011
Energy: 1.4414480439715587
Energy: 0.7923410777735258
Energy: 1.241796250155637
Energy: 0.7923410777768686
Energy: 1.2417962501597979
Energy: 0.7923410777780282
Energy: 1.2417962501612987
Energy: 1.0006091577038052
Energy: 0.8242245220711834
Energy: 1.000609157705306
Energy: 0.8242245220752763
Energy: 1.0006091577027139
Energy: 0.8242245220674316
Energy: 0.8188944810382044
Energy: 1.4362373081145061
Energy: 0.8188944810363625
Energy: 1.4362373081137556
Energy: 0.8188944810348617
Energy: 1.4362373081148472
Energy: 1.4374698277283677
Energy: 0.8615166665645714
Energy: 1.437469827728027
Energy: 0.8615166665630704
Energy: 1.437469827728027
Energy: 0.8615166665657309
Energy: 0.887310145797384
Energy: 0.851654734736571
Energy: 0.8873101457939733
Energy: 0.8516547347346611
Energy: 0.8873101458097311
Energy: 0.8516547347354114
Energy: 0.891935084716524
Energy: 0.8515175124332816
Energy: 0.8919350846959229
Energy: 0.8515175124336225
Energy: 0.8919350847161147
Energy: 0.8515175124347141
Energy: 1.437413986245601
Energy: 0.8715440366368751
Energy: 1.437413986245601
Energy: 0.8715440366379665
Energy: 1.4374139862452602
Energy: 0.8715440366417185
Energy: 0.8225766563287884
Energy: 1.4364985639642924
Energy: 0.822576656325787
Energy: 1.4364985639650425
Energy: 0.8225766563268784
Energy: 1.4364985639650425
Energy: 1.0006927985532807
Energy: 0.8244115059921036
Energy: 1.0006927985525305
Energy: 0.8244115060018583
Energy: 1.0006927985517802
Energy: 0.8244115060022675
Energy: 0.7922524454668693
Energy: 1.2425077816657764
Energy: 0.7922524454702119
Energy: 1.2425077816567716
Energy: 0.7922524454713034
Energy: 1.2425077816530197
Energy: 0.8491137606505668
Energy: 1.4413986326738015
Energy: 0.849113760646815
Energy: 1.4413986326738015
Energy: 0.8491137606543187
Energy: 1.441398632672642
Energy: 0.9392088731956616
Energy: 0.8121722431558274
Energy: 0.9392088731938198
Energy: 0.812172243157328
Energy: 0.9392088731938198
Energy: 0.8121722431486645
Energy: 1.2460571980667619
Energy: 0.8126968304783325
Energy: 1.2460571980656021
Energy: 0.812696830477241
Energy: 1.2460571980667619
Energy: 0.8126968304809247
Energy: 0.871139124624696
Energy: 1.1506265576575063
Energy: 0.8711391246250372
Energy: 1.1506265576563468
Energy: 0.8711391246254463
Energy: 1.1506265576582566
Energy: 1.4325120955782364
Energy: 0.8219014373147475
Energy: 1.4325120955782364
Energy: 0.8219014373147475
Energy: 1.432512095578646
Energy: 0.8219014373139972
Energy: 0.814701267915102
Energy: 1.1631509242149245
Energy: 0.8147012679236971
Energy: 1.1631509242164253
Energy: 0.8147012679161935
Energy: 1.1631509242190174
Energy: 1.3087743677917378
Energy: 1.248523112638147
Energy: 1.3087743677969903
Energy: 1.2485231126373968
Energy: 1.308774367792147
Energy: 1.2485231126324852
Energy: 0.7328981426542979
Energy: 1.2371944320224748
Energy: 0.7328981426501369
Energy: 1.237194432021315
Energy: 0.7328981426516376
Energy: 1.23719443201081

minimum gb energy = 0.7328981426501369 eV
minimum distance =  2.37058226208526 Angstroms
sigma value = 67


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

Energy: 0.9552316797957096
Energy: 0.7300649455392341
Energy: 0.9552316797957096
Energy: 0.7300649455392341
Energy: 0.9552316797957096
Energy: 0.7300649455392341
Energy: 0.9438719544044404
Energy: 0.6752541634324232
Energy: 0.9438719544044404
Energy: 0.6752541634324232
Energy: 0.9438719544019327
Energy: 0.6752541634324232
Energy: 0.8263040269479167
Energy: 0.9694542053220065
Energy: 0.8263040269353792
Energy: 0.9694542053220065
Energy: 0.8263040269479167
Energy: 0.9694542053220065
Energy: 0.9447770531649797
Energy: 0.6744302733932233
Energy: 0.9447770531649797
Energy: 0.6744302733932233
Energy: 0.9447770531649797
Energy: 0.6744302733932233
Energy: 0.9552316797932023
Energy: 0.7300649455392341
Energy: 0.9552316797932023
Energy: 0.7300649455392341
Energy: 0.9552316797932023
Energy: 0.7300649455392341
Energy: 0.9438719544044404
Energy: 0.6752541634324232
Energy: 0.9438719544044404
Energy: 0.6752541634324232
Energy: 0.9438719544044404
Energy: 0.6752541634324232
Energy: 1.314473938049949
Energy: 0.9694542053245141
Energy: 1.314473938049949
Energy: 0.9694542053220065
Energy: 0.933487898636058
Energy: 0.9694542053220065

minimum gb energy = 0.6744302733932233 eV
minimum distance =  2.3794643198135 Angstroms
sigma value = 3


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

Energy: 1.2347648377072928
Energy: 0.8465769256938483
Energy: 1.2347648377038807
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Energy: 0.8935993969014553
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Energy: 1.2130664194097927
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Energy: 0.9919755546108054
Energy: 0.8652989739721688
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Energy: 0.8399674372773898
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Energy: 0.8334856929782469
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Energy: 0.8334856929611856
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Energy: 0.8334856930055449
Energy: 0.9216812262307656
Energy: 0.8466877626383197
Energy: 0.9216812262068799
Energy: 0.8466877626281448
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Energy: 0.9120791296675949
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Energy: 0.9120791296846562
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Energy: 0.8566305339609211
Energy: 1.0266328483713665
Energy: 0.8566305339643334
Energy: 0.786461849823001
Energy: 0.9852947406267772
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Energy: 0.873628624547566
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Energy: 0.8736286245578025
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Energy: 0.8264355761662852
Energy: 0.7977699645092499
Energy: 0.8264355761765219
Energy: 0.7977009602406491
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Energy: 0.8438170186390864
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Energy: 1.1355885344413617
Energy: 0.7801675214318313
Energy: 1.1355885344515981
Energy: 0.7801675214284812
Energy: 1.1355885344481862
Energy: 0.8997450505445544
Energy: 0.9155718176923783
Energy: 0.8997450505411422
Energy: 0.9155718177026151
Energy: 0.8997450505411422
Energy: 0.9155718176992027
Energy: 0.8992113933999317
Energy: 0.8755213021058718
Energy: 0.8992113934033439
Energy: 0.78524738707694
Energy: 0.8992113933999317
Energy: 0.6968711740493636
Energy: 1.190811141570488
Energy: 0.7526112828507586
Energy: 1.1908111415739004
Energy: 0.7526112828507586
Energy: 1.190811141580725
Energy: 0.7526112828507586
Energy: 0.8719803911586356
Energy: 1.1808380167146164
Energy: 0.8719803911552235
Energy: 1.1808380167180286
Energy: 0.871980391148399
Energy: 1.1808380167180286
Energy: 0.884272807431133
Energy: 0.8277884402713255
Energy: 0.8842728074345454
Energy: 0.8277884402815622
Energy: 0.8842728074345454
Energy: 0.8277884402815622
Energy: 0.9741915619240814
Energy: 0.8604117793082443
Energy: 0.9741915619479672
Energy: 0.8604117792877708
Energy: 0.9741915619547917
Energy: 0.860411779277534
Energy: 1.186044629573951
Energy: 0.8031047550709108
Energy: 1.1860446295637146
Energy: 0.8031047550709108
Energy: 1.186044629573951
Energy: 0.8031047550674988
Energy: 0.9720934487232978
Energy: 0.9992051003285342
Energy: 0.9720934487232978
Energy: 0.9992051003421831
Energy: 0.9720934487232978
Energy: 0.9992051003285342
Energy: 0.8626411534408777
Energy: 0.9449304677995416
Energy: 0.8626411534408777
Energy: 0.9449304677995416
Energy: 0.8626411534442899
Energy: 0.9449304678029538
Energy: 0.8801135652213357
Energy: 1.0156733799702549
Energy: 0.8801135651769765
Energy: 1.0156733799258957
Energy: 0.8801135652519841
Energy: 1.0156733799258957
Energy: 0.9847648044277736
Energy: 0.8450811969319959
Energy: 0.9847648044243612
Energy: 0.8450811969319959
Energy: 0.984764804420949
Energy: 0.8450811969319959
Energy: 0.9441803338395371
Energy: 0.8572903714107584
Energy: 0.9441803338463616
Energy: 0.8572903714517055
Energy: 0.944180333849774
Energy: 0.8572903714005837

minimum gb energy = 0.6968711740493636 eV
minimum distance =  2.34323870678233 Angstroms
sigma value = 81


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

Energy: 1.1096714427628624
Energy: 1.0657563608573086
Energy: 0.9966960210649832
Energy: 1.0657563608582452
Energy: 1.1096714427605208
Energy: 1.06575636085965
Energy: 0.9029565970891446
Energy: 0.9408616066286689
Energy: 0.9029565970919544
Energy: 0.9408616066291372
Energy: 0.9029565970942961
Energy: 0.9408616066286689
Energy: 1.191675543744964
Energy: 1.1573892492476203
Energy: 1.1069982559189568
Energy: 1.1573892492476203
Energy: 1.1916755437444957
Energy: 1.1573892492485567
Energy: 1.0826054634717603
Energy: 1.0616801255148125
Energy: 1.082605463472697
Energy: 1.0616801291300888
Energy: 1.0826054634736335
Energy: 1.0616801398139615
Energy: 1.154187660472585
Energy: 0.7637018057049763
Energy: 1.154187660473053
Energy: 0.763701805705913
Energy: 1.154187660472585
Energy: 0.7637018057068495
Energy: 1.0715955884502844
Energy: 0.9592571769855549
Energy: 1.071595588449816
Energy: 0.9592571769766567
Energy: 1.0715955884493478
Energy: 0.95925717698134
Energy: 1.0952839322593628
Energy: 0.9539420425139915
Energy: 1.0644508748261508
Energy: 0.9539420425275729
Energy: 1.0952839322598313
Energy: 0.9539420425228897
Energy: 1.1259361612414451
Energy: 1.133355713188556
Energy: 1.125868038585481
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Energy: 1.1259361612386354
Energy: 1.1333792695975982
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Energy: 1.1020973957988816
Energy: 1.2423360481947827
Energy: 1.1020973957984133
Energy: 1.2423360481929093
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Energy: 1.06313797326738
Energy: 1.387877474350968
Energy: 1.0631379732683168
Energy: 1.387877474351905
Energy: 1.063137973266912
Energy: 1.3878774743514366
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Energy: 0.8886323308519765
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Energy: 0.9810220343003289
Energy: 1.1260974225418672
Energy: 0.8886323308524448
Energy: 1.1260974225432723
Energy: 0.8918183641478611
Energy: 0.979018723658347
Energy: 0.8918183641618683
Energy: 0.9790187236560054
Energy: 0.8918183641347479
Energy: 0.9790187236574104
Energy: 1.0831244299435403
Energy: 1.2128639600679656
Energy: 1.083124429943072
Energy: 1.212863960067497
Energy: 1.0831244299435403
Energy: 1.2128639600665605
Energy: 1.1434215372154402
Energy: 0.7785938134403413
Energy: 1.143421537214035
Energy: 0.7785938134281648
Energy: 1.1434215372145036
Energy: 0.7785938134281648
Energy: 1.124090684388815
Energy: 0.7480999012166354
Energy: 1.1240906843878782
Energy: 0.7480999012194453
Energy: 1.1240906843878782
Energy: 0.7480999012199137
Energy: 1.1488732506302022
Energy: 1.0021052339991026
Energy: 1.1484066129407278
Energy: 1.0021052339986343
Energy: 1.148873250631139
Energy: 1.0021052339991026
Energy: 0.9622720206438953
Energy: 1.342496602978852
Energy: 0.9623691254599664
Energy: 1.342496602978852
Energy: 0.9622720206443637
Energy: 1.3424966029793204
Energy: 1.152158191189236
Energy: 0.9012203835220345
Energy: 1.152158191189236
Energy: 0.9012203797438654
Energy: 1.152158191189236
Energy: 0.9012203900607394
Energy: 1.0981834405092261
Energy: 1.1134486303560485
Energy: 1.0981834400949264
Energy: 1.113448630356985
Energy: 1.0981834400471568
Energy: 1.1134486303565168
Energy: 0.9215882086793965
Energy: 0.9640124514641644
Energy: 0.9215882086789282
Energy: 0.9640124514702526
Energy: 0.9215882086784598
Energy: 0.964012451476341
Energy: 1.0925608762236572
Energy: 0.9606492316727095
Energy: 0.9116027607256443
Energy: 0.960649230663421
Energy: 1.0925608762236572
Energy: 0.9606492315762766
Energy: 1.097275624630214
Energy: 1.0397019052141392
Energy: 0.9503603975892986
Energy: 1.0397019052117975
Energy: 1.0972756246306825
Energy: 1.0397019052117975
Energy: 0.872591004572821
Energy: 1.1230757306348087
Energy: 0.8725910046046247
Energy: 1.1230757306348087
Energy: 0.8725910045835925
Energy: 1.1230757306348087
Energy: 1.1140861776292428
Energy: 1.1624274572428028
Energy: 1.1140861776278377
Energy: 1.1624274572703914
Energy: 1.1140861776292428
Energy: 1.1624274573017694
Energy: 1.147885797117284
Energy: 1.4235715980085262
Energy: 1.1478857971168157
Energy: 1.4235715980066528
Energy: 1.1478857971163474
Energy: 1.4235715980118044
Energy: 0.9317152240798923
Energy: 0.9355946059886088
Energy: 0.9317152240803607
Energy: 0.9355946059862671
Energy: 0.9317152240794239
Energy: 0.9355946059857989
Energy: 1.1287549165155213
Energy: 1.0463223862621809
Energy: 1.119838600005983
Energy: 1.0463223862635858
Energy: 1.1287549165164579
Energy: 1.0463223862631175
Energy: 0.9706506669575296
Energy: 0.8860994054141875
Energy: 0.9709875104213288
Energy: 0.886099405411846
Energy: 0.9706524821529535
Energy: 0.8860994054132508
Energy: 1.151738623280752
Energy: 0.7307476004314163
Energy: 1.151738623279347
Energy: 0.7307476004304796
Energy: 1.1517386232802838
Energy: 0.730747600429543
Energy: 1.0777538649577196
Energy: 1.1448991256780343
Energy: 1.077753864958188
Energy: 1.144899125678971
Energy: 1.0777538649586564
Energy: 1.1448991256794392
Energy: 0.7426931542649268
Energy: 1.1228150615661112
Energy: 0.7426931542663318
Energy: 1.1228150615656427
Energy: 0.7426931542668
Energy: 1.1228150615665795
Energy: 0.888956881796105
Energy: 0.9013452569343221
Energy: 1.047997231410215
Energy: 0.8989830291376549
Energy: 0.8889568817947
Energy: 0.8965866014860614
Energy: 0.9093882228301017
Energy: 1.0265704706197953
Energy: 1.0090428002749054
Energy: 1.0265704706202636
Energy: 0.90938822283057
Energy: 1.0265704706183905
Energy: 0.7013625656766952
Energy: 1.4752357948689363
Energy: 1.019559512889044
Energy: 1.4752357948708097
Energy: 0.7016532366269728
Energy: 1.4752357948708097
Energy: 1.1716715072498034
Energy: 1.1234513321800625
Energy: 1.17167150724793
Energy: 1.1234513316290538
Energy: 1.1716715072488668
Energy: 1.1234513310602912
Energy: 0.9959974787018155
Energy: 0.9227237750377227
Energy: 0.9959956417856549
Energy: 0.9227237750381909
Energy: 0.9959939686936016
Energy: 0.9227237750386593
Energy: 1.0247490453803334
Energy: 0.7060297666074998
Energy: 1.0247490453779917
Energy: 0.7060297623902098
Energy: 1.0247490453803334
Energy: 0.7060297680080974

minimum gb energy = 0.7013625656766952 eV
minimum distance =  2.27222298136413 Angstroms
sigma value = 43


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

Energy: 1.3676094798840368
Energy: 0.798573160026963
Energy: 1.367609479884612
Energy: 0.7985731600217856
Energy: 1.367609479884612
Energy: 0.7985731600223609
Energy: 1.0717731055370567
Energy: 0.7809382350996121
Energy: 1.0717731055347557
Energy: 0.7809382351024883
Energy: 1.0717731055370567
Energy: 0.7809382351030636
Energy: 0.8748778825729585
Energy: 1.2996060942829215
Energy: 0.8748778825597276
Energy: 1.2996060942846472
Energy: 0.8748778825361421
Energy: 1.2996060942846472
Energy: 0.8772336489796114
Energy: 0.7697664605597455
Energy: 0.8772336489830629
Energy: 0.769766460560896
Energy: 0.8772336489876648
Energy: 0.7697664605568693
Energy: 0.9803723292539849
Energy: 0.6101535838975966
Energy: 0.9803723292539849
Energy: 0.6336433165762925
Energy: 0.9803723292534097
Energy: 0.610462198288226
Energy: 0.798549445539103
Energy: 1.1400879244367879
Energy: 0.7985494455483071
Energy: 1.1400879244373632
Energy: 0.7985494455448556
Energy: 1.140087924439089
Energy: 0.9304632366013096
Energy: 1.1749927043162587
Energy: 0.930463236604186
Energy: 1.174992704317409
Energy: 0.9304632366036107
Energy: 1.1749927043185597
Energy: 0.9589251856290536
Energy: 0.874081458142097
Energy: 0.9589251856284784
Energy: 0.8740814581426722
Energy: 0.9589251856302042
Energy: 0.8740814581449733
Energy: 0.9576644691279368
Energy: 0.7160407910160452
Energy: 0.9636237409631585
Energy: 0.7160407910177711
Energy: 0.9602235242092096
Energy: 0.7160407910217718
Energy: 0.7284370412827844
Energy: 1.2549690654944416
Energy: 0.7284370412839349
Energy: 1.2549690654904149
Energy: 0.7284370412850855
Energy: 1.2549690654921406
Energy: 1.2112416541938102
Energy: 0.8321513036987747
Energy: 1.2112416541966864
Energy: 0.8321513037045271
Energy: 1.2112416541932347
Energy: 0.8321513037033766
Energy: 0.9823055613057344
Energy: 0.8844967368402903
Energy: 0.9823055613086107
Energy: 0.8844967368374401
Energy: 0.9823055613045838
Energy: 0.8844967368374401
Energy: 0.7746446771509954
Energy: 1.042593730037582
Energy: 0.8004831403069465
Energy: 1.0425937300381574
Energy: 0.800113535819292
Energy: 1.0425937300381574
Energy: 0.7400918253019461
Energy: 1.2047387657652437
Energy: 0.7400918253053977
Energy: 1.2047387657209494
Energy: 0.7400918253030966
Energy: 1.204738765680132
Energy: 1.1053641578607685
Energy: 0.8407244041720331
Energy: 1.1053641578809026
Energy: 0.84072440419907
Energy: 1.1053641578699727
Energy: 0.8407244041800865
Energy: 0.888152629326314
Energy: 0.6472771490519524
Energy: 0.8881526293251635
Energy: 0.6458230243135352
Energy: 0.888152629328615
Energy: 0.6508035763074875
Energy: 0.9578489976893481
Energy: 0.8185791541659642
Energy: 0.9578489976916491
Energy: 0.8185791541642383
Energy: 0.9578489976887729
Energy: 0.8185791541573353
Energy: 1.205004199296534
Energy: 0.946637365486705
Energy: 1.2050041992936578
Energy: 0.9466373654953338
Energy: 1.2050041992948082
Energy: 0.9466373655183178
Energy: 1.1731601648779104
Energy: 0.8126886966608504
Energy: 1.1731601648813619
Energy: 0.8126886966223342
Energy: 1.1731601648945926
Energy: 0.812688696560808
Energy: 1.1474930587800496
Energy: 0.9453649837293309
Energy: 1.147493058780625
Energy: 0.9453649837293309
Energy: 1.1474930587794743
Energy: 0.9453649837293309
Energy: 0.8758476837266626
Energy: 0.7413396500280128
Energy: 0.8758476837278132
Energy: 0.7413396500423943
Energy: 0.8758476837220607
Energy: 0.741339650039518
Energy: 1.189679815359845
Energy: 0.8695580524350854
Energy: 1.1896798153575439
Energy: 0.86955805244544
Energy: 1.1896798153575439
Energy: 0.8695580524402626
Energy: 0.6835308664783771
Energy: 1.098825862024181
Energy: 0.6835308664772266
Energy: 1.098825862024181
Energy: 0.6835308664778018
Energy: 1.0988258620236058
Energy: 0.7746992663698351
Energy: 1.0865247080723113
Energy: 0.7872885505244803
Energy: 1.0865247080717362
Energy: 0.7872762579425752
Energy: 1.0865247080717362
Energy: 0.9870987154613499
Energy: 0.7618160820047907
Energy: 0.9870987154619251
Energy: 0.7618160818512495
Energy: 0.9870987154607744
Energy: 0.7618160817736421
Energy: 1.3098185217900589
Energy: 0.8985773580113491
Energy: 1.3098185217900589
Energy: 0.8985773356242472
Energy: 1.309818521790634
Energy: 0.89857736165858
Energy: 0.7048182758347825
Energy: 0.9158593178201039
Energy: 0.704818275833632
Energy: 0.9158593178201039
Energy: 0.7048182758480133
Energy: 0.915859317818378
Energy: 0.6865831465636685
Energy: 0.7832493865655854
Energy: 0.7126532023099241
Energy: 0.7832493865638596
Energy: 0.7316716326738675
Energy: 0.7832493865609833
Energy: 0.8613605137089132
Energy: 0.8975731941937569
Energy: 0.8613605137066122
Energy: 0.8975731941931817
Energy: 0.8613605137089132
Energy: 0.8975731941954828
Energy: 1.2529989530018741
Energy: 1.1664027451949617
Energy: 1.2529989530007237
Energy: 1.1664027451949617
Energy: 1.2529989530001486
Energy: 1.1664027451949617
Energy: 0.7785136587154777
Energy: 1.0503480301309833
Energy: 0.7785136586723598
Energy: 1.0503480301292576
Energy: 0.7785136574246022
Energy: 1.0503480301281072

minimum gb energy = 0.6101535838975966 eV
minimum distance =  2.33943676360567 Angstroms
sigma value = 57


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

Energy: 1.177395375637975
Energy: 0.8744796415619859
Energy: 1.0857525598520574
Energy: 0.8744796415619859
Energy: 1.177395375637975
Energy: 0.8744796415619859
Energy: 1.0265795184162225
Energy: 0.9522532830563828
Energy: 1.0265795184169673
Energy: 0.9522532830556378
Energy: 1.0265795184162225
Energy: 0.9522532830556378
Energy: 0.8802567870440481
Energy: 1.0311872258723662
Energy: 1.014630073838628
Energy: 1.0311872258708765
Energy: 0.8804490378676744
Energy: 1.0311872258708765
Energy: 1.246431598976881
Energy: 0.9190786050161
Energy: 1.2464315989783705
Energy: 0.9190786050161
Energy: 1.246431598977626
Energy: 0.9190786050138653
Energy: 0.6907542501695418
Energy: 0.9146799604766264
Energy: 0.6907542451508499
Energy: 0.914679960472936
Energy: 0.6907542536545866
Energy: 0.9146799604751705
Energy: 1.1570608055096803
Energy: 0.9421992134037905
Energy: 1.15706080551117
Energy: 0.9421992134082595
Energy: 1.15706080551117
Energy: 0.9421992134008111
Energy: 0.8417820686523991
Energy: 1.2264665456043702
Energy: 0.8408411682538853
Energy: 1.2264665456058597
Energy: 0.841874580873153
Energy: 1.2264665456066046
Energy: 0.9326715414462762
Energy: 0.9880530353271108
Energy: 0.9326715414455314
Energy: 0.9880530353293452
Energy: 0.9326715414447866
Energy: 0.9880530353271108
Energy: 0.6731994060915991
Energy: 0.9609666950109128
Energy: 0.673199406005977
Energy: 0.9609666950101681
Energy: 0.6731994060685094
Energy: 0.9609666950109128
Energy: 0.604842356903642
Energy: 0.8300179306926362
Energy: 0.7028417922356437
Energy: 0.8300179223005909
Energy: 0.6048423569862846
Energy: 0.8300179307775135
Energy: 0.8976988209583163
Energy: 0.9395863256417316
Energy: 0.8976988209583163
Energy: 0.9395863256424763
Energy: 0.8976988209568265
Energy: 0.9395863256439322
Energy: 0.7133630132579686
Energy: 0.8367137483192372
Energy: 0.7133630134202747
Energy: 0.8418896120718021
Energy: 0.7133630132296989
Energy: 0.8418617132966711
Energy: 0.5308898297137786
Energy: 0.9612358990000535
Energy: 0.5307981795274095
Energy: 0.9612358990000535
Energy: 0.5302247011345085
Energy: 0.9612358990000535
Energy: 0.9819465432722709
Energy: 0.818905015306829
Energy: 0.9063892450279302
Energy: 0.818905015306829
Energy: 0.9819465432700364
Energy: 0.8189050153060841
Energy: 0.9309758935167721
Energy: 0.951443497524038
Energy: 0.8303168152366738
Energy: 0.9514434975262727
Energy: 0.9309758935182617
Energy: 0.9514434975255277
Energy: 0.6728030032109116
Energy: 1.084896829524279
Energy: 0.672803003208677
Energy: 1.084896829524279
Energy: 0.6728030032109116
Energy: 1.0848968295235342
Energy: 0.5980811749789899
Energy: 1.0337080702312942
Energy: 0.59775792188637
Energy: 1.033708070232039
Energy: 0.5980811749752658
Energy: 1.0337080702312942
Energy: 0.8996869021724506
Energy: 1.2731889571340929
Energy: 0.8996869021731954
Energy: 1.2731889571333481
Energy: 0.8996869021731954
Energy: 1.2731889571333481
Energy: 0.5982646282905384
Energy: 0.7770890614422991
Energy: 0.5982646283046903
Energy: 0.7770890612681094
Energy: 0.5982646283002213
Energy: 0.7770890618852722
Energy: 0.5388985214168581
Energy: 1.0836259974298297
Energy: 0.5388985213573052
Energy: 1.0836259974305746
Energy: 0.5388985214406928
Energy: 1.0836259974298297
Energy: 0.9323476846747182
Energy: 0.8223822956713213
Energy: 0.9323476846754631
Energy: 0.8223822956743007
Energy: 0.9323476846724837
Energy: 0.8223822956713213
Energy: 0.9732213195944348
Energy: 0.8517759832516473
Energy: 0.9732213195869865
Energy: 0.8517759832516473
Energy: 0.9732213195892209
Energy: 0.8517759832516473
Energy: 0.8040775986182226
Energy: 0.8173342292868125
Energy: 0.6986709309158844
Energy: 0.8173342292875573
Energy: 0.7888593238314968
Energy: 0.8173342292897919
Energy: 0.67370997980669
Energy: 1.1082737739374835
Energy: 0.6855167451382905
Energy: 1.1082737740044848
Energy: 0.6737099798751808
Energy: 1.108273774112418

minimum gb energy = 0.5302247011345085 eV
minimum distance =  2.20703108387906 Angstroms
sigma value = 17


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

Energy: 1.0965870473399657
Energy: 0.9222811241925702
Energy: 0.8577395953096207
Energy: 0.9222811241925702
Energy: 1.0965870473399657
Energy: 0.9222811241925702
Energy: 0.9296653570871976
Energy: 0.9825914845301076
Energy: 0.831512473838839
Energy: 0.9825914844311401
Energy: 0.9296653570893043
Energy: 0.9825914845385343
Energy: 0.6818154176215112
Energy: 1.1802888713362076
Energy: 0.80067943189574
Energy: 1.1802888713362076
Energy: 0.6829303427004526
Energy: 1.1802888713372608
Energy: 0.7528677048584461
Energy: 0.978207678305242
Energy: 0.7535379377943076
Energy: 0.9782076783031354
Energy: 0.7528677048468592
Energy: 0.9782076783062955
Energy: 0.773287520620834
Energy: 1.000725689992142
Energy: 0.8127032187661873
Energy: 1.0007256900153156
Energy: 0.7731715755844463
Energy: 1.000725690022689
Energy: 0.8836459289103015
Energy: 0.85150849835763
Energy: 0.8836459289081947
Energy: 0.85150849835763
Energy: 0.8836459289092482
Energy: 0.8515084983565768
Energy: 0.7216340723161718
Energy: 0.8538590978206785
Energy: 0.7216340723151186
Energy: 0.8538590978185718
Energy: 0.7216340723140652
Energy: 0.8538590978196252
Energy: 0.8714382283619044
Energy: 0.9893350615566524
Energy: 0.8714382283619044
Energy: 0.9893350617493205
Energy: 0.8714382283619044
Energy: 0.9893350616724734
Energy: 1.0346480556708222
Energy: 1.021922989248741
Energy: 1.0346480556687152
Energy: 1.021922989248741
Energy: 1.0346480556687152
Energy: 1.0219229892476875
Energy: 1.1584010278680776
Energy: 0.8990327543410958
Energy: 1.1584010278680776
Energy: 0.8990327543368822
Energy: 1.1584010278680776
Energy: 0.8990327543274022
Energy: 1.0157856106721808
Energy: 0.6643993289613552
Energy: 0.9379548589717245
Energy: 0.6643991933190366
Energy: 1.0157856111396786
Energy: 0.6643992312555969
Energy: 0.9852755390588981
Energy: 0.9489383291772455
Energy: 0.8952141342172354
Energy: 0.9489383291772455
Energy: 0.9852755389588773
Energy: 0.9489383291772455
Energy: 0.9146387101119806
Energy: 0.7179276689470692
Energy: 0.8748475323696917
Energy: 0.717930321783741
Energy: 0.9146387101035539
Energy: 0.7179331031252497
Energy: 0.9746390085715736
Energy: 0.7083697212629485
Energy: 0.974639008572627
Energy: 0.7083697397463504
Energy: 0.9746390085715736
Energy: 0.7083698098243935
Energy: 0.8411778107204692
Energy: 0.9473063019067675
Energy: 0.8411778107120425
Energy: 0.9473063019067675
Energy: 0.8411778107299493
Energy: 0.9473063019067675
Energy: 0.9456270756739693
Energy: 0.8523248590686564
Energy: 0.9456270756750227
Energy: 0.8523244874849503
Energy: 0.945627075672916
Energy: 0.8523241888409638
Energy: 0.8892759039858489
Energy: 0.9607092409646995
Energy: 0.8892759039847955
Energy: 0.960709240954166
Energy: 0.8892759039858489
Energy: 0.9607092409646995

minimum gb energy = 0.6643991933190366 eV
minimum distance =  2.262830784452 Angstroms
sigma value = 17


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

Energy: 0.9340976351801575
Energy: 0.6891874384243097
Energy: 0.9340976351797509
Energy: 0.6891874384116998
Energy: 0.9340976351781237
Energy: 0.689187438455187
Energy: 0.7361672795329277
Energy: 0.945170111348728
Energy: 0.73616727867217
Energy: 0.9451701113479144
Energy: 0.7361672776939304
Energy: 0.9451701113479144
Energy: 0.8636663538272645
Energy: 0.7992952734794497
Energy: 0.8636663538248238
Energy: 0.7992952734786364
Energy: 0.8636663538240105
Energy: 0.7992952734766025
Energy: 0.6517714366494609
Energy: 0.9133032292306391
Energy: 0.6517714366392918
Energy: 0.9133032292310458
Energy: 0.6517714366218007
Energy: 0.9133032292306391
Energy: 0.7415828157391291
Energy: 0.5208098312179495
Energy: 0.7415828278745288
Energy: 0.5643712075017138
Energy: 0.7415828661181346
Energy: 0.5652332775008785
Energy: 1.0156859228760036
Energy: 0.8174776214872723
Energy: 1.0156859228760036
Energy: 0.8174776214872723
Energy: 1.0156859228760036
Energy: 0.8174776214868654
Energy: 0.7870106298714765
Energy: 1.027821503839397
Energy: 0.7870106298702562
Energy: 1.0278215038381766
Energy: 0.7870106298556125
Energy: 1.0278215038402105
Energy: 0.8270087831180347
Energy: 0.9870093993016404
Energy: 0.8270087831123399
Energy: 0.9870093993032676
Energy: 0.8270087831119332
Energy: 0.9870093993028609
Energy: 0.9333815457824615
Energy: 0.8217017319179222
Energy: 0.9333815457844953
Energy: 0.8217017319126342
Energy: 0.9333815457800207
Energy: 0.8217017318967702
Energy: 0.7614708662016125
Energy: 0.6907551750437952
Energy: 0.7614708662040531
Energy: 0.6907551750421681
Energy: 0.7614708662016125
Energy: 0.6907551750429817
Energy: 0.8330688202071905
Energy: 0.9177379412213696
Energy: 0.8330688202039365
Energy: 0.9177379412213696
Energy: 0.8330688202031229
Energy: 0.9177379412238102
Energy: 0.8756757986125813
Energy: 0.9869696414250673
Energy: 0.8756757986003784
Energy: 0.986969641427508
Energy: 0.8756757986011918
Energy: 0.9869696414291349
Energy: 1.0342410901766397
Energy: 1.0173830801221893
Energy: 1.0342410901766397
Energy: 1.0173830801234094
Energy: 1.0342410901758263
Energy: 1.0173830801238164
Energy: 1.1619441758196953
Energy: 0.8173892137930439
Energy: 1.1619441758180684
Energy: 0.8173892137914168
Energy: 1.1619441758184752
Energy: 0.8173892137901966
Energy: 0.8980647586238873
Energy: 0.7099153707829939
Energy: 0.8980647582494022
Energy: 0.7099153707756722
Energy: 0.8980647576765253
Energy: 0.7099153707980445
Energy: 0.8561760484045613
Energy: 0.962988659859962
Energy: 0.8561760484025275
Energy: 0.962988659859962
Energy: 0.8561760484033408
Energy: 0.9629886598636229
Energy: 1.005421190564125
Energy: 0.9685918695770809
Energy: 1.005421190560871
Energy: 0.9685918695783011
Energy: 1.0054211905633115
Energy: 0.9685918695783011
Energy: 1.0873914696527844
Energy: 0.7877199196521211
Energy: 1.087391469651564
Energy: 0.7877199196517142
Energy: 1.0873914696527844
Energy: 0.7877199196525277
Energy: 1.0543796744529539
Energy: 0.8915696421574698
Energy: 1.0543796744537675
Energy: 0.8915696421647917
Energy: 1.0543796744525469
Energy: 0.8915696421708932
Energy: 0.8834780928342559
Energy: 0.44490121487235057
Energy: 0.8834780928334424
Energy: 0.4449012148682829
Energy: 0.8834780928338491
Energy: 0.4449012148837401
Energy: 1.0525778336399334
Energy: 0.8995254424153021
Energy: 1.0525778336423741
Energy: 0.8995254423234095
Energy: 1.052577833640747
Energy: 0.899525442382391
Energy: 1.0866529249831887
Energy: 0.7890108099421109
Energy: 1.086652924982375
Energy: 0.7890108099412976
Energy: 1.0866529249844088
Energy: 0.789010809940484
Energy: 1.1300108295633904
Energy: 0.9684739667829463
Energy: 1.130010829563797
Energy: 0.9684739667833532
Energy: 1.1300108295633904
Energy: 0.9684739667829463
Energy: 0.8558974840750347
Energy: 0.9680051806592455
Energy: 0.8558974840766618
Energy: 0.9680051806608724
Energy: 0.8558974840746281
Energy: 0.9680051806604657
Energy: 0.8969031174566434
Energy: 0.7107672067187868
Energy: 0.8969031174570503
Energy: 0.7107672066862454
Energy: 0.8969031174509486
Energy: 0.7107672066947874
Energy: 1.1617989922687828
Energy: 0.8168555085021206
Energy: 1.1617989922691894
Energy: 0.816855508503341
Energy: 1.1617989922691894
Energy: 0.8168555085025274
Energy: 1.0343287794170961
Energy: 1.017209818453024
Energy: 1.0343287794170961
Energy: 1.017209818453431
Energy: 1.0343287794170961
Energy: 1.017209818453024
Energy: 0.8441852145893991
Energy: 0.9866250986738347
Energy: 0.8441852145910262
Energy: 0.9866250986722077
Energy: 0.8441852145955007
Energy: 0.9866250986693603
Energy: 0.8454289782335977
Energy: 0.9168888647600124
Energy: 0.8454289782327842
Energy: 0.9168888647579785
Energy: 0.8454289782323775
Energy: 0.9168888647567581
Energy: 0.7622300178995411
Energy: 0.683744690632416
Energy: 0.7622300178942532
Energy: 0.6837446906405514
Energy: 0.7622300178995411
Energy: 0.6837446906608898
Energy: 0.9434644810796351
Energy: 0.8216821077958284
Energy: 0.9434644810755674
Energy: 0.8216821077942013
Energy: 0.9434644810784147
Energy: 0.8216821077942013
Energy: 0.8082131389001497
Energy: 0.8570993683284922
Energy: 0.8082131389241489
Energy: 0.8570993683256449
Energy: 0.8082131389095053
Energy: 0.8570993683110383
Energy: 0.7912118873840851
Energy: 1.0276225021873806
Energy: 0.7912118873836784
Energy: 1.027622502188194
Energy: 0.7912118873836784
Energy: 1.027622502188194
Energy: 1.0161055578113765
Energy: 0.7433985442841327
Energy: 1.0161055578109697
Energy: 0.7433985442829123
Energy: 1.0161055578113765
Energy: 0.7433985442820988
Energy: 0.7419362247997102
Energy: 0.8454372814456668
Energy: 0.741936226133317
Energy: 0.8454372817485608
Energy: 0.7419362300426513
Energy: 0.8454372839095703
Energy: 0.6546128419300833
Energy: 1.0625192698269745
Energy: 0.6546128419496081
Energy: 1.0625192698245338
Energy: 0.6546128419296766
Energy: 1.0625192698249406
Energy: 0.8634332812324405
Energy: 0.799513623227588
Energy: 0.8634332812304066
Energy: 0.799513623224334
Energy: 0.8634332812352878
Energy: 0.7995136232227069
Energy: 0.7367797941920629
Energy: 0.9451938161840884
Energy: 0.7367797918143201
Energy: 0.9451938161796138
Energy: 0.7367797941912493
Energy: 0.9451938161840884
Energy: 0.9340976351764968
Energy: 0.689187438471051
Energy: 0.9340976351748697
Energy: 0.6891874384474586
Energy: 0.9340976351805274
Energy: 0.6891874384584412
Energy: 0.7361672576886095
Energy: 0.9735726418912056
Energy: 0.7361672554763842
Energy: 0.9735726418932394
Energy: 0.7361672572885347
Energy: 0.9735726418960499
Energy: 0.863666353826451
Energy: 0.7992952734579282
Energy: 0.8636663538256374
Energy: 0.7992952734579282
Energy: 0.8636663538203496
Energy: 0.7992952734538605
Energy: 0.6517714366884736
Energy: 0.9133032292326729
Energy: 0.6517714366864398
Energy: 0.9133032292330796
Energy: 0.6517714366726097
Energy: 0.9133032292330796
Energy: 0.7415828156297457
Energy: 0.5651283251950947
Energy: 0.7415828311296696
Energy: 0.5651548280969485
Energy: 0.7415828568300356
Energy: 0.5648952467246577

minimum gb energy = 0.4449012148682829 eV
minimum distance =  2.333433050044 Angstroms
sigma value = 57


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

Energy: 0.7406383143704545
Energy: 0.9194213087489667
Energy: 0.6481272929553575
Energy: 0.9194213087496289
Energy: 0.740638314375753
Energy: 0.9194213087483044
Energy: 0.8225133225586028
Energy: 0.83682207083209
Energy: 0.7766956920216262
Energy: 0.8368220708314277
Energy: 0.8225133225579404
Energy: 0.83682207083209
Energy: 1.0246681119922
Energy: 0.944760578855281
Energy: 0.993005295458424
Energy: 0.9447605788546187
Energy: 1.0246681119908754
Energy: 0.9447605788559432
Energy: 0.8204107145632954
Energy: 0.7933855536493997
Energy: 0.8208713759396721
Energy: 0.7933855536493997
Energy: 0.8204107145599839
Energy: 0.7933855536487374
Energy: 0.8274913111427957
Energy: 0.7184179455424969
Energy: 0.8274913111467698
Energy: 0.7184179455458086
Energy: 0.8274913111500813
Energy: 0.7184179455431593
Energy: 0.897644532122476
Energy: 0.977005883878201
Energy: 0.9456749050283387
Energy: 0.9770058838768764
Energy: 0.897644532120489
Energy: 0.977005883878201
Energy: 0.8824071149499767
Energy: 1.0417836867733887
Energy: 0.8778533148552555
Energy: 1.0417836867720642
Energy: 0.8824071149493145
Energy: 1.0417836867727266
Energy: 0.8291722386503586
Energy: 0.8552008213849351
Energy: 0.8291722386549947
Energy: 0.8552008213862596
Energy: 0.8291722386503586
Energy: 0.8552008213875845
Energy: 0.7764867908280619
Energy: 0.7107211345308883
Energy: 0.7764867908293865
Energy: 0.7107211345388359
Energy: 0.7764867908287243
Energy: 0.7107211345335374
Energy: 0.79927388091642
Energy: 0.9541280161126058
Energy: 0.7992738809104593
Energy: 0.954128016113268
Energy: 0.7992738809150954
Energy: 0.954128016113268
Energy: 0.883061486021902
Energy: 0.9339140828824597
Energy: 0.8830614860185905
Energy: 0.9339140828817971
Energy: 0.8830614860199152
Energy: 0.9339140828804726
Energy: 0.9015738357196277
Energy: 0.8638534705770516
Energy: 0.901573835718303
Energy: 0.8638534705777139
Energy: 0.9015738357196277
Energy: 0.8638534705777139
Energy: 0.7779649152886341
Energy: 0.9679918193224922
Energy: 0.7779649152886341
Energy: 0.9679918193251416
Energy: 0.7779649152892963
Energy: 0.967991819323817
Energy: 0.9542577668479216
Energy: 0.8246901073599113
Energy: 0.9542577668505708
Energy: 0.8246901073592489
Energy: 0.9542577668439476
Energy: 0.8246901073605736
Energy: 0.9133786241166618
Energy: 0.8643824981131938
Energy: 0.9133786241126879
Energy: 0.8643824981165054
Energy: 0.9133786241159995
Energy: 0.8643824981151809
Energy: 0.8468957463663405
Energy: 0.9243754928485588
Energy: 0.846895746367003
Energy: 0.924375492842598
Energy: 0.846895746371639
Energy: 0.9243754928419358
Energy: 1.1039488529217334
Energy: 0.8239093628842427
Energy: 1.0157810328422363
Energy: 0.823909362882918
Energy: 1.1039488529223958
Energy: 0.8239093628875542
Energy: 0.8871805744636209
Energy: 0.8622707365571706
Energy: 0.8556816475102713
Energy: 0.8622707367703758
Energy: 0.8871805744649455
Energy: 0.862270737069622
Energy: 0.8663957863166089
Energy: 0.8474468808735481
Energy: 0.8780789980528633
Energy: 0.8474468808742106
Energy: 0.8663957863146218
Energy: 0.8474468808761975
Energy: 0.9929906349999088
Energy: 0.9980125017602722
Energy: 0.9930040663100373
Energy: 0.9980125017602722
Energy: 0.9929906350018958
Energy: 0.9980125017582855
Energy: 1.0359766612363595
Energy: 0.873380052457728
Energy: 1.0359766612370218
Energy: 0.873380052457728
Energy: 1.0359766612356973
Energy: 0.8733800524590526
Energy: 0.8894276746118887
Energy: 0.774556464319113
Energy: 0.8896756558464729
Energy: 0.774556464315139
Energy: 0.8894276746125511
Energy: 0.7745564643138144
Energy: 1.005443673675749
Energy: 0.9791367202957935
Energy: 1.0054436736764114
Energy: 0.9791367202964557
Energy: 1.0054436736764114
Energy: 0.9791367202964557
Energy: 0.9803798538642144
Energy: 0.7798741768049121
Energy: 0.9803798538628896
Energy: 0.7798741762289386
Energy: 0.9803798538635519
Energy: 0.7798741764004181
Energy: 0.9138762818202186
Energy: 0.8191291013866534
Energy: 0.9138762818182317
Energy: 0.8191291013873159
Energy: 0.9138762818195563
Energy: 0.8191291013833419
Energy: 0.6721963481458472
Energy: 0.9201572216681636
Energy: 0.6721963481458472
Energy: 0.9201572216675014
Energy: 0.6721963481491587
Energy: 0.9201572216694881
Energy: 0.8581611726485197
Energy: 0.8504403865579616
Energy: 0.858161172651169
Energy: 0.8504403865652471
Energy: 0.8581611726524936
Energy: 0.8504403865632602

minimum gb energy = 0.6481272929553575 eV
minimum distance =  2.35139113133509 Angstroms
sigma value = 43


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

Energy: 0.875465296207125
Energy: 0.750311466558419
Energy: 0.8410221730802222
Energy: 0.7503114665593842
Energy: 0.8754652962027818
Energy: 0.7503114665564887
Energy: 0.7098318890253538
Energy: 0.8990499000737697
Energy: 0.665928479032566
Energy: 0.8990499000742523
Energy: 0.7098318890243887
Energy: 0.8990499000732871
Energy: 0.7480392970654214
Energy: 0.8983847269948916
Energy: 0.7637301555032039
Energy: 0.8983847269948916
Energy: 0.7480392970697645
Energy: 0.8983847269953303
Energy: 0.780624010099202
Energy: 0.7617094712324742
Energy: 0.7807336804652593
Energy: 0.761709471233922
Energy: 0.7806240098416435
Energy: 0.7617094712329568
Energy: 0.7144525762025101
Energy: 0.7926664917739428
Energy: 0.7144525762034752
Energy: 0.7926664917734602
Energy: 0.7144525762054054
Energy: 0.7926664917734602
Energy: 0.9338924138974258
Energy: 0.8046451636568972
Energy: 0.9342093046145358
Energy: 0.8046451636588274
Energy: 0.9338924138969434
Energy: 0.8046451636564146
Energy: 0.7475606875742529
Energy: 0.837306853510395
Energy: 0.7476185978888936
Energy: 0.837306853510395
Energy: 0.7475606875737704
Energy: 0.8373068535099124
Energy: 0.8996952934463429
Energy: 0.7126645202386769
Energy: 0.8996952934453778
Energy: 0.7126645202381943
Energy: 0.8996952934468255
Energy: 0.7126645202381943
Energy: 0.7740374764344309
Energy: 0.7961558482355088
Energy: 0.7740994982981899
Energy: 0.7961558482355088
Energy: 0.7740374764329832
Energy: 0.7961558482355088
Energy: 0.68637666758584
Energy: 0.8147778029087643
Energy: 0.6863766675877702
Energy: 0.8147778029087643
Energy: 0.68637666758584
Energy: 0.8147778029082821
Energy: 0.8602682423068727
Energy: 0.7318111862091313
Energy: 0.8602682423083203
Energy: 0.7318111862100964
Energy: 0.8602682423088029
Energy: 0.7318111862096138
Energy: 0.6474920641952192
Energy: 0.7977236345590718
Energy: 0.6474920641947366
Energy: 0.7977236345595544
Energy: 0.6474920641961842
Energy: 0.7977236345590718
Energy: 0.6880191386235636
Energy: 0.7442593758693703
Energy: 0.6880191386240461
Energy: 0.7442593758693703
Energy: 0.6880191386240461
Energy: 0.7442593758698527
Energy: 0.71489383086631
Energy: 0.7234695737404007
Energy: 0.7148938308687227
Energy: 0.7234695737404007
Energy: 0.7148938308692053
Energy: 0.7234695737418484
Energy: 0.6686801535910457
Energy: 0.7812537031628131
Energy: 0.6686801535915283
Energy: 0.7812537031632957
Energy: 0.6686801535905631
Energy: 0.7812537031618478
Energy: 0.7554064579265615
Energy: 0.8732528497873027
Energy: 0.7554064579275265
Energy: 0.8732528497873027
Energy: 0.7554064579275265
Energy: 0.8732528497863377
Energy: 0.784690679085641
Energy: 0.7391369931078234
Energy: 0.7846906790832281
Energy: 0.7391369931092711
Energy: 0.7846906790841933
Energy: 0.7391369931097537
Energy: 0.7614432901871782
Energy: 0.7891814463442115
Energy: 0.7614432901871782
Energy: 0.7891814463461417
Energy: 0.7614432901866957
Energy: 0.7891814463442115
Energy: 0.7268948050015748
Energy: 0.7934342151827789
Energy: 0.7268948050030225
Energy: 0.7934342151818138
Energy: 0.7268948050044702
Energy: 0.7934342151827789
Energy: 0.8363755503353357
Energy: 0.8522912660261516
Energy: 0.8363755503348532
Energy: 0.8522912660271166
Energy: 0.836375550333888
Energy: 0.8522912660237387
Energy: 0.8108558284527538
Energy: 0.8642402805818783
Energy: 0.8108558284522713
Energy: 0.864240280304052
Energy: 0.8108558284513061
Energy: 0.8642402807159876
Energy: 0.7854417141564761
Energy: 0.7980827845106718
Energy: 0.8167424786445268
Energy: 0.7980827845068114
Energy: 0.785441713577178
Energy: 0.7980827845087416
Energy: 0.8566989742526303
Energy: 0.7448591481915879
Energy: 0.8293908723425737
Energy: 0.7448591481920704
Energy: 0.8566989742521478
Energy: 0.7448591481915879
Energy: 0.7496412200549549
Energy: 0.7393940647339864
Energy: 0.7094353261366089
Energy: 0.7393940687519603
Energy: 0.7496412200539897
Energy: 0.739394058280591
Energy: 0.8019505998653778
Energy: 0.6919947906017717
Energy: 0.8020279887061683
Energy: 0.691994790377949
Energy: 0.8019505998658601
Energy: 0.6919947906234432
Energy: 0.7916987915538598
Energy: 0.6188715065560437
Energy: 0.7907605846253296
Energy: 0.618871538952217
Energy: 0.791698791554825
Energy: 0.6188715699481161
Energy: 0.7949889948372858
Energy: 0.7494953791651435
Energy: 0.796135587924265
Energy: 0.7494953804433723
Energy: 0.794988994838251
Energy: 0.7494953804568842
Energy: 0.7615304592725223
Energy: 0.6926206951566469
Energy: 0.7615114575353569
Energy: 0.6926206951556818
Energy: 0.7615304592720397
Energy: 0.6926206951561644
Energy: 0.7890004592075224
Energy: 0.8633744663221414
Energy: 0.7890004592075224
Energy: 0.8633744663226238
Energy: 0.7890004592089699
Energy: 0.8633744663221414
Energy: 0.8013999902597
Energy: 0.6726219341979197
Energy: 0.8013999902592174
Energy: 0.6726219343426016
Energy: 0.8013999902597
Energy: 0.6726219347429558
Energy: 0.6494732695550864
Energy: 0.889022750437555
Energy: 0.6516974330587205
Energy: 0.8890227504385201
Energy: 0.6494732695546038
Energy: 0.8890227504351421
Energy: 0.7877548868595877
Energy: 0.7764231154631953
Energy: 0.7877548868595877
Energy: 0.7764231154631953
Energy: 0.7877548868595877
Energy: 0.7764231154631953
Energy: 0.7588382113243187
Energy: 0.7073215357890364
Energy: 0.7588382113248013
Energy: 0.7073215357919318
Energy: 0.7588382113252838
Energy: 0.7073215357880713
Energy: 0.7479447237105228
Energy: 0.8147166250154502
Energy: 0.7479447237114879
Energy: 0.8147166250159328
Energy: 0.7479447237119704
Energy: 0.8147166250135198
Energy: 0.7885454195594397
Energy: 0.6195921183517505
Energy: 0.7885454195594397
Energy: 0.6195921183527158
Energy: 0.7885454195604048
Energy: 0.6195921183531984
Energy: 0.6788109161525779
Energy: 0.6544874896601827
Energy: 0.6788109161530606
Energy: 0.6544874896597
Energy: 0.6788109161520954
Energy: 0.6544874896597

minimum gb energy = 0.6188715065560437 eV
minimum distance =  2.35151934458005 Angstroms
sigma value = 81


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

Energy: 0.010872915273176511
Energy: 0.04892973353054617
Energy: 0.010872915273176511
Energy: 0.04892973353054617
Energy: 0.010872915273176511
Energy: 0.04892973353231923
Energy: 0.9885118443536458
Energy: 0.010948845829980396
Energy: 0.9885118443518728
Energy: 0.010948845831753456
Energy: 0.9885118443500996
Energy: 0.010948845831753456
Energy: 0.9885121901541293
Energy: 0.010971723209987346
Energy: 0.9885121901505832
Energy: 0.010971723209987346
Energy: 0.9885121901541293
Energy: 0.010971723209987346
Energy: 0.010872915273176511
Energy: 0.04892973353054617
Energy: 0.010872915273176511
Energy: 0.04892973353054617
Energy: 0.010872915273176511
Energy: 0.04892973353054617
Energy: 0.9885118443536458
Energy: 0.010948845831753456
Energy: 0.9885118443518728
Energy: 0.010948845831753456
Energy: 0.9885118443536458
Energy: 0.010948845833526516
Energy: 0.9885121901505832
Energy: 0.010971723209987346
Energy: 0.9885121901523561
Energy: 0.010971723209987346
Energy: 0.9885121901505832
Energy: 0.010971723209987346
Energy: 0.010872915273176511
Energy: 0.04892973353054617
Energy: 0.010872915273176511
Energy: 0.04892973353054617
Energy: 0.010872915273176511
Energy: 0.04892973353231923
Energy: 0.9885118443500996
Energy: 0.010948845833526516
Energy: 0.9885118443536458
Energy: 0.010948845831753456
Energy: 0.9885118443536458
Energy: 0.010948845831753456
Energy: 0.9885121901505832
Energy: 0.010971723209987346
Energy: 0.9885121901541293
Energy: 0.010971723209987346
Energy: 0.9885121901523561
Energy: 0.010971723209987346
Energy: 0.010872915273176511
Energy: 0.04892973353231923
Energy: 0.010872915273176511
Energy: 0.04892973353231923
Energy: 0.010872915273176511
Energy: 0.04892973353054617

minimum gb energy = 0.010872915273176511 eV
minimum distance =  2.53020208580109 Angstroms
sigma value = 3


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

Energy: 0.5308373924008093
Energy: 0.7573271114537427
Energy: 0.5308373924018704
Energy: 0.7573271114548038
Energy: 0.5308373924018704
Energy: 0.7573271114548038
Energy: 0.41168675871053584
Energy: 0.5559860786344345
Energy: 0.41168675871584176
Energy: 0.5559860786339038
Energy: 0.4116867587137194
Energy: 0.5559860786354957
Energy: 0.5234793541278087
Energy: 0.5974582274596373
Energy: 0.5234793541267475
Energy: 0.5974582274580456
Energy: 0.5977371465603836
Energy: 0.5974582274580456
Energy: 0.4792383983486485
Energy: 0.6210378736969441
Energy: 0.4792383983481179
Energy: 0.6210378736889851
Energy: 0.47923839834970966
Energy: 0.6210378736937605
Energy: 0.4810748217645324
Energy: 0.6521055346604233
Energy: 0.4810748217719607
Energy: 0.6521055346651987
Energy: 0.48107482176347127
Energy: 0.6521055346614845
Energy: 0.48478362078714266
Energy: 0.5661553749407038
Energy: 0.48478362078714266
Energy: 0.5661553749348672
Energy: 0.48478362078608145
Energy: 0.5661553749375201
Energy: 0.4758555862251714
Energy: 0.675329754269084
Energy: 0.4758555862251714
Energy: 0.6753297542712065
Energy: 0.4758555862251714
Energy: 0.67532975427439
Energy: 0.5253275780508784
Energy: 0.5661692861897434
Energy: 0.5253275780514091
Energy: 0.566169286282549
Energy: 0.5253275780514091
Energy: 0.5661692862464687
Energy: 0.6302979218136031
Energy: 0.5762564004650214
Energy: 0.6302979218194397
Energy: 0.5762564004666131
Energy: 0.6302979218194397
Energy: 0.5762564004628989
Energy: 0.6113289813406031
Energy: 0.5917998370230917
Energy: 0.6113289813390113
Energy: 0.5917998370230917
Energy: 0.6113289813379501
Energy: 0.5917998370230917
Energy: 0.5410974402682897
Energy: 0.6828420125487431
Energy: 0.5410974402534331
Energy: 0.6828420125476818
Energy: 0.5410974402666978
Energy: 0.6828420125476818
Energy: 0.5812633685158015
Energy: 0.6949164353561241
Energy: 0.5812633685184546
Energy: 0.6949164353561241
Energy: 0.5812633685184546
Energy: 0.6949164353529407
Energy: 0.6039067549324898
Energy: 0.613594287467689
Energy: 0.6039067549340816
Energy: 0.613594287467689
Energy: 0.6039067549324898
Energy: 0.613594287467689
Energy: 0.6042163864962959
Energy: 0.45550260275818416
Energy: 0.6042163864962959
Energy: 0.45550260275765353
Energy: 0.6042163864962959
Energy: 0.4555026027608371
Energy: 0.5575478256888875
Energy: 0.6112462295035221
Energy: 0.5575478256904793
Energy: 0.6112462295067057
Energy: 0.5575478256894182
Energy: 0.6112462295061751
Energy: 0.6074804684730192
Energy: 0.6973781094245619
Energy: 0.6074804684677132
Energy: 0.6973781094240312
Energy: 0.6074804684634685
Energy: 0.6973781094250924
Energy: 0.6783524657019562
Energy: 0.5330763419606516
Energy: 0.6783524657019562
Energy: 0.5330763419564069
Energy: 0.6783524656998339
Energy: 0.5330763419537538
Energy: 0.572095890146057
Energy: 0.4770538661857886
Energy: 0.572095890146057
Energy: 0.47705386533191957
Energy: 0.5720958901449958
Energy: 0.47705386429774543
Energy: 0.5107575009651254
Energy: 0.6867536631631678
Energy: 0.5107575009492076
Energy: 0.6867536631621065
Energy: 0.510757500959289
Energy: 0.6867536631636982
Energy: 0.7049676194490303
Energy: 0.47177809917011243
Energy: 0.704967619450622
Energy: 0.47177809858457886
Energy: 0.7049676194495609
Energy: 0.4717780989325032
Energy: 0.6791816205610132
Energy: 0.42453619678025173
Energy: 0.6791816205530544
Energy: 0.424536197409294
Energy: 0.6791816205620744
Energy: 0.4245361973042848
Energy: 0.5440833831989289
Energy: 0.595802785885622
Energy: 0.5440833832626001
Energy: 0.5958027858872137
Energy: 0.5440833835134259
Energy: 0.5958027858872137
Energy: 0.7142857786009424
Energy: 0.5703586435652088
Energy: 0.7142857786014729
Energy: 0.5703586670557708
Energy: 0.7142857786014729
Energy: 0.5703586440027552
Energy: 0.485237869271265
Energy: 0.4531703657068198
Energy: 0.4852378692728568
Energy: 0.4531703656034023
Energy: 0.48523786926755086
Energy: 0.4531703656680865
Energy: 0.4944965038657451
Energy: 0.6047281600719309
Energy: 0.4944965038673369
Energy: 0.6047281600698086
Energy: 0.49449650386362276
Energy: 0.6047281600714003
Energy: 0.5403439542891234
Energy: 0.6794232500908242
Energy: 0.5403439542885929
Energy: 0.6794232500850359
Energy: 0.5403439542896541
Energy: 0.6794232500876888
Energy: 0.5918695975695905
Energy: 0.4663601295790729
Energy: 0.591869597570121
Energy: 0.4663601295790729
Energy: 0.5918695975706517
Energy: 0.46636012957960343
Energy: 0.5536690417320569
Energy: 0.7474356231264778
Energy: 0.5536690417320569
Energy: 0.7474356231280697
Energy: 0.5536690417315262
Energy: 0.7474356231280697
Energy: 0.5328796513823798
Energy: 0.625406796246888
Energy: 0.5328796513813185
Energy: 0.6254067961238386
Energy: 0.5328796513823798
Energy: 0.6254067966393821
Energy: 0.6089948651720097
Energy: 0.5720190556081856
Energy: 0.6089948651746626
Energy: 0.5720190556065938
Energy: 0.6089948651736015
Energy: 0.572019055607655
Energy: 0.5081537791034804
Energy: 0.6031169384217282
Energy: 0.5081537791066639
Energy: 0.6031169384222589
Energy: 0.5081537791034804
Energy: 0.6031169384227894
Energy: 0.6098074659852993
Energy: 0.5830580777734842
Energy: 0.6098074659847689
Energy: 0.5830580777718924
Energy: 0.6098074659847689
Energy: 0.5830580777745454
Energy: 0.4678073801102568
Energy: 0.5768835239537395
Energy: 0.46780738011503226
Energy: 0.5768835239542701
Energy: 0.46780738010813444
Energy: 0.5768835239510866

minimum gb energy = 0.41168675871053584 eV
minimum distance =  2.40315208241935 Angstroms
sigma value = 67


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

Energy: 0.5725288883587967
Energy: 0.9906318511692339
Energy: 0.5725288883580406
Energy: 0.990631851168478
Energy: 0.5725288883603088
Energy: 0.9906318511692339
Energy: 0.691822315577311
Energy: 0.667601270107819
Energy: 0.6918223155742869
Energy: 0.6676012701108432
Energy: 0.691822315577311
Energy: 0.6676012701206716
Energy: 0.6677396742417282
Energy: 0.6679711638510772
Energy: 0.6677396742439963
Energy: 0.6679711638518334
Energy: 0.6677396742439963
Energy: 0.6679711638533454
Energy: 0.6450088947581827
Energy: 0.8342445511472422
Energy: 0.6450088947604509
Energy: 0.8342445511472422
Energy: 0.6450088947544026
Energy: 0.8342445511464861
Energy: 0.6642522278677495
Energy: 0.6610030650794244
Energy: 0.6642522278647253
Energy: 0.6610030650733761
Energy: 0.6642522278669934
Energy: 0.6610030650801805
Energy: 0.7576192023127895
Energy: 0.5486696362946374
Energy: 0.7576192023127895
Energy: 0.5486696362908573
Energy: 0.7576192023135454
Energy: 0.5486696362908573
Energy: 0.636445235369614
Energy: 0.8385988655701576
Energy: 0.6364452353643216
Energy: 0.8385988655671335
Energy: 0.636445235371882
Energy: 0.8385988655701576
Energy: 0.9994077534769951
Energy: 0.6616404663157481
Energy: 0.9994077534769951
Energy: 0.6616404663127239
Energy: 0.9994077534777512
Energy: 0.6616404663180162
Energy: 0.834511210573827
Energy: 0.6346647956401401
Energy: 0.8345112105730709
Energy: 0.6346647956454323
Energy: 0.8345112105723149
Energy: 0.6346647956431642
Energy: 0.7772789898927455
Energy: 0.8115658902575398
Energy: 0.7772789898942576
Energy: 0.8115658902582958
Energy: 0.7772789898957697
Energy: 0.8115658902575398
Energy: 0.9185180368973714
Energy: 0.7197199247691186
Energy: 0.9185180368988836
Energy: 0.7197199247676067
Energy: 0.9185180368981275
Energy: 0.7197199247676067
Energy: 0.6690143310327828
Energy: 0.6254872445582401
Energy: 0.6690143310320268
Energy: 0.6254872445620203
Energy: 0.6690143310312706
Energy: 0.6254872445484804
Energy: 0.6763401818968988
Energy: 0.9212856181174696
Energy: 0.6763401818968988
Energy: 0.9212856181174696
Energy: 0.6763401818968988
Energy: 0.9212856181182255
Energy: 0.8202250401212309
Energy: 0.5618051901986131
Energy: 0.820225040121987
Energy: 0.5618051902023934
Energy: 0.8202250401227429
Energy: 0.561805190196345
Energy: 0.6805640220624969
Energy: 0.6540770398195466
Energy: 0.680564022064009
Energy: 0.6540770398195466
Energy: 0.6805640220572047
Energy: 0.6540770398233267
Energy: 0.6731056789565601
Energy: 0.6075218154409133
Energy: 0.6731056789580724
Energy: 0.6075218154401573
Energy: 0.6731056789558042
Energy: 0.6075218154439375
Energy: 0.7619013937169985
Energy: 0.565795182512727
Energy: 0.7619013937169985
Energy: 0.5657951825210434
Energy: 0.7619013937169985
Energy: 0.5657951825187753
Energy: 0.8294075731551432
Energy: 0.652428189028381
Energy: 0.8294075731528752
Energy: 0.6524281890253567
Energy: 0.8294075731536311
Energy: 0.652428189028381
Energy: 0.5528668596741202
Energy: 0.8151528004954514
Energy: 0.5528668596756324
Energy: 0.8151528004962074
Energy: 0.5528668596763884
Energy: 0.8151528004954514
Energy: 0.8970788052417046
Energy: 0.7895491977198562
Energy: 0.8970788052401925
Energy: 0.7895491977183442
Energy: 0.8970788052409486
Energy: 0.7895491977183442
Energy: 0.7396202287707605
Energy: 0.7610013404646224
Energy: 0.7396202287707605
Energy: 0.7610013404661347
Energy: 0.7396202287730286
Energy: 0.7610013404661347
Energy: 0.6474625971490966
Energy: 0.948692657010826
Energy: 0.6474625971536329
Energy: 0.948692657011582
Energy: 0.6474625971498527
Energy: 0.948692657010826
Energy: 0.8141959640985329
Energy: 0.7918872151725374
Energy: 0.8141959640985329
Energy: 0.7918872151725374
Energy: 0.8141959640977768
Energy: 0.7918872151725374

minimum gb energy = 0.5486696362908573 eV
minimum distance =  2.40784750260124 Angstroms
sigma value = 33


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

Energy: 0.6102516775585695
Energy: 0.9535850945425407
Energy: 0.6102516775528142
Energy: 0.9535850945420612
Energy: 0.6102516775556918
Energy: 0.9535850945454185
Energy: 0.8101563332282171
Energy: 0.7782283065384124
Energy: 0.810156333226778
Energy: 0.7782283065408104
Energy: 0.8101563332248597
Energy: 0.7782283065384124
Energy: 0.6959392716174896
Energy: 0.7722632286847181
Energy: 0.6959392716093361
Energy: 0.7722632286866367
Energy: 0.6959392716146119
Energy: 0.7722632286847181
Energy: 0.7541587177074572
Energy: 0.9060407133114264
Energy: 0.7541587177098552
Energy: 0.9060407133133448
Energy: 0.754158717708896
Energy: 0.9060407133099874
Energy: 1.0900267385226559
Energy: 0.7643478921047636
Energy: 1.0900267385221765
Energy: 0.7643478920793442
Energy: 1.0900267385216966
Energy: 0.7643478921244278
Energy: 0.8341422535508998
Energy: 0.6364876052744092
Energy: 0.8341422535485017
Energy: 0.6364876052753684
Energy: 0.834142253554257
Energy: 0.7196012022289231
Energy: 0.7788295786336688
Energy: 0.7347905464218857
Energy: 0.7788295786331891
Energy: 0.7347905464333965
Energy: 0.778829578630791
Energy: 0.7347905464175691
Energy: 1.1042408986877583
Energy: 0.6349724658041733
Energy: 1.1042408986824823
Energy: 0.6349724658060918
Energy: 1.1042408986901564
Energy: 0.6349724658032141
Energy: 0.7643522490304371
Energy: 0.707874468738242
Energy: 0.7643522490313963
Energy: 0.7078744687392012
Energy: 0.7643522490361925
Energy: 0.7078744687300885
Energy: 0.9865515366316079
Energy: 0.932809094178136
Energy: 0.9865515366301691
Energy: 0.7813365434553836
Energy: 0.9865515366330468
Energy: 0.8239448311583546
Energy: 1.0119254826200912
Energy: 0.5999024061763583
Energy: 1.0119254826210504
Energy: 0.5999024061797156
Energy: 1.01192548262153
Energy: 0.599902406179236
Energy: 0.7644087315615807
Energy: 0.6953569994344858
Energy: 0.7644087315606215
Energy: 0.6953569994349653
Energy: 0.7644087315615807
Energy: 0.6953569994325672
Energy: 0.7974247023644372
Energy: 0.974686927532361
Energy: 0.7974247023706287
Energy: 0.9746869275318814
Energy: 0.7974247023744657
Energy: 0.9746869275318814
Energy: 0.9884748570219632
Energy: 0.6120257240306285
Energy: 0.9884748570205244
Energy: 0.6120257240282304
Energy: 0.9884748570214836
Energy: 0.6120257240296691
Energy: 0.7088490376754085
Energy: 0.795063936667587
Energy: 0.7088490376725309
Energy: 0.795063936669026
Energy: 0.7088490376840416
Energy: 0.7950639366685464
Energy: 0.7542850135638235
Energy: 1.1273830552366049
Energy: 0.7542850135628644
Energy: 1.1273830552356456
Energy: 0.7542850135638235
Energy: 1.127383055239003
Energy: 0.9839038877637976
Energy: 0.9291193834001972
Energy: 0.9839038877652365
Energy: 0.9291193833992379
Energy: 0.9839038877633179
Energy: 0.9291193834001972
Energy: 0.8765407993122953
Energy: 0.9749295265118941
Energy: 0.876540799314214
Energy: 0.9749295265075777
Energy: 0.8765407993118157
Energy: 0.9749295265104554
Energy: 0.8051828231818781
Energy: 0.8547336189297979
Energy: 0.805182823188113
Energy: 0.8547336189293183
Energy: 0.8051828231770818
Energy: 0.8547336189288386
Energy: 1.0327798188227164
Energy: 0.804718388120341
Energy: 1.0327798188222366
Energy: 0.8047183881146293
Energy: 1.0327798188222366
Energy: 0.8047183881165041
Energy: 0.6276577553338638
Energy: 0.8781643458168529
Energy: 0.6276577553458542
Energy: 0.8781643458182916
Energy: 0.6276577553458542
Energy: 0.8781643458182916
Energy: 0.9974747475510235
Energy: 0.6917159576021297
Energy: 0.9974747475495845
Energy: 0.6917159576016502
Energy: 0.9974747475510235
Energy: 0.6917159576035685
Energy: 1.03793275301808
Energy: 0.5985236725773706
Energy: 1.0379327530185594
Energy: 0.5985236725773706
Energy: 1.0379327530176004
Energy: 0.598523672576891
Energy: 0.9315775473042376
Energy: 0.6957557682533861
Energy: 0.9315775473075949
Energy: 0.6957557682524268
Energy: 0.9315775473075949
Energy: 0.6957557682519473
Energy: 0.7809335136154751
Energy: 0.6953016522487317
Energy: 0.7809335136164343
Energy: 0.6953016522501706
Energy: 0.7809335136154751
Energy: 0.6953016522511298
Energy: 1.0306793537661858
Energy: 0.6162109487001346
Energy: 1.030679353768584
Energy: 0.6162109486962977
Energy: 1.0306793537681045
Energy: 0.6162109486982162
Energy: 0.7792584400996351
Energy: 0.9173612949845804
Energy: 0.7792584401053905
Energy: 0.9173612949855398
Energy: 0.7792584401053905
Energy: 0.9173612949864991
Energy: 0.807523909356767
Energy: 0.9672018868757905
Energy: 0.8075239093663594
Energy: 0.7912644135026013
Energy: 0.8075239093706759
Energy: 0.7912644134949274
Energy: 1.142141071738807
Energy: 0.8118089931029284
Energy: 1.1421410717378477
Energy: 0.8118089931053265
Energy: 1.1421410717383276
Energy: 0.81180899310101
Energy: 0.7754234759677621
Energy: 0.9647081250723822
Energy: 0.7754234759672826
Energy: 0.9647081250685453
Energy: 0.7754234759677621
Energy: 0.9647081250728617
Energy: 0.8248566600824934
Energy: 0.8292846236155589
Energy: 0.8248566600829728
Energy: 0.8292846236174773
Energy: 0.8248566600839321
Energy: 0.8292846236122016
Energy: 1.0952462390485924
Energy: 0.7719988792107446
Energy: 1.0952462390471538
Energy: 0.7719988792078669
Energy: 1.0952462390481126
Energy: 0.7719988792064282
Energy: 0.6196842729513811
Energy: 1.1010584504292464
Energy: 0.6196842729532995
Energy: 1.1010584504364407
Energy: 0.6196842729585753
Energy: 1.1010584504465124
Energy: 0.6904640273555066
Energy: 0.7764254786735748
Energy: 0.6904640273655784
Energy: 0.7764254786740544
Energy: 0.6904640273574251
Energy: 0.7764254786735748
Energy: 0.6985502678166494
Energy: 0.7729193454731097
Energy: 0.6985502678228844
Energy: 0.7729193454740689
Energy: 0.6985502678142513
Energy: 0.7729193454731097
Energy: 0.6234079072762089
Energy: 0.9412470682853511
Energy: 0.6234079072690145
Energy: 0.9412470682867901
Energy: 0.623407907268535
Energy: 0.9412470682867901
Energy: 0.6836041497785357
Energy: 0.7092155702786527
Energy: 0.6836041497761376
Energy: 0.7092155702762547
Energy: 0.6836041497871688
Energy: 0.7092155702805713

minimum gb energy = 0.598523672576891 eV
minimum distance =  2.36959912231036 Angstroms
sigma value = 41


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

Energy: 0.9700636348168858
Energy: 1.3703459917348983
Energy: 0.774676494201372
Energy: 1.3703459917348983
Energy: 0.9700636349215858
Energy: 1.3703459917348983
Energy: 1.1090116557257357
Energy: 1.2873125134974368
Energy: 1.1090116557257357
Energy: 1.2873125134974368
Energy: 1.1090116557231167
Energy: 1.2873125134974368
Energy: 0.9721374526861596
Energy: 1.0453794990021423
Energy: 0.9721374526835406
Energy: 1.0453794990008327
Energy: 1.1446738232047493
Energy: 1.0453794990034517
Energy: 1.0520108169444453
Energy: 0.9356883390315244
Energy: 1.0520108169457547
Energy: 0.9356883390302148
Energy: 1.0520108169444453
Energy: 0.9356883390289054
Energy: 1.2329829116187847
Energy: 1.1774862005968483
Energy: 1.2329829116187847
Energy: 1.1774862005968483
Energy: 1.2329829116187847
Energy: 1.1774862005968483
Energy: 1.1069249069787712
Energy: 1.1850056436275043
Energy: 1.1069249069800806
Energy: 1.1850056436261946
Energy: 1.1069249069813902
Energy: 1.1850056436248853
Energy: 1.262259251865575
Energy: 1.042324225319762
Energy: 1.262259251865575
Energy: 1.0423242253210716
Energy: 1.262259251865575
Energy: 1.042324225322381
Energy: 1.5534807687967438
Energy: 0.9151257192984371
Energy: 1.5534807687967438
Energy: 0.9151257192984371
Energy: 1.5534807687980532
Energy: 0.9151257192984371
Energy: 1.2119476295275817
Energy: 1.245960651121606
Energy: 0.996202071804609
Energy: 1.2459606511202965
Energy: 1.2119476295262723
Energy: 1.2459606511202965
Energy: 1.2156748190818776
Energy: 1.3754879135339961
Energy: 1.0425646387782679
Energy: 1.3754879135339961
Energy: 1.2156748190818776
Energy: 1.3754879135339961
Energy: 1.0280786768375767
Energy: 0.9281633777866396
Energy: 1.028078676836267
Energy: 0.9281633777866396
Energy: 1.009854433321997
Energy: 0.9281633777866396
Energy: 0.8997163489466496
Energy: 1.0448159958741814
Energy: 0.8997163489479592
Energy: 1.0448159958741814
Energy: 0.8997163489466496
Energy: 1.044815995872872
Energy: 1.0922386797118877
Energy: 1.084176778243792
Energy: 1.092238679710578
Energy: 1.0841767782451017
Energy: 1.0922386797118877
Energy: 1.0841767782451017
Energy: 1.642488247595466
Energy: 0.9917464157811791
Energy: 1.6424882475941565
Energy: 0.9917464157824886
Energy: 1.642488247595466
Energy: 0.9917464157811791

minimum gb energy = 0.774676494201372 eV
minimum distance =  2.35862530395921 Angstroms
sigma value = 11


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

Energy: 1.6261091982434608
Energy: 1.3961679168773036
Energy: 1.6261091982446112
Energy: 1.3961679168750025
Energy: 1.626109198244036
Energy: 1.3961679168767283
Energy: 1.4349722203610897
Energy: 1.4439657994677073
Energy: 1.4349722203582136
Energy: 1.443965799466557
Energy: 1.4349722203564876
Energy: 1.4439657994677073
Energy: 1.2581998564071368
Energy: 1.290835611192276
Energy: 1.2581998564059864
Energy: 1.290835611192276
Energy: 1.2581998564071368
Energy: 1.290835611192276
Energy: 1.5095247152517504
Energy: 1.2002148729098947
Energy: 1.5095247152529008
Energy: 1.20021487291047
Energy: 1.509524715251175
Energy: 1.2002148729093196
Energy: 1.2762080179668178
Energy: 1.1131686324840124
Energy: 1.2762080179656674
Energy: 1.1131686324794106
Energy: 1.276208017967393
Energy: 1.11316863247826
Energy: 1.3199895283421204
Energy: 1.2792222496547383
Energy: 1.3199895283421204
Energy: 1.2792222496547383
Energy: 1.3199895283421204
Energy: 1.2792222496535877
Energy: 1.483825270840846
Energy: 1.3015797407930612
Energy: 1.4838252708414212
Energy: 1.3015797407930612
Energy: 1.483825270840846
Energy: 1.3015797407930612
Energy: 1.4412016996573507
Energy: 1.398413898405893
Energy: 1.4412016996567756
Energy: 1.3984138984064682
Energy: 1.4412016996567756
Energy: 1.3984138984070174
Energy: 1.3563612946469712
Energy: 1.2907721270116475
Energy: 1.3563612946458208
Energy: 1.2907721270116475
Energy: 1.3563612946469712
Energy: 1.290772127011072
Energy: 1.3139409636262152
Energy: 1.3290005504665277
Energy: 1.3139409636262152
Energy: 1.3290005504676783
Energy: 1.3139409636262152
Energy: 1.3290005504671032
Energy: 1.2797901818600672
Energy: 1.3419594194396822
Energy: 1.2797901818640942
Energy: 1.3419594194385318
Energy: 1.2797901818600672
Energy: 1.3419594194396822
Energy: 1.2593072288349287
Energy: 1.1638074988360336
Energy: 1.2593072288406812
Energy: 1.1638074988325822
Energy: 1.2593072288389553
Energy: 1.163807498829706
Energy: 1.5076818643375094
Energy: 1.2783236657596995
Energy: 1.5076818643398104
Energy: 1.2783236657596995
Energy: 1.507681864336934
Energy: 1.2783236657591242
Energy: 1.3217445686348837
Energy: 1.3004326547913647
Energy: 1.3217445686394858
Energy: 1.3004326548011178
Energy: 1.3217445686348837
Energy: 1.300432654799392
Energy: 1.3060867193402748
Energy: 1.425048630317932
Energy: 1.3060867193402748
Energy: 1.425048630317932
Energy: 1.3297272529777995
Energy: 1.4250486303190828
Energy: 1.3857428519114952
Energy: 1.3310927260476126
Energy: 1.3857428519132209
Energy: 1.3310927260476126
Energy: 1.3857428519109198
Energy: 1.331092726047037
Energy: 1.389732682590504
Energy: 1.333303139104587
Energy: 1.389732682590504
Energy: 1.3333031391040118
Energy: 1.3897326825910794
Energy: 1.333303139104587
Energy: 1.3676187540361089
Energy: 1.2776214822196645
Energy: 1.3676187540355336
Energy: 1.2776214822259924
Energy: 1.3676187540355336
Energy: 1.2776214822202399
Energy: 1.2382238543130117
Energy: 1.204213118622897
Energy: 1.2382238543176136
Energy: 1.204213118622897
Energy: 1.2382238543187642
Energy: 1.204213118622322
Energy: 1.3467623833648354
Energy: 1.3021839750959228
Energy: 1.34676238336311
Energy: 1.3021839751011
Energy: 1.3467623833654108
Energy: 1.3021839751011
Energy: 1.4260996674233128
Energy: 1.293607873787157
Energy: 1.4260996674227373
Energy: 1.293607873782555
Energy: 1.426099667421587
Energy: 1.293607873786582
Energy: 1.509448673637969
Energy: 1.3714914088797439
Energy: 1.5094486736373938
Energy: 1.3714914088791688
Energy: 1.5094486736408452
Energy: 1.3714914088780183
Energy: 1.1833923065682055
Energy: 1.4395390161784969
Energy: 1.1833923065595766
Energy: 1.4395390161779216
Energy: 1.183392306569356
Energy: 1.43953901617447
Energy: 1.1455038884462778
Energy: 1.3515584044318434
Energy: 1.14550388843995
Energy: 1.3515584044312683
Energy: 1.1455038884462778
Energy: 1.3515584044312683
Energy: 1.2830405310072983
Energy: 1.3236899136544376
Energy: 1.2830405310072983
Energy: 1.3236899136544376
Energy: 1.2830405310072983
Energy: 1.3236899136544376
Energy: 1.286231123953779
Energy: 1.1757246524728175
Energy: 1.286231123953779
Energy: 1.1757246524756677
Energy: 1.286231123953779
Energy: 1.175724652474543
Energy: 1.2186793159742266
Energy: 1.3137696849620726
Energy: 1.2186793159748022
Energy: 1.313769684963223
Energy: 1.2186793159673237
Energy: 1.3137696849620726
Energy: 1.3459129692573555
Energy: 1.4262979226511068
Energy: 1.345912969259081
Energy: 1.4262979226499564
Energy: 1.3459129692579306
Energy: 1.4262979226511068
Energy: 1.3465699803911322
Energy: 1.3765575706103876
Energy: 1.3465699803917075
Energy: 1.3765575706115383
Energy: 1.3465699803922826
Energy: 1.3765575706121136
Energy: 1.276020128930808
Energy: 1.246640936572424
Energy: 1.2760201289394368
Energy: 1.2466409365735744
Energy: 1.2760201289313835
Energy: 1.246640936572424
Energy: 1.4312127084805268
Energy: 1.2232835914059597
Energy: 1.4312127084788013
Energy: 1.2232835914071103
Energy: 1.4312127084793764
Energy: 1.2232835914048092

minimum gb energy = 1.11316863247826 eV
minimum distance =  2.32980407662744 Angstroms
sigma value = 57


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

Energy: 1.395257387167296
Energy: 1.5683028567910133
Energy: 1.385358925803793
Energy: 1.5683028567930606
Energy: 1.3952573871662721
Energy: 1.568302856792037
Energy: 1.5115340379729343
Energy: 1.279346462333017
Energy: 1.511534037973958
Energy: 1.279346462333017
Energy: 1.511534037973958
Energy: 1.279346462333017
Energy: 1.3369581211972754
Energy: 1.1986502988310306
Energy: 1.3369581211972754
Energy: 1.198650298832054
Energy: 1.3369581211962516
Energy: 1.1986502988310306
Energy: 1.3768397373302623
Energy: 1.278976214409332
Energy: 1.3768397373302623
Energy: 1.2789762144103556
Energy: 1.3768397373302623
Energy: 1.2908029065484397
Energy: 1.4468849475900103
Energy: 1.1986158852917441
Energy: 1.4468849475900103
Energy: 1.1986158852917441
Energy: 1.4468849475900103
Energy: 1.1986158852907207
Energy: 1.3901139250801942
Energy: 1.1923643411445313
Energy: 1.3901139250801942
Energy: 1.1923643411445313
Energy: 1.3901139250791703
Energy: 1.1923643411455551
Energy: 1.3853589258027696
Energy: 1.5683028567930606
Energy: 1.3853589258027696
Energy: 1.5683028567930606
Energy: 1.3853589258027696
Energy: 1.5683028567930606
Energy: 1.5115340379729343
Energy: 1.279346462334041
Energy: 1.511534037973958
Energy: 1.279346462333017
Energy: 1.5115340379729343
Energy: 1.279346462333017
Energy: 1.3369581211962516
Energy: 1.1986502988310306
Energy: 1.3369581211972754
Energy: 1.1986502988310306
Energy: 1.3369581211972754
Energy: 1.1986502988310306
Energy: 1.376839737331286
Energy: 1.3681369596304513
Energy: 1.376839737331286
Energy: 1.2785560951299444
Energy: 1.376839737331286
Energy: 1.2785560951299444
Energy: 1.446884947591034
Energy: 1.1986627729952184
Energy: 1.4468849475900103
Energy: 1.198662772996242
Energy: 1.4468849475900103
Energy: 1.198662772996242
Energy: 1.4617461650665113
Energy: 1.3155646247824269
Energy: 1.390113925078147
Energy: 1.3155646247834507
Energy: 1.4617461650665113
Energy: 1.3155646247834507
Energy: 1.395257387167296
Energy: 1.5683028567940842
Energy: 1.385358925801746
Energy: 1.568302856792037
Energy: 1.395257387167296
Energy: 1.568302856792037
Energy: 1.5115340379729343
Energy: 1.279346462333017
Energy: 1.511534037973958
Energy: 1.2793464623319935
Energy: 1.5115340379729343
Energy: 1.279346462333017
Energy: 1.336958121198299
Energy: 1.1986502988310306
Energy: 1.3369581211972754
Energy: 1.1986502988310306
Energy: 1.3369581211972754
Energy: 1.1986502988310306
Energy: 1.3768397373323096
Energy: 1.368136959631475
Energy: 1.3768397373323096
Energy: 1.231350254284704
Energy: 1.3768397373323096
Energy: 1.2313502542826567
Energy: 1.446884947587963
Energy: 1.1986158852917441
Energy: 1.446884947587963
Energy: 1.1986158852917441
Energy: 1.446884947587963
Energy: 1.1986158852917441

minimum gb energy = 1.1923643411445313 eV
minimum distance =  2.22133205469758 Angstroms
sigma value = 9


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

Energy: 1.6032928663120722
Energy: 1.5957199116377054
Energy: 1.5932455602794284
Energy: 1.5957199116377054
Energy: 1.6032928663162513
Energy: 1.5957199116377054
Energy: 1.6692810830076024
Energy: 1.4073914406149117
Energy: 1.669281083009274
Energy: 1.4073914406157475
Energy: 1.6692810830084384
Energy: 1.4073914406140762
Energy: 1.3369515054923506
Energy: 1.5412174652936446
Energy: 1.3369515054931864
Energy: 1.5412174652936446
Energy: 1.1465969132112188
Energy: 1.5412174652936446
Energy: 1.4895992700043033
Energy: 1.4351145238387757
Energy: 1.489599270005139
Energy: 1.43511452383794
Energy: 1.4895992700034675
Energy: 1.4351145238345966
Energy: 1.3126333558176082
Energy: 1.4363560928990131
Energy: 1.3126333558192802
Energy: 1.4363560928990131
Energy: 1.3126333558192802
Energy: 1.4363560928998491
Energy: 1.5175925713992788
Energy: 1.655297154411277
Energy: 1.5175925713992788
Energy: 1.655297154411277
Energy: 1.5175925714001146
Energy: 1.655297154412113
Energy: 1.413115846567794
Energy: 1.4367807145484377
Energy: 1.4131158465644507
Energy: 1.436780714547602
Energy: 1.4131158465644507
Energy: 1.4367807145484377
Energy: 1.4012999568114468
Energy: 1.3367798738329146
Energy: 1.4012999568089393
Energy: 1.3367798738320789
Energy: 1.4012999568097753
Energy: 1.3367798738329146
Energy: 1.4261969118157214
Energy: 1.4191006430641986
Energy: 1.4260313526192272
Energy: 1.4191006430641986
Energy: 1.1624277884602414
Energy: 1.4191006430641986
Energy: 1.4581982290355104
Energy: 1.6531981333226795
Energy: 1.4581967975479717
Energy: 1.6531981333235153
Energy: 1.458198229037182
Energy: 1.6531981333235153
Energy: 1.4280634410317175
Energy: 1.611502751351154
Energy: 1.4280634410317175
Energy: 1.6115027513528257
Energy: 1.4280634410325532
Energy: 1.6115027513528257
Energy: 1.503124729022508
Energy: 1.5156936417896125
Energy: 1.5031247290258516
Energy: 1.5156936417887763
Energy: 1.503124729022508
Energy: 1.5156936417896125
Energy: 1.321974431293997
Energy: 1.5991573507312782
Energy: 1.321974431293997
Energy: 1.599157350730442
Energy: 1.321974431293997
Energy: 1.599157350730442
Energy: 1.3608945799590655
Energy: 1.305816203422194
Energy: 1.3608945799599013
Energy: 1.305816203422194
Energy: 1.3608945799573935
Energy: 1.3058162034213583
Energy: 1.538169427455966
Energy: 1.7121760664467256
Energy: 1.4820351713417308
Energy: 1.7121760664475612
Energy: 1.53816942745513
Energy: 1.7121760664458896
Energy: 1.460773495975792
Energy: 1.4852731500871843
Energy: 1.4171568070949234
Energy: 1.4852731500871843
Energy: 1.460773495975792
Energy: 1.4852731500855127
Energy: 1.5975077327929368
Energy: 1.464410628397082
Energy: 1.5607101927681177
Energy: 1.4644106283987537
Energy: 1.5975077327954446
Energy: 1.4644106283987537
Energy: 1.6791933934662429
Energy: 1.5605638928328613
Energy: 1.6791933934386603
Energy: 1.5605638928328613
Energy: 1.6791933933309147
Energy: 1.5605638928336973
Energy: 1.499837844002724
Energy: 1.6071604214767
Energy: 1.4998378440010525
Energy: 1.6071604214758644
Energy: 1.499837844002724
Energy: 1.6071604214767
Energy: 1.3713657257416243
Energy: 1.478956284020584
Energy: 1.3713657257416243
Energy: 1.4789562840197483
Energy: 1.3713657257407887
Energy: 1.478956284020584
Energy: 1.6204957545942242
Energy: 1.587432601022502
Energy: 1.587744492253367
Energy: 1.587432601022502
Energy: 1.6204957545950602
Energy: 1.587432601022502

minimum gb energy = 1.1465969132112188 eV
minimum distance =  2.23875634763607 Angstroms
sigma value = 27


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

Energy: 1.497593477891406
Energy: 1.3737668680051942
Energy: 1.497593477891406
Energy: 1.3737668680051942
Energy: 1.4975934778921103
Energy: 1.3737668680051942
Energy: 1.4173250621488718
Energy: 1.4621673155497692
Energy: 1.4173250621488718
Energy: 1.4621673155497692
Energy: 1.4173250621488718
Energy: 1.4621673155497692
Energy: 1.5280738613756082
Energy: 1.2060169866235562
Energy: 1.52807386138054
Energy: 1.2060169866235562
Energy: 1.5280738613784264
Energy: 1.2060169866235562
Energy: 1.4979409493074116
Energy: 1.523717268226938
Energy: 1.497940949306707
Energy: 1.5237172682191877
Energy: 1.497940949306707
Energy: 1.5237172682241196
Energy: 1.4610567488757797
Energy: 1.2944471515721372
Energy: 1.4610567488757797
Energy: 1.294447151573514
Energy: 1.4610567488771888
Energy: 1.294447151573514
Energy: 1.4647814279693872
Energy: 1.50173052957279
Energy: 1.4647814279686826
Energy: 1.5017305295734944
Energy: 1.4647814279693872
Energy: 1.5017305295741992
Energy: 1.4972988558287417
Energy: 1.3864960156694577
Energy: 1.4972988558287417
Energy: 1.3864960156701625
Energy: 1.4972988558287417
Energy: 1.3864960156694577
Energy: 1.573810036836491
Energy: 1.5719753414906015
Energy: 1.5738100368371952
Energy: 1.5719753414906015
Energy: 1.573810036836491
Energy: 1.5719753414920103
Energy: 1.4815248607495173
Energy: 1.5020714564125464
Energy: 1.4815248607495173
Energy: 1.5020714564125464
Energy: 1.4815248607495173
Energy: 1.5020714564132511
Energy: 1.4973923137459213
Energy: 1.3877771443917488
Energy: 1.497392313746626
Energy: 1.3877771443924536
Energy: 1.4973923137473304
Energy: 1.3877771443910443
Energy: 1.4973887350491915
Energy: 1.3869173660995342
Energy: 1.4973887350463735
Energy: 1.3869173660995342
Energy: 1.4973887350477826
Energy: 1.3869173661002387
Energy: 1.4816543616572753
Energy: 1.5019422863737317
Energy: 1.4816543616586844
Energy: 1.5019422863751408
Energy: 1.4816543616572753
Energy: 1.5019422863758454
Energy: 1.5736944538166657
Energy: 1.5722921360829571
Energy: 1.5736944538166657
Energy: 1.5722921360836621
Energy: 1.5736944538159614
Energy: 1.5722921360843345
Energy: 1.4973142021367427
Energy: 1.3866318998158602
Energy: 1.4973142021367427
Energy: 1.3866318998165648
Energy: 1.4973142021367427
Energy: 1.3866318998165648
Energy: 1.4647522373640054
Energy: 1.5017602785562476
Energy: 1.4647522373640054
Energy: 1.5017602785562476
Energy: 1.4647522373640054
Energy: 1.5017602785562476
Energy: 1.4612390978834024
Energy: 1.2944795487719236
Energy: 1.461239097882698
Energy: 1.294479548772628
Energy: 1.461239097882698
Energy: 1.2944795487733327
Energy: 1.497870975996328
Energy: 1.5235880956219232
Energy: 1.497870975996328
Energy: 1.5235880956155823
Energy: 1.497870975996328
Energy: 1.5235880956155823
Energy: 1.5284375878080838
Energy: 1.205863271669317
Energy: 1.5284375878080838
Energy: 1.2058632716700215
Energy: 1.5284375878087564
Energy: 1.2058632716700215
Energy: 1.4173863296562763
Energy: 1.4621219549172313
Energy: 1.4173863296555718
Energy: 1.4621219549137088
Energy: 1.4173863296555718
Energy: 1.4621219549151179
Energy: 1.497593477891406
Energy: 1.3737668680058985
Energy: 1.4975934778921103
Energy: 1.3737668680051942
Energy: 1.497593477891406
Energy: 1.3737668680051942
Energy: 1.4173250621474627
Energy: 1.4621673155582238
Energy: 1.4173250621474627
Energy: 1.4621673155575192
Energy: 1.4173250621488718
Energy: 1.4621673155568145
Energy: 1.5280738613784264
Energy: 1.2060169866242607
Energy: 1.5280738613756082
Energy: 1.2060169866242607
Energy: 1.5280738613770173
Energy: 1.2060169866235562
Energy: 1.497940949305298
Energy: 1.5237172682156652
Energy: 1.4979409493060027
Energy: 1.5237172682107332
Energy: 1.497940949305298
Energy: 1.523717268226938
Energy: 1.4610567488743706
Energy: 1.2944471515728098
Energy: 1.4610567488743706
Energy: 1.2944471515721372
Energy: 1.4610567488750752
Energy: 1.294447151573514
Energy: 1.4647814279686826
Energy: 1.5017305295699719
Energy: 1.4647814279686826
Energy: 1.5017305295678582
Energy: 1.4647814279686826
Energy: 1.5017305295685628

minimum gb energy = 1.205863271669317 eV
minimum distance =  2.38384541511072 Angstroms
sigma value = 19


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

Energy: 1.513479563434352
Energy: 1.5263888895556061
Energy: 1.4457014448140233
Energy: 1.5263888895556061
Energy: 1.5134795634337441
Energy: 1.5263888895537818
Energy: 1.4341168202769636
Energy: 0.8668892608563853
Energy: 1.4341168202769636
Energy: 0.9178829244591329
Energy: 1.4341168202727066
Energy: 0.9184762476332032
Energy: 1.419526866064786
Energy: 1.3386241970258366
Energy: 1.419526866064786
Energy: 1.3386241970264448
Energy: 1.4415288711736753
Energy: 1.3386241970258366
Energy: 1.3271017973216912
Energy: 1.3305105379637547
Energy: 1.327210494663642
Energy: 1.3305105379625386
Energy: 1.3271017973229073
Energy: 1.3305105379631468
Energy: 1.0662177612170711
Energy: 1.3079617073298315
Energy: 1.0650711776914779
Energy: 1.307961707332264
Energy: 1.073475720243185
Energy: 1.3079617073316558
Energy: 1.3456115421816637
Energy: 1.3972476317292954
Energy: 1.3456115421816637
Energy: 1.3972476317292954
Energy: 1.3456115421822719
Energy: 1.3972476317292954
Energy: 1.2247526270720086
Energy: 1.4160069563337934
Energy: 1.224752627070792
Energy: 1.4160069563313609
Energy: 1.2247526270720086
Energy: 1.41600695632832
Energy: 1.312142258939208
Energy: 1.4213737277344196
Energy: 1.3121422589398162
Energy: 1.421373727735028
Energy: 1.3121422589398162
Energy: 1.4213737277228649
Energy: 1.4993177443736159
Energy: 1.375036040150519
Energy: 1.5039446379827426
Energy: 1.375036040150519
Energy: 1.4993177443717915
Energy: 1.375036040150519
Energy: 1.2904161005966965
Energy: 1.424831072959844
Energy: 1.2904161007213129
Energy: 1.424831072959844
Energy: 1.2904161007194883
Energy: 1.4248310729592357
Energy: 1.367082729472367
Energy: 1.3138413393291968
Energy: 1.3670827294747998
Energy: 1.3138413393279804
Energy: 1.3670827294747998
Energy: 1.3138413393285888
Energy: 1.4986661514731547
Energy: 1.28211951268468
Energy: 1.4986661514913715
Energy: 1.28211951268468
Energy: 1.4986661514852901
Energy: 1.28211951268468
Energy: 1.3226468082847624
Energy: 1.3600969995068628
Energy: 1.323644584973098
Energy: 1.3600969995086873
Energy: 1.3226467995069096
Energy: 1.3600969995062546
Energy: 1.3972371460602748
Energy: 1.338807000248556
Energy: 1.3972375118304403
Energy: 1.338807000247948
Energy: 1.3972371460602748
Energy: 1.338807000248556
Energy: 1.4732847413206704
Energy: 1.3619323553035572
Energy: 1.4732847413194539
Energy: 1.361932355302341
Energy: 1.4732847413194539
Energy: 1.3619323553041653
Energy: 1.28990286990409
Energy: 1.3575422335552039
Energy: 1.2899028699046982
Energy: 1.3575422335539873
Energy: 1.28990286990409
Energy: 1.357542233555812
Energy: 1.34474349069564
Energy: 1.4257457380527678
Energy: 1.3447434906950317
Energy: 1.4257457380545921
Energy: 1.34474349069564
Energy: 1.425745738053984
Energy: 1.2794181504292563
Energy: 1.1743280586262472
Energy: 1.2794181504262157
Energy: 1.1743280897918693
Energy: 1.279418150426824
Energy: 1.174328001829153
Energy: 1.476435169176837
Energy: 1.4092977978314634
Energy: 1.4808936426354886
Energy: 1.4092977978308552
Energy: 1.476435169177445
Energy: 1.409297797829639
Energy: 1.2433229890637183
Energy: 1.3872033514209068
Energy: 1.2433229890637183
Energy: 1.3872033514196906
Energy: 1.2433229890643265
Energy: 1.3872033514190825
Energy: 1.2672109400542133
Energy: 1.390940261130337
Energy: 1.2672109400542133
Energy: 1.390940261130337
Energy: 1.2672109400536051
Energy: 1.3909402611309452
Energy: 1.5468312370868662
Energy: 1.325593670603605
Energy: 1.334290966203967
Energy: 1.325593670603605
Energy: 1.3339143816174068
Energy: 1.325593670604213
Energy: 1.365651307550168
Energy: 1.3153396532893236
Energy: 1.28728714743918
Energy: 1.3153396531154742
Energy: 1.365651307393347
Energy: 1.3153396526832697
Energy: 1.603865618678503
Energy: 1.4715498278764279
Energy: 1.4699404837143177
Energy: 1.4715498278764279
Energy: 1.6038656186772868
Energy: 1.4715498278764279
Energy: 1.3316235912521859
Energy: 1.277020638359425
Energy: 1.3316235912521859
Energy: 1.2770206383582086
Energy: 1.331623591251578
Energy: 1.2770206383588167
Energy: 1.25988487738752
Energy: 1.3794013163502683
Energy: 1.25988487738752
Energy: 1.3794013163508765
Energy: 1.25988487738752
Energy: 1.3794013163520928
Energy: 1.3612657666806551
Energy: 0.9527386473229731
Energy: 1.3615709336795394
Energy: 0.899499318798685
Energy: 1.361265766680047
Energy: 0.9280571422334346
Energy: 1.3229942597676423
Energy: 1.4401075815237872
Energy: 1.322994259765818
Energy: 1.4401075815219626
Energy: 1.3229942597682507
Energy: 1.4401075815237872
Energy: 1.3157721043085555
Energy: 1.3997697226290868
Energy: 1.3157721043091637
Energy: 1.3997697226303032
Energy: 1.3157721043091637
Energy: 1.3997697226351682

minimum gb energy = 0.8668892608563853 eV
minimum distance =  2.25311027723028 Angstroms
sigma value = 101


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

Energy: 1.4549733245948573
Energy: 1.291976539470887
Energy: 1.3371876331374941
Energy: 1.291976539470887
Energy: 1.4549733245959267
Energy: 1.2919765394703526
Energy: 1.3247931147021603
Energy: 0.8057544759431512
Energy: 1.236768286580334
Energy: 0.8351223474789835
Energy: 1.3247931147010912
Energy: 1.2044440508873906
Energy: 1.220931416470421
Energy: 1.2665224447214487
Energy: 1.2209314164698866
Energy: 1.2665224447524555
Energy: 1.220931416469352
Energy: 1.2665224447294678
Energy: 1.262116958375651
Energy: 1.6814737007127025
Energy: 1.2620524003748783
Energy: 1.6814737007143064
Energy: 1.2621169583751166
Energy: 1.7276433563729716
Energy: 1.1739422983039765
Energy: 1.312328751571117
Energy: 1.1739422983055803
Energy: 1.3123287515668405
Energy: 1.1739422983055803
Energy: 1.312328751606935
Energy: 1.2475767688792587
Energy: 1.2935364968803649
Energy: 1.247576768876586
Energy: 1.293536496881434
Energy: 1.2475767688771204
Energy: 1.2935364968803649
Energy: 1.3052246714079556
Energy: 1.4336868932486224
Energy: 1.09733393152357
Energy: 1.4336868932491569
Energy: 1.0899208269565437
Energy: 1.4336868932512954
Energy: 1.23035295802464
Energy: 1.0859029357793515
Energy: 1.230352958008602
Energy: 1.085902932039355
Energy: 1.230352957962675
Energy: 1.2119443077188
Energy: 1.2899209074717755
Energy: 1.2920949648224573
Energy: 1.289986425933261
Energy: 1.2920949648219229
Energy: 1.28992090747231
Energy: 1.2920949648197844
Energy: 1.1797869656390456
Energy: 0.849308832559235
Energy: 1.1797869656395803
Energy: 0.8483724658452237
Energy: 1.1797869656369073
Energy: 0.848681823899338
Energy: 1.2727058140766383
Energy: 1.5025193169317819
Energy: 1.2727058140761034
Energy: 1.502519316930713
Energy: 1.2727058140761034
Energy: 1.5025193169285744
Energy: 1.5811191187248852
Energy: 1.2286861649630096
Energy: 1.5811191187243507
Energy: 1.228686164883938
Energy: 1.5811191187259546
Energy: 1.271096646153387
Energy: 1.2526662565241673
Energy: 1.3298695281222492
Energy: 1.2526662565257711
Energy: 1.3298695281222492
Energy: 1.252666256521494
Energy: 1.3298695281222492
Energy: 1.328398613814148
Energy: 1.3060467059663732
Energy: 1.3283986138152168
Energy: 1.3060467059647693
Energy: 1.3283986138146826
Energy: 1.40412293294764
Energy: 1.2875565542721583
Energy: 1.424633904425859
Energy: 1.2875565542721583
Energy: 1.4246339044253244
Energy: 1.287556554272693
Energy: 1.424633904424255
Energy: 1.2223568134637042
Energy: 1.2874650268197663
Energy: 1.2223568134631695
Energy: 1.287465026820301
Energy: 1.2223568134631695
Energy: 1.2874650268197663
Energy: 1.2101270275598794
Energy: 1.5714974395524683
Energy: 1.2101235582022951
Energy: 1.5714974395530033
Energy: 1.2101270275593448
Energy: 1.5714974395546069
Energy: 1.1969472364957976
Energy: 1.3098992134785674
Energy: 1.19725728779419
Energy: 1.3098992134950913
Energy: 1.1969472364947285
Energy: 1.309899213500972
Energy: 1.2769218149220685
Energy: 1.2758496111991784
Energy: 1.2769218149209993
Energy: 1.2758496112002473
Energy: 1.2769218149204649
Energy: 1.2758496111975743
Energy: 1.251531145488178
Energy: 0.880633796071714
Energy: 1.2515311454844358
Energy: 0.89729613104882
Energy: 1.2515311454582405
Energy: 0.8775468595429691
Energy: 1.2299055963205885
Energy: 1.4075353223679645
Energy: 1.229905596321123
Energy: 1.4075353223364233
Energy: 1.2299055963200538
Energy: 1.4075353222760623
Energy: 1.4661751951288735
Energy: 1.3235025408330996
Energy: 1.4661751951288735
Energy: 1.323502540832565
Energy: 1.4661751951288735
Energy: 1.3235025408335857
Energy: 1.45765866485279
Energy: 1.1894422914548912
Energy: 1.4576586648511862
Energy: 1.189442291453822
Energy: 1.4576586648522556
Energy: 1.1894422914629101
Energy: 1.2700894725617917
Energy: 1.4202972371744353
Energy: 1.2700894725644645
Energy: 1.4202972374570917
Energy: 1.2700894725623262
Energy: 1.4202972356108832
Energy: 1.3459351151313772
Energy: 1.3101572310813305
Energy: 1.345935115074224
Energy: 1.3101572310829341
Energy: 1.3459351150928862
Energy: 1.3101572310823995
Energy: 1.3000918344590717
Energy: 1.3072052807031784
Energy: 1.3210933131221987
Energy: 1.3072052807031784
Energy: 1.3000918344596066
Energy: 1.3072052807026437
Energy: 1.4969010828242577
Energy: 1.27064188383215
Energy: 1.4330411315631908
Energy: 1.2706418838316156
Energy: 1.4969010828242577
Energy: 1.2706418838300118
Energy: 1.4271958885179494
Energy: 1.3461333550595267
Energy: 1.2693552875762408
Energy: 1.346133355056319
Energy: 1.4271958885184841
Energy: 1.3461333550579229
Energy: 1.4192417288678867
Energy: 1.2556300297569158
Energy: 1.4192417288684216
Energy: 1.2556300297574505
Energy: 1.419241728866283
Energy: 1.255630029757985
Energy: 1.1481733427037288
Energy: 1.322932153848905
Energy: 1.15739111133971
Energy: 0.9368605959855059
Energy: 1.1481733427031944
Energy: 0.9329427585185291
Energy: 1.229295130389294
Energy: 1.3449647339889008
Energy: 1.227172408300138
Energy: 1.344964733985693
Energy: 1.2292951303898285
Energy: 1.3449647339889008
Energy: 1.2689943908177743
Energy: 1.2900559799674174
Energy: 1.2689943908177743
Energy: 1.2900559730228487
Energy: 1.2689943908177743
Energy: 1.290055969114551
Energy: 1.2644462673551446
Energy: 1.2526388563245958
Energy: 1.2644462673562138
Energy: 1.2526388563261996
Energy: 1.2644462673551446
Energy: 1.2526388563251305

minimum gb energy = 0.8057544759431512 eV
minimum distance =  2.25158713044753 Angstroms
sigma value = 33


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

Energy: 0.018665898726989042
Energy: 0.8848441612599541
Energy: 0.018665898726989042
Energy: 0.8848441612603984
Energy: 0.018665898726989042
Energy: 0.8848441612603984
Energy: 0.01934309743476316
Energy: 0.3173351829199167
Energy: 0.01934309743515799
Energy: 0.3173351829199167
Energy: 0.01934309743604635
Energy: 0.3173351829199167
Energy: 0.9824911381286512
Energy: 0.3171825916278927
Energy: 0.9824911381282071
Energy: 0.31718259163006424
Energy: 2.002319345283779
Energy: 0.31718259162744855
Energy: 0.01934309743476316
Energy: 0.31733518292075574
Energy: 0.01934309743476316
Energy: 0.3173351829203609
Energy: 0.019343097435602166
Energy: 0.31733518292119983

minimum gb energy = 0.018665898726989042 eV
minimum distance =  2.54248269893538 Angstroms
sigma value = 1