Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999177455902
cohesive_energy=3.3532637165796326
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01033924857906416
Energy: 0.5765077381619228
Energy: 0.01033924857906416
Energy: 0.5765077381619228
Energy: 0.01033924857906416
Energy: 0.5765077381617006
Energy: 0.5765077381619228
Energy: 0.6593938484795915
Energy: 0.5765077381619228
Energy: 0.6593938484790917
Energy: 0.5765077381619228
Energy: 0.806778340381846
Energy: 0.01033924857906416
Energy: 0.5765077381621726
Energy: 0.01033924857906416
Energy: 0.5765077381619228
Energy: 0.01033924857906416
Energy: 0.5765077381621726
Energy: 0.5765077381619228
Energy: 0.6593938484790917
Energy: 0.5765077381619228
Energy: 0.6593938484793417
Energy: 0.5765077381621726
Energy: 0.8067783403815962
Energy: 0.01033924857906416
Energy: 0.5765077381619228
Energy: 0.010339248579314017
Energy: 0.5765077381619228
Energy: 0.010339248579314017
Energy: 0.5765077381619228
Energy: 0.5765077381621726
Energy: 0.8067783403815962
Energy: 0.5765077381619228
Energy: 0.806778340381846
Energy: 0.5765077381619228
Energy: 0.806778340381846

minimum gb energy = 0.01033924857906416 eV
minimum distance =  2.52312313206584 Angstroms
sigma value = 1


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

Energy: 0.6913874141709044
Energy: 0.6157562765262544
Energy: 0.691387414170303
Energy: 0.6157562765262544
Energy: 0.6913874141709044
Energy: 0.6157562765262544
Energy: 0.7026691233138459
Energy: 0.5762842158636713
Energy: 0.7026691233138459
Energy: 0.5762842158636713
Energy: 0.7026691233138459
Energy: 0.5762842158642728
Energy: 0.6631321067337832
Energy: 0.6282621444792527
Energy: 0.6532323450668696
Energy: 0.6282621444792527
Energy: 0.6631321067343846
Energy: 0.6282621444798542
Energy: 0.6728780299102383
Energy: 0.6035893247179676
Energy: 0.6728780299102383
Energy: 0.6035893247179676
Energy: 0.6728780299102383
Energy: 0.6035893247179676
Energy: 0.6209550061194314
Energy: 0.6979957150013948
Energy: 0.6209550061194314
Energy: 0.6979957150007934
Energy: 0.6209550061194314
Energy: 0.6979957150013948
Energy: 0.7006145865331984
Energy: 0.6059726955384326
Energy: 0.7006145865331984
Energy: 0.6059726955372297
Energy: 0.7006145865331984
Energy: 0.6059726955378311
Energy: 0.6322098045812654
Energy: 0.662981795596489
Energy: 0.6322098045812654
Energy: 0.662981795596489
Energy: 0.6322098045800625
Energy: 0.662981795596489
Energy: 0.6041596008523793
Energy: 0.6945657643580463
Energy: 0.6041596008523793
Energy: 0.6945657643580463
Energy: 0.6041596008523793
Energy: 0.6945657643580463
Energy: 0.6653183578060051
Energy: 0.6853069435112827
Energy: 0.6653183578060051
Energy: 0.6853069435106812
Energy: 0.6653183578060051
Energy: 0.6853069435106812
Energy: 0.5615373477998218
Energy: 0.68550937119094
Energy: 0.5615373477998218
Energy: 0.68550937119094
Energy: 0.5615373477998218
Energy: 0.6855093711903386
Energy: 0.7486128518488775
Energy: 0.5984770160946191
Energy: 0.7486128518488775
Energy: 0.5984770160946191
Energy: 0.7486128518488775
Energy: 0.5984770160952206
Energy: 0.5326189529802121
Energy: 0.7333709956297446
Energy: 0.5326189529802121
Energy: 0.7333709956297446
Energy: 0.5326189529802121
Energy: 0.7333709956297446
Energy: 0.7068360241886946
Energy: 0.5371229157765575
Energy: 0.7068360241892963
Energy: 0.5371229157771589
Energy: 0.7068360241892963
Energy: 0.5371229157771589
Energy: 0.6047211450860359
Energy: 0.6286520100724102
Energy: 0.6047211450860359
Energy: 0.6286520100730119
Energy: 0.6047211450860359
Energy: 0.6286520100730119
Energy: 0.7134134537105762
Energy: 0.5675339834545162
Energy: 0.7134134537105762
Energy: 0.5675339834539149
Energy: 0.7134134537105762
Energy: 0.5675339834539149
Energy: 0.7310658525587462
Energy: 0.6484406481205554
Energy: 0.7310658525587462
Energy: 0.6484406481211568
Energy: 0.7310658525587462
Energy: 0.6484406481211568
Energy: 0.6545531913576189
Energy: 0.6352581727417058
Energy: 0.6545531913570175
Energy: 0.6352581727417058
Energy: 0.6545531913570175
Energy: 0.6352581727417058
Energy: 0.6575769341016848
Energy: 0.6004701441539071
Energy: 0.6575769341016848
Energy: 0.6004701441545084
Energy: 0.6575769341022862
Energy: 0.6004701441539071
Energy: 0.5668410861573122
Energy: 0.642829767166482
Energy: 0.58016628368974
Energy: 0.6428297671670835
Energy: 0.6056246848557103
Energy: 0.6428297671670835
Energy: 0.6709009845996972
Energy: 0.6060264042627944
Energy: 0.6709009845996972
Energy: 0.606026404262193
Energy: 0.6709009845996972
Energy: 0.6060264042615915
Energy: 0.5727007584190935
Energy: 0.7893822434594372
Energy: 0.5727007584190935
Energy: 0.7893822434594372
Energy: 0.5727007584196949
Energy: 0.7893822434594372
Energy: 0.6661784566446977
Energy: 0.6814989384047228
Energy: 0.6661784566446977
Energy: 0.6814989384053242
Energy: 0.6661784566440961
Energy: 0.6814989384047228
Energy: 0.533725753777908
Energy: 0.6776544330489269
Energy: 0.533725753777908
Energy: 0.677654433049501
Energy: 0.533725753777908
Energy: 0.6776544330489269

minimum gb energy = 0.5326189529802121 eV
minimum distance =  2.51335431871763 Angstroms
sigma value = 33


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

Energy: 0.7896041889045098
Energy: 0.6648765284455209
Energy: 0.7361378045761563
Energy: 0.664876528445863
Energy: 0.7896041889048518
Energy: 0.6648765284455209
Energy: 0.670354226246252
Energy: 0.5908105395039583
Energy: 0.6703542262455678
Energy: 0.5908105395039583
Energy: 0.6703542262459099
Energy: 0.5908105395036162
Energy: 0.5830357291887703
Energy: 0.5994035673449893
Energy: 0.5830357291884283
Energy: 0.5994035673449893
Energy: 0.5830357291884283
Energy: 0.5994035673449893
Energy: 0.6897836087587136
Energy: 0.7152312800228856
Energy: 0.6897836087583715
Energy: 0.7152312800232277
Energy: 0.6897836087587136
Energy: 0.7152312800232277
Energy: 0.6489474708444102
Energy: 0.6360660686393497
Energy: 0.6489474708447522
Energy: 0.6360660686393497
Energy: 0.6489474708444102
Energy: 0.6360660686393497
Energy: 0.5845991172636813
Energy: 0.5688019545402448
Energy: 0.5845991172640235
Energy: 0.5688019545388765
Energy: 0.5845991172640235
Energy: 0.5688019545395606
Energy: 0.675720737132071
Energy: 0.6739726621190976
Energy: 0.6759696499341631
Energy: 0.6739726621190976
Energy: 0.6758509058620653
Energy: 0.6739726621190976
Energy: 0.5374720784889429
Energy: 0.7436336237231472
Energy: 0.5375083313566786
Energy: 0.7436336237234894
Energy: 0.5374720784886008
Energy: 0.7436336237231472
Energy: 0.5387660459245396
Energy: 0.581364054048146
Energy: 0.538766045925908
Energy: 0.581364054048146
Energy: 0.538766045929671
Energy: 0.581364054048146
Energy: 0.573676777904459
Energy: 0.7050305599943991
Energy: 0.5736176505824325
Energy: 0.7050305599943991
Energy: 0.5736767779048012
Energy: 0.7050305599943991
Energy: 0.7278431505505828
Energy: 0.5723263509292745
Energy: 0.7278431505505828
Energy: 0.5723263509296166
Energy: 0.7278431505505828
Energy: 0.5723263509296166
Energy: 0.5807742126651927
Energy: 0.6195323259150721
Energy: 0.5807876522040559
Energy: 0.6195323259147301
Energy: 0.5807742126655349
Energy: 0.6195323259147301
Energy: 0.676759698184804
Energy: 0.555219052861422
Energy: 0.7096562086564183
Energy: 0.5552190528621064
Energy: 0.676759698184804
Energy: 0.5552190528617641
Energy: 0.6714385864312447
Energy: 0.6710103725538302
Energy: 0.7005551701014613
Energy: 0.6710103725538302
Energy: 0.6714385864312447
Energy: 0.6710103725548565
Energy: 0.6704233126948326
Energy: 0.6066321643090815
Energy: 0.6704233126948326
Energy: 0.6066321643090815
Energy: 0.6704233126948326
Energy: 0.6066321643090815
Energy: 0.5834296671101985
Energy: 0.6025369261430888
Energy: 0.5834296671108826
Energy: 0.6025369261430888
Energy: 0.5834296671105406
Energy: 0.6025369261430888
Energy: 0.7366671724738506
Energy: 0.6539872930865804
Energy: 0.7366671724738506
Energy: 0.6539872930865804
Energy: 0.7366671724738506
Energy: 0.6539872930869225
Energy: 0.6474444422889187
Energy: 0.5795142700212594
Energy: 0.6474444422889187
Energy: 0.5795142700216016
Energy: 0.6474444422889187
Energy: 0.5795142700212594
Energy: 0.5874668849213366
Energy: 0.5992098041649544
Energy: 0.5874668849213366
Energy: 0.599209804163928
Energy: 0.5874668849209945
Energy: 0.599209804163928
Energy: 0.6802870668844554
Energy: 0.736326987595485
Energy: 0.6798752814491614
Energy: 0.736326987595827
Energy: 0.6802870667842831
Energy: 0.736326987595485
Energy: 0.5349094739485191
Energy: 0.7353351216333504
Energy: 0.5349211783968213
Energy: 0.7353351216333504
Energy: 0.5349094739485191
Energy: 0.7353351216336925
Energy: 0.6339657526157916
Energy: 0.5828283857296588
Energy: 0.6339657526164757
Energy: 0.5828283857296588
Energy: 0.6339657526161336
Energy: 0.5828283857296588
Energy: 0.5726723732143278
Energy: 0.707663701890474
Energy: 0.5726328590861055
Energy: 0.707663701890474
Energy: 0.5726723732143278
Energy: 0.707663701890474
Energy: 0.7236853157927879
Energy: 0.6405902339568162
Energy: 0.7236853157924458
Energy: 0.6405902339568162
Energy: 0.7236853157927879
Energy: 0.6405902339564741
Energy: 0.5829421004205319
Energy: 0.5847006078331662
Energy: 0.5829759324702894
Energy: 0.5847006078328242
Energy: 0.5829421004205319
Energy: 0.5847006078331662
Energy: 0.7394940916491447
Energy: 0.6785770017673368
Energy: 0.7040177061774318
Energy: 0.6785770017673368
Energy: 0.7394940916494868
Energy: 0.6785770017673368
Energy: 0.7392684077103112
Energy: 0.6880024316728638
Energy: 0.7031712895749205
Energy: 0.6880024316725215
Energy: 0.7392684077106533
Energy: 0.6880024316725215
Energy: 0.5828759379437127
Energy: 0.6000100975708795
Energy: 0.5828759379437127
Energy: 0.6000100975712216
Energy: 0.5828759379437127
Energy: 0.6000100975708795
Energy: 0.705444905304052
Energy: 0.591132344533493
Energy: 0.70544490530371
Energy: 0.591132344533835
Energy: 0.70544490530371
Energy: 0.591132344533493
Energy: 0.5825766546485271
Energy: 0.7302106859440075
Energy: 0.5825766546485271
Energy: 0.7302106859440075
Energy: 0.582576654648185
Energy: 0.7302106859440075
Energy: 0.6571299563822655
Energy: 0.5812902252683548
Energy: 0.6571299563819234
Energy: 0.5812902252683548
Energy: 0.6571299563819234
Energy: 0.5812902252683548
Energy: 0.5535624271692002
Energy: 0.6668667045193979
Energy: 0.5535624271695423
Energy: 0.66686670451974
Energy: 0.5535624271695423
Energy: 0.6668667045193979
Energy: 0.6818415006970099
Energy: 0.736187990618748
Energy: 0.6821561036358682
Energy: 0.736187990618748
Energy: 0.6818408561517225
Energy: 0.7361879906180638
Energy: 0.6092429711815439
Energy: 0.6697214228116534
Energy: 0.609242971181886
Energy: 0.6697214228116534
Energy: 0.609242971181886
Energy: 0.6697214228116534
Energy: 0.5995605349402717
Energy: 0.5804800224875651
Energy: 0.5995605349402717
Energy: 0.5804800224879072
Energy: 0.5995605349399297
Energy: 0.5804800224885915
Energy: 0.7193607854099163
Energy: 0.6827475428331183
Energy: 0.7193607854099163
Energy: 0.6827475428331183
Energy: 0.7193607854099163
Energy: 0.6827475428331183
Energy: 0.5796901009986517
Energy: 0.6514494390640032
Energy: 0.5785090949767295
Energy: 0.6514494390640032
Energy: 0.5796901009983096
Energy: 0.6514494390640032
Energy: 0.5877684206137289
Energy: 0.5885913856749172
Energy: 0.5997282391587142
Energy: 0.5885913856745751
Energy: 0.5877684206137289
Energy: 0.5885913856752593
Energy: 0.6712540849682642
Energy: 0.6779566616219483
Energy: 0.7158253143347113
Energy: 0.6779566616222904
Energy: 0.671254084967238
Energy: 0.6779566616222904
Energy: 0.7453355031043597
Energy: 0.527980913412073
Energy: 0.7453355031040176
Energy: 0.527980913412073
Energy: 0.7453355031040176
Energy: 0.527980913412073
Energy: 0.5807814435548042
Energy: 0.5378011206934987
Energy: 0.5807814435548042
Energy: 0.5378011206938408
Energy: 0.5807814435548042
Energy: 0.5378011206934987

minimum gb energy = 0.527980913412073 eV
minimum distance =  2.61069042235056 Angstroms
sigma value = 51


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

Energy: 0.6510427958283912
Energy: 0.6528790280614627
Energy: 0.6510427958283912
Energy: 0.6528790280614627
Energy: 0.6510427958283912
Energy: 0.6528790280614627
Energy: 0.734478098726827
Energy: 0.6007838639786158
Energy: 0.7344780987260342
Energy: 0.6007838639778232
Energy: 0.7344780987260342
Energy: 0.6007838639778232
Energy: 0.6410942775591791
Energy: 0.6381663214071529
Energy: 0.6410942775591791
Energy: 0.6381663214071529
Energy: 0.6410942775591791
Energy: 0.6381663214071529
Energy: 0.6381324270193715
Energy: 0.5509122142860697
Energy: 0.6381324270193715
Energy: 0.5509122142860697
Energy: 0.6381324270193715
Energy: 0.5509122142860697
Energy: 0.6479616969447033
Energy: 0.6516069551266925
Energy: 0.6479616969454959
Energy: 0.6516069551266925
Energy: 0.6479616969454959
Energy: 0.6516069551266925
Energy: 0.6484832548875912
Energy: 0.6479352287515565
Energy: 0.6484832548875912
Energy: 0.6479352287515565
Energy: 0.6484832548875912
Energy: 0.6479352287515565
Energy: 0.7048456462054605
Energy: 0.6477430370490769
Energy: 0.7048456462054605
Energy: 0.6477430370490769
Energy: 0.7048456462054605
Energy: 0.6477430370490769
Energy: 0.5843622993757888
Energy: 0.6481952140337874
Energy: 0.5843622993749961
Energy: 0.6481952140337874
Energy: 0.5843622993757888
Energy: 0.6481952140345801
Energy: 0.7103361624463107
Energy: 0.5480983210801194
Energy: 0.7103361624463107
Energy: 0.5480983210801194
Energy: 0.7103361624463107
Energy: 0.5480983210801194
Energy: 0.5579754097057501
Energy: 0.7269176507029435
Energy: 0.5579754097057501
Energy: 0.7269176507029435
Energy: 0.5579754097057501
Energy: 0.7269176507029435
Energy: 0.7302729361654042
Energy: 0.5400467056507706
Energy: 0.7302729361654042
Energy: 0.5400467056507706
Energy: 0.7302729361654042
Energy: 0.5400467056515633
Energy: 0.6527141764646455
Energy: 0.654932136062141
Energy: 0.6527141764646455
Energy: 0.654932136062141
Energy: 0.6527141764646455
Energy: 0.654932136062141
Energy: 0.7350642697406345
Energy: 0.5932959248221044
Energy: 0.7350642697406345
Energy: 0.5932959248221044
Energy: 0.7350642697406345
Energy: 0.5932959248221044
Energy: 0.642023971404787
Energy: 0.5947869625146933
Energy: 0.642023971404787
Energy: 0.5947869625146933
Energy: 0.642023971404787
Energy: 0.5947869625146933
Energy: 0.6327488710030846
Energy: 0.6435676431299463
Energy: 0.6327488710046698
Energy: 0.6435676431299463
Energy: 0.632748870993573
Energy: 0.6435676431299463
Energy: 0.6481023727594353
Energy: 0.6481522785421313
Energy: 0.6481023727594353
Energy: 0.6481522785421313
Energy: 0.6481023727594353
Energy: 0.6481522785421313
Energy: 0.6480238541831046
Energy: 0.7058309479743171
Energy: 0.6480238541831046
Energy: 0.7058309479751097
Energy: 0.6480238541831046
Energy: 0.7058309479751097
Energy: 0.6407120132131334
Energy: 0.6315588413381522
Energy: 0.6407120132131334
Energy: 0.6315588413373596
Energy: 0.6407120132131334
Energy: 0.6315588413381522

minimum gb energy = 0.5400467056507706 eV
minimum distance =  2.47671021087531 Angstroms
sigma value = 19


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

Energy: 0.5207227143844156
Energy: 0.524824060117184
Energy: 0.5207227143839455
Energy: 0.5248240601167137
Energy: 0.5207227143848857
Energy: 0.5248240601162435
Energy: 0.646838588563189
Energy: 0.654569365411671
Energy: 0.646838588563189
Energy: 0.654569365411671
Energy: 0.6468385885641292
Energy: 0.6545693654107307
Energy: 0.5029469363407757
Energy: 0.6539906815660622
Energy: 0.5029469363398353
Energy: 0.653990681565592
Energy: 0.5029469363403055
Energy: 0.653990681565592
Energy: 0.5515383287446053
Energy: 0.5054373034743254
Energy: 0.5515383287446053
Energy: 0.5054373034738552
Energy: 0.5515383287450755
Energy: 0.5054373034738552
Energy: 0.52619510963775
Energy: 0.5274455908160586
Energy: 0.52619510963775
Energy: 0.527445590817469
Energy: 0.5261951096372797
Energy: 0.5274455908169988
Energy: 0.5261464708857719
Energy: 0.5271996207707893
Energy: 0.5261464708867123
Energy: 0.5271996207717297
Energy: 0.5261464708867123
Energy: 0.52719962077267
Energy: 0.5514859455291896
Energy: 0.5054123703944942
Energy: 0.5514859455287194
Energy: 0.5054123703949642
Energy: 0.5514859455287194
Energy: 0.5054123703949642
Energy: 0.5029682611408288
Energy: 0.6539109933603668
Energy: 0.5029682611380077
Energy: 0.6539109933598967
Energy: 0.5029682611389481
Energy: 0.6539109933594265
Energy: 0.6468241698379915
Energy: 0.6545914853769138
Energy: 0.6468241698389318
Energy: 0.654591485377384
Energy: 0.6468241698375213
Energy: 0.654591485377384
Energy: 0.5207227143839455
Energy: 0.5248240601162435
Energy: 0.5207227143839455
Energy: 0.5248240601157734
Energy: 0.5207227143844156
Energy: 0.5248240601167137
Energy: 0.6468385885636591
Energy: 0.6545693654107307
Energy: 0.6468385885622485
Energy: 0.654569365411671
Energy: 0.6468385885622485
Energy: 0.6545693654107307
Energy: 0.502946936341716
Energy: 0.6539906815660622
Energy: 0.5029469363398353
Energy: 0.653990681565592
Energy: 0.5029469363393653
Energy: 0.653990681565592
Energy: 0.5515383287446053
Energy: 0.5054373034738552
Energy: 0.551538328744135
Energy: 0.5054373034738552
Energy: 0.5515383287446053
Energy: 0.5054373034738552
Energy: 0.52619510963822
Energy: 0.5274455908165288
Energy: 0.52619510963775
Energy: 0.5274455908179392
Energy: 0.52619510963775
Energy: 0.5274455908179392
Energy: 0.5261464708857719
Energy: 0.5271996207736104
Energy: 0.5261464708867123
Energy: 0.5271996207721998
Energy: 0.5261464708871824
Energy: 0.5271996207717297
Energy: 0.5514859455291896
Energy: 0.5054123703944942
Energy: 0.5514859455287194
Energy: 0.5054123703963748
Energy: 0.5514859455291896
Energy: 0.5054123703954344
Energy: 0.5029682611389481
Energy: 0.6539109933598967
Energy: 0.5029682611403585
Energy: 0.6539109933598967
Energy: 0.5029682611398885
Energy: 0.6539109933594265
Energy: 0.6468241698370512
Energy: 0.654591485377384
Energy: 0.6468241698379915
Energy: 0.6545914853764436
Energy: 0.6468241698389318
Energy: 0.6545914853764436
Energy: 0.5207227143848857
Energy: 0.5248240601167137
Energy: 0.5207227143844156
Energy: 0.5248240601167137
Energy: 0.5207227143848857
Energy: 0.5248240601162435
Energy: 0.6468385885627187
Energy: 0.6545693654107307
Energy: 0.6468385885617783
Energy: 0.6545693654112008
Energy: 0.6468385885641292
Energy: 0.6545693654121412
Energy: 0.5029469363393653
Energy: 0.6539906815679428
Energy: 0.5029469363407757
Energy: 0.6539906815651219
Energy: 0.5029469363398353
Energy: 0.653990681565592
Energy: 0.5515383287450755
Energy: 0.5054373034743254
Energy: 0.5515383287446053
Energy: 0.5054373034738552
Energy: 0.5515383287446053
Energy: 0.5054373034743254
Energy: 0.52619510963775
Energy: 0.5274455908184094
Energy: 0.52619510963822
Energy: 0.5274455908179392
Energy: 0.52619510963822
Energy: 0.5274455908179392
Energy: 0.5261464708867123
Energy: 0.5271996207712595
Energy: 0.5261464708867123
Energy: 0.5271996207712595
Energy: 0.5261464708848316
Energy: 0.5271996207731401
Energy: 0.5514859455291896
Energy: 0.5054123703954344
Energy: 0.5514859455296599
Energy: 0.5054123703963748
Energy: 0.5514859455296599
Energy: 0.5054123703949642
Energy: 0.5029682611398885
Energy: 0.6539109933589563
Energy: 0.5029682611394183
Energy: 0.6539109933589563
Energy: 0.5029682611384779
Energy: 0.6539109933589563
Energy: 0.6468241698379915
Energy: 0.6545914853769138
Energy: 0.6468241698384616
Energy: 0.6545914853778542
Energy: 0.6468241698375213
Energy: 0.6545914853769138
Energy: 0.5207227143834753
Energy: 0.524824060117184
Energy: 0.5207227143848857
Energy: 0.5248240601162435
Energy: 0.5207227143844156
Energy: 0.5248240601162435
Energy: 0.6468385885622485
Energy: 0.6545693654112008
Energy: 0.6468385885627187
Energy: 0.654569365411671
Energy: 0.6468385885636591
Energy: 0.6545693654121412
Energy: 0.5029469363393653
Energy: 0.6539906815651219
Energy: 0.5029469363398353
Energy: 0.653990681565592
Energy: 0.5029469363398353
Energy: 0.6539906815665323

minimum gb energy = 0.5029469363393653 eV
minimum distance =  2.49778629467117 Angstroms
sigma value = 27


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

Energy: 0.5553279460802248
Energy: 0.537791618339771
Energy: 0.5553279460802248
Energy: 0.537791618339771
Energy: 0.5553279460802248
Energy: 0.537791618339771
Energy: 0.7543549786883696
Energy: 0.5454655965724103
Energy: 0.7543549786872181
Energy: 0.5454655965735621
Energy: 0.7543549786883696
Energy: 0.5454655965724103
Energy: 0.5421164793634717
Energy: 0.5938137855648431
Energy: 0.5421164793634717
Energy: 0.5938137855648431
Energy: 0.5421164793634717
Energy: 0.5938137855648431
Energy: 0.6231061295209471
Energy: 0.5296720785064188
Energy: 0.6231061295209471
Energy: 0.5296720785052671
Energy: 0.6231061295209471
Energy: 0.5296720785064188
Energy: 0.6242234603425237
Energy: 0.5269080727501372
Energy: 0.6242234603425237
Energy: 0.5269080727501372
Energy: 0.6242234603425237
Energy: 0.5269080727501372
Energy: 0.6395211353989902
Energy: 0.6719061319416497
Energy: 0.6395211353989902
Energy: 0.6719061319416497
Energy: 0.6395211353989902
Energy: 0.6719061319416497
Energy: 0.625595904190704
Energy: 0.5471996099370937
Energy: 0.6255959041895524
Energy: 0.5471996099370937
Energy: 0.6255959041895524
Energy: 0.5471996099370937
Energy: 0.561310191478448
Energy: 0.540192150705928
Energy: 0.561310191478448
Energy: 0.540192150705928
Energy: 0.561310191478448
Energy: 0.540192150705928
Energy: 0.6366795753327801
Energy: 0.5419041192220385
Energy: 0.6366795753339318
Energy: 0.5419041190861938
Energy: 0.6366795753339318
Energy: 0.5419041190677933
Energy: 0.5514492996701608
Energy: 0.6382760236492415
Energy: 0.5514492996690089
Energy: 0.6382760236480897
Energy: 0.5514492996690089
Energy: 0.6382760236492415
Energy: 0.5551462264404528
Energy: 0.5264532181137037
Energy: 0.5551462264404528
Energy: 0.526453218112552
Energy: 0.660920268195652
Energy: 0.5264532181137037
Energy: 0.623195687628893
Energy: 0.6338250006522345
Energy: 0.623195687628893
Energy: 0.6338250006522345
Energy: 0.623195687628893
Energy: 0.6338250006522345

minimum gb energy = 0.526453218112552 eV
minimum distance =  2.57851357966958 Angstroms
sigma value = 9


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

Energy: 0.5967337513659777
Energy: 0.5118653395063704
Energy: 0.5967337513656541
Energy: 0.5118653395060468
Energy: 0.5967337513656541
Energy: 0.5118653395057232
Energy: 0.6329785574266705
Energy: 0.535287627387641
Energy: 0.6329785574266705
Energy: 0.5536711336056271
Energy: 0.6329785574260233
Energy: 0.5259139598890016
Energy: 0.4956563515961279
Energy: 0.618639241063301
Energy: 0.4956563515964515
Energy: 0.618639241063301
Energy: 0.49565635159677507
Energy: 0.6186392410629776
Energy: 0.5072983613798087
Energy: 0.5083705264403893
Energy: 0.507298361379485
Energy: 0.5083705264400658
Energy: 0.5072983613798087
Energy: 0.5083705264397421
Energy: 0.5240494751905401
Energy: 0.5039083848577803
Energy: 0.5240494751902165
Energy: 0.5039083848574568
Energy: 0.5240494751905401
Energy: 0.5039083848577803
Energy: 0.5659817576977842
Energy: 0.5750642497149067
Energy: 0.5659817576977842
Energy: 0.5986630743232393
Energy: 0.5659817576981079
Energy: 0.5956449594016506
Energy: 0.545113811115176
Energy: 0.5412912974489464
Energy: 0.5451138111161467
Energy: 0.5412912974489464
Energy: 0.5451138111132344
Energy: 0.5412912974489464
Energy: 0.49270752007241786
Energy: 0.548906082035472
Energy: 0.49270752007241786
Energy: 0.548906082035472
Energy: 0.49270752007241786
Energy: 0.548906082035472
Energy: 0.6109669582265864
Energy: 0.5036618352355198
Energy: 0.6109669582239977
Energy: 0.5036618352371378
Energy: 0.6109669582259393
Energy: 0.5036618352358434
Energy: 0.5236154267733723
Energy: 0.6429351797462415
Energy: 0.5236154267740194
Energy: 0.6429351797459179
Energy: 0.5236154267740194
Energy: 0.6429351797462415
Energy: 0.510276509468998
Energy: 0.5048680232247411
Energy: 0.510276509468998
Energy: 0.5048680232247411
Energy: 0.510276509468998
Energy: 0.504868023224094
Energy: 0.5019995623644757
Energy: 0.584157956605659
Energy: 0.5019995623644757
Energy: 0.584157956605659
Energy: 0.5019995623644757
Energy: 0.584157956605659
Energy: 0.6107891575820055
Energy: 0.5797559247408091
Energy: 0.6107891575823291
Energy: 0.5797559247408091
Energy: 0.6107891575820055
Energy: 0.5797559247411327
Energy: 0.596927318188434
Energy: 0.5484183309139569
Energy: 0.5969273181897284
Energy: 0.5484183309142805
Energy: 0.5969273181894048
Energy: 0.5484183309142805
Energy: 0.5053740033363164
Energy: 0.5252086375022267
Energy: 0.5053740033363164
Energy: 0.5252086375022267
Energy: 0.50537400333664
Energy: 0.5252086375022267
Energy: 0.6856508283785508
Energy: 0.6009567172374536
Energy: 0.6856508283785508
Energy: 0.6009567172377772
Energy: 0.6856508283785508
Energy: 0.6009567172374536
Energy: 0.6335823317280418
Energy: 0.5938985594824309
Energy: 0.6335823317280418
Energy: 0.5938985594817837
Energy: 0.6335823317280418
Energy: 0.5938985594821073
Energy: 0.5099678330476405
Energy: 0.5010048723678437
Energy: 0.5099678330476405
Energy: 0.5010048723675201
Energy: 0.5099678330476405
Energy: 0.5010048723675201
Energy: 0.4969497329112668
Energy: 0.6262049514525855
Energy: 0.4969497329112668
Energy: 0.6262049514522618
Energy: 0.4969497329112668
Energy: 0.6262049514525855
Energy: 0.6101551859462429
Energy: 0.5656626096270372
Energy: 0.6101551859452721
Energy: 0.5656626096270372
Energy: 0.6101551859462429
Energy: 0.5656626096273608
Energy: 0.4970511350000585
Energy: 0.6262815755524136
Energy: 0.4970511350000585
Energy: 0.6262815755524136
Energy: 0.4970511350000585
Energy: 0.62628157555209
Energy: 0.5099532065670741
Energy: 0.5010106052392628
Energy: 0.5099532065670741
Energy: 0.5010106052389391
Energy: 0.5099532065673977
Energy: 0.5010106052392628
Energy: 0.6338668056449924
Energy: 0.5939937141643798
Energy: 0.6338668056453161
Energy: 0.5939937141647034
Energy: 0.6338668056449924
Energy: 0.5939937141640562
Energy: 0.6856541463797233
Energy: 0.5783301596603789
Energy: 0.6856541463793998
Energy: 0.5867854167149935
Energy: 0.6856541463790762
Energy: 0.5783301596594081
Energy: 0.5053298771856171
Energy: 0.5252575126742093
Energy: 0.5053298771852934
Energy: 0.5252575126738857
Energy: 0.5053298771856171
Energy: 0.5252575126742093
Energy: 0.5968898258926983
Energy: 0.5483981288707186
Energy: 0.5968898258933455
Energy: 0.5483981288710422
Energy: 0.5968898258923747
Energy: 0.5483981288710422
Energy: 0.6107520461872997
Energy: 0.5797021149587966
Energy: 0.6107520461869761
Energy: 0.5797021149591203
Energy: 0.610752046186329
Energy: 0.5797021149594439
Energy: 0.5019936472082659
Energy: 0.5214329724250001
Energy: 0.5019936472082659
Energy: 0.5301507228495217
Energy: 0.5019936472079423
Energy: 0.5214329724250001
Energy: 0.5104846861836998
Energy: 0.5049289619540088
Energy: 0.5104846861833762
Energy: 0.5049289619536852
Energy: 0.5104846861836998
Energy: 0.5049289619540088
Energy: 0.5236385216389867
Energy: 0.6278329313693027
Energy: 0.5236385216393104
Energy: 0.6278329313693027
Energy: 0.5236385216422226
Energy: 0.6278329313689791
Energy: 0.6109634326056578
Energy: 0.5037711382573401
Energy: 0.6109634326056578
Energy: 0.5037711382573401
Energy: 0.6109634326050106
Energy: 0.5037711382576637
Energy: 0.49276815695386994
Energy: 0.5488215053023994
Energy: 0.49276815695419346
Energy: 0.5488215053023994
Energy: 0.49276815695419346
Energy: 0.5488215053023994
Energy: 0.5448287297958557
Energy: 0.5412646901571044
Energy: 0.544828729800386
Energy: 0.5412646901567809
Energy: 0.5448287297981208
Energy: 0.5412646901564573
Energy: 0.5659318687137269
Energy: 0.5006891933592621
Energy: 0.565931868712109
Energy: 0.5189770250191773
Energy: 0.5659318687117855
Energy: 0.5006891933579971
Energy: 0.5240298863794928
Energy: 0.5431182750528992
Energy: 0.5240298863794928
Energy: 0.5431182750532229
Energy: 0.5240298863798164
Energy: 0.5431182750528992
Energy: 0.507480224091405
Energy: 0.5087201621955844
Energy: 0.507480224091405
Energy: 0.5087201621955844
Energy: 0.507480224091405
Energy: 0.5087201621962315
Energy: 0.4951671788658323
Energy: 0.6185713488008722
Energy: 0.4951671788658323
Energy: 0.6185713488011958
Energy: 0.49516717886615585
Energy: 0.6185713488011958
Energy: 0.6326719665748145
Energy: 0.5542866867764865
Energy: 0.6326719665741674
Energy: 0.5535108320520036
Energy: 0.6326719665735202
Energy: 0.5391291755477352
Energy: 0.5967337513659777
Energy: 0.511865339506694
Energy: 0.5967337513659777
Energy: 0.5118653395057232
Energy: 0.5967337513656541
Energy: 0.5118653395063704
Energy: 0.6329785574266705
Energy: 0.5430695297337338
Energy: 0.6329785574260233
Energy: 0.5790709149092124
Energy: 0.6329785574263469
Energy: 0.525913959888678
Energy: 0.49565635159580435
Energy: 0.6186392410623304
Energy: 0.49565635159580435
Energy: 0.618639241062654
Energy: 0.4956563515964515
Energy: 0.618639241063301
Energy: 0.507298361379485
Energy: 0.5083705264384478
Energy: 0.507298361379485
Energy: 0.5083705264390949
Energy: 0.5072983613791615
Energy: 0.5083705264381243
Energy: 0.5240494751908636
Energy: 0.5039083848574568
Energy: 0.5240494751908636
Energy: 0.5039083848577803
Energy: 0.5240494751908636
Energy: 0.5039083848574568

minimum gb energy = 0.49270752007241786 eV
minimum distance =  2.58860485273356 Angstroms
sigma value = 57


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

Energy: 0.3130178097726199
Energy: 0.3177859531783935
Energy: 0.3130178097726199
Energy: 0.3177859531776569
Energy: 0.3130178097726199
Energy: 0.3177859531783935
Energy: 0.5149634049929573
Energy: 0.31344795844812035
Energy: 0.5149634049936939
Energy: 0.31344795844738377
Energy: 0.5149634049936939
Energy: 0.31344795844812035
Energy: 0.3320617126887075
Energy: 0.48347172167889296
Energy: 0.33206171269018075
Energy: 0.48347172167962954
Energy: 0.33206171269018075
Energy: 0.48347172167889296
Energy: 0.3196720684170726
Energy: 0.3183928082960531
Energy: 0.3196720684170726
Energy: 0.3183928082953165
Energy: 0.3196720684170726
Energy: 0.3183928082953165
Energy: 0.37090036184653796
Energy: 0.36861191291244244
Energy: 0.3709003618480111
Energy: 0.36861191291244244
Energy: 0.3709003618480111
Energy: 0.36861191291170586
Energy: 0.31324576326152015
Energy: 0.33546665512857554
Energy: 0.3132457632607835
Energy: 0.33546665512857554
Energy: 0.31324576326152015
Energy: 0.3354666551278389
Energy: 0.3133828011164024
Energy: 0.3363935835144941
Energy: 0.3133828011164024
Energy: 0.33639358351375753
Energy: 0.3133828011164024
Energy: 0.33639358351375753
Energy: 0.3708774575626442
Energy: 0.3686059341706674
Energy: 0.3708774575619076
Energy: 0.3686059341706674
Energy: 0.3708774575626442
Energy: 0.3686059341706674
Energy: 0.3196727450984687
Energy: 0.31839590511279564
Energy: 0.31967274509920535
Energy: 0.31839590511132243
Energy: 0.3196727450977321
Energy: 0.31839590510911264
Energy: 0.33204920655686115
Energy: 0.4834783300388414
Energy: 0.3320492065561245
Energy: 0.48347833003442175
Energy: 0.33204920655686115
Energy: 0.4834783300366316
Energy: 0.5149015350178479
Energy: 0.3134393233049922
Energy: 0.5149015350178479
Energy: 0.31343932330716856
Energy: 0.5149015350178479
Energy: 0.3134393233049922
Energy: 0.3130178097726199
Energy: 0.3177859531783935
Energy: 0.3130178097726199
Energy: 0.3177859531776569
Energy: 0.3130178097726199
Energy: 0.3177859531776569
Energy: 0.5149634049936939
Energy: 0.31344795844812035
Energy: 0.5149634049936939
Energy: 0.31344795844738377
Energy: 0.5149634049929573
Energy: 0.31344795844812035
Energy: 0.33206171269018075
Energy: 0.48347172167962954
Energy: 0.33206171269018075
Energy: 0.48347172167962954
Energy: 0.33206171269018075
Energy: 0.48347172167962954
Energy: 0.31967206841780915
Energy: 0.3183928082960531
Energy: 0.319672068416336
Energy: 0.3183928082967897
Energy: 0.3196720684170726
Energy: 0.3183928082953165
Energy: 0.37090036184653796
Energy: 0.36861191291244244
Energy: 0.37090036184727454
Energy: 0.36861191291317913
Energy: 0.37090036184727454
Energy: 0.36861191291244244
Energy: 0.3132457632607835
Energy: 0.3354666551293122
Energy: 0.31324576326152015
Energy: 0.33546665512857554
Energy: 0.3132457632622567
Energy: 0.33546665512857554
Energy: 0.31338280111713895
Energy: 0.33639358351523074
Energy: 0.31338280111713895
Energy: 0.33639358351375753
Energy: 0.31338280111713895
Energy: 0.3363935835144941
Energy: 0.3708774575619076
Energy: 0.3686059341706674
Energy: 0.3708774575626442
Energy: 0.3686059341706674
Energy: 0.3708774575626442
Energy: 0.3686059341706674

minimum gb energy = 0.3130178097726199 eV
minimum distance =  2.72126402688669 Angstroms
sigma value = 11


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

Energy: 0.5356027835261705
Energy: 0.5001806189952992
Energy: 0.535602783525631
Energy: 0.5001806189958387
Energy: 0.5356027835261705
Energy: 0.5001806189952992
Energy: 0.5348840083281715
Energy: 0.4892062454474933
Energy: 0.5348840083281715
Energy: 0.4892062454474933
Energy: 0.5348840083281715
Energy: 0.4892062454469537
Energy: 0.5653872600544886
Energy: 0.6830493441134594
Energy: 0.5653872600544886
Energy: 0.6830493441134594
Energy: 0.5653872600550282
Energy: 0.683049344113999
Energy: 0.5890197698481813
Energy: 0.5012725175552308
Energy: 0.5890197698481813
Energy: 0.5012725175552308
Energy: 0.5890197698481813
Energy: 0.5012725175546913
Energy: 0.4901459257352333
Energy: 0.468392602954469
Energy: 0.49014592573469373
Energy: 0.468392602954469
Energy: 0.4901459257352333
Energy: 0.468392602954469
Energy: 0.5095225457807737
Energy: 0.4830805581318103
Energy: 0.5095225457813134
Energy: 0.4830805581318103
Energy: 0.5095225457813134
Energy: 0.4830805581318103
Energy: 0.4789500434589781
Energy: 0.5110006308281714
Energy: 0.5063898360128665
Energy: 0.5110006308281714
Energy: 0.47895004345735936
Energy: 0.5110006308281714
Energy: 0.4909897372112582
Energy: 0.45343018302941357
Energy: 0.4909897372112582
Energy: 0.45343018302941357
Energy: 0.490989737210179
Energy: 0.45343018302995314
Energy: 0.49209833854817475
Energy: 0.4509308983989597
Energy: 0.4920983385476352
Energy: 0.45093089839949924
Energy: 0.4920983385476352
Energy: 0.4509308983989597
Energy: 0.4529248922751167
Energy: 0.5960983291098134
Energy: 0.45292489227457705
Energy: 0.5960983291098134
Energy: 0.45292489227457705
Energy: 0.596098329110353
Energy: 0.548888376695412
Energy: 0.5858112612687655
Energy: 0.548888376695412
Energy: 0.5858112612687655
Energy: 0.5488883766948723
Energy: 0.5858112612687655
Energy: 0.4874502860418133
Energy: 0.47236197460563933
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Energy: 0.47236197460563933
Energy: 0.4874502860418133
Energy: 0.47236197460563933
Energy: 0.5061751504728056
Energy: 0.5275684031530733
Energy: 0.5061751504728056
Energy: 0.5275684031530733
Energy: 0.5061751504728056
Energy: 0.5275684031536129
Energy: 0.5424121819362081
Energy: 0.6832949940807005
Energy: 0.5424121819356684
Energy: 0.6832949940812402
Energy: 0.5424121819356684
Energy: 0.6832949940807005
Energy: 0.5353153180667543
Energy: 0.48803139291568903
Energy: 0.5353153180678335
Energy: 0.48803139291622866
Energy: 0.5353153180672939
Energy: 0.48803139291622866
Energy: 0.5362490352356182
Energy: 0.4981765089608686
Energy: 0.5362490352350785
Energy: 0.4981765089603291
Energy: 0.5362490352350785
Energy: 0.4981765089608686
Energy: 0.4919110341458695
Energy: 0.49480355211221055
Energy: 0.4919110341453299
Energy: 0.49480355211221055
Energy: 0.4919110341458695
Energy: 0.4948035521127501
Energy: 0.6110066621076663
Energy: 0.649730628304763
Energy: 0.6110066621076663
Energy: 0.6497306283042235
Energy: 0.6110066621076663
Energy: 0.649730628304763
Energy: 0.5216670486909517
Energy: 0.5011750122619066
Energy: 0.5216670486898726
Energy: 0.5011750122614161
Energy: 0.5216670486904121
Energy: 0.5011750122624462
Energy: 0.4870157276323817
Energy: 0.46947958994926164
Energy: 0.4870157276323817
Energy: 0.46947958994926164
Energy: 0.48701572763184214
Energy: 0.46947958994980116
Energy: 0.45304753106969936
Energy: 0.4897044247175398
Energy: 0.45304753106915985
Energy: 0.4897044247175398
Energy: 0.45304753106915985
Energy: 0.4897044247175398
Energy: 0.4925717596889819
Energy: 0.5090887883195034
Energy: 0.4925717587629614
Energy: 0.5090887883195034
Energy: 0.49257175939667575
Energy: 0.5090887883195034
Energy: 0.49145128335399135
Energy: 0.500637815974153
Energy: 0.49145128335399135
Energy: 0.500637815974153
Energy: 0.4914512833534518
Energy: 0.500637815974153
Energy: 0.4950056220741649
Energy: 0.4713546838930532
Energy: 0.4950056220747045
Energy: 0.4713546838930532
Energy: 0.4950056220741649
Energy: 0.4713546838930532
Energy: 0.4529779248791043
Energy: 0.6506881176650839
Energy: 0.4529779248785648
Energy: 0.6506881176650839
Energy: 0.4529779248791043
Energy: 0.6506881176613069
Energy: 0.6669539023709198
Energy: 0.5872577844313324
Energy: 0.6669539023709198
Energy: 0.5872577844313324
Energy: 0.6669539023709198
Energy: 0.5872577844313324

minimum gb energy = 0.4509308983989597 eV
minimum distance =  2.60245139800164 Angstroms
sigma value = 41


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

Energy: 0.5897203262669836
Energy: 0.4804150837051401
Energy: 0.5897203262669836
Energy: 0.4804150837051401
Energy: 0.5897203262669836
Energy: 0.4804150837051401
Energy: 0.5667981075153
Energy: 0.5145531376965992
Energy: 0.5667981075144494
Energy: 0.5145531376961737
Energy: 0.5667981075140242
Energy: 0.5145531376965992
Energy: 0.6169799847345393
Energy: 0.7483946024132108
Energy: 0.6169799847345393
Energy: 0.7483946024132108
Energy: 0.6169799847345393
Energy: 0.7483946024132108
Energy: 0.5437972042732615
Energy: 0.4737505187966135
Energy: 0.5437972042736867
Energy: 0.4737505187970387
Energy: 0.5437972042732615
Energy: 0.4737505187966135
Energy: 0.46345690359242186
Energy: 0.5007513648601529
Energy: 0.46345690359242186
Energy: 0.5007513648601529
Energy: 0.46345690359242186
Energy: 0.5007513648601529
Energy: 0.5427710058083649
Energy: 0.5238104139979916
Energy: 0.5427710058092156
Energy: 0.5238104139979916
Energy: 0.5427710058092156
Energy: 0.5238104139979916
Energy: 0.5026958586016775
Energy: 0.6137416537328058
Energy: 0.5026958586016775
Energy: 0.6137416537328058
Energy: 0.5026958586016775
Energy: 0.6137416537323805
Energy: 0.47871147786872115
Energy: 0.4739450939937256
Energy: 0.47871147786872115
Energy: 0.4739450939937256
Energy: 0.47871147786872115
Energy: 0.4739450939937256
Energy: 0.48952657932729016
Energy: 0.5031199684252324
Energy: 0.48952657932729016
Energy: 0.5031199684256576
Energy: 0.48952657932729016
Energy: 0.5031199684252324
Energy: 0.5573426735412346
Energy: 0.6211335593914593
Energy: 0.5573426735408094
Energy: 0.6211335593918845
Energy: 0.5573426735412346
Energy: 0.6211335593914593
Energy: 0.703137266478221
Energy: 0.6214589508734547
Energy: 0.703137266478221
Energy: 0.6214589508734547
Energy: 0.703137266478221
Energy: 0.6214589508734547
Energy: 0.4677575739721493
Energy: 0.4954179336505874
Energy: 0.4677575739721493
Energy: 0.49541793365016207
Energy: 0.4677575739721493
Energy: 0.49541793365016207
Energy: 0.49598551380392636
Energy: 0.47377069222638557
Energy: 0.49598551380435163
Energy: 0.47377069222638557
Energy: 0.49598551380435163
Energy: 0.47377069222638557
Energy: 0.46376427869154
Energy: 0.6876145071409158
Energy: 0.46376427869154
Energy: 0.6876145071409158
Energy: 0.46376427869196524
Energy: 0.6876145071409158
Energy: 0.5887197593466628
Energy: 0.5763463208761312
Energy: 0.5887197593466628
Energy: 0.5763463208761312
Energy: 0.588719759347088
Energy: 0.5763463208765566
Energy: 0.46494764633471614
Energy: 0.5352634773822437
Energy: 0.46494764633471614
Energy: 0.5462098819619154
Energy: 0.46494764633471614
Energy: 0.5180362559827821
Energy: 0.49775811453594354
Energy: 0.47398705533291957
Energy: 0.49775811453551827
Energy: 0.47398705533291957
Energy: 0.49775811453551827
Energy: 0.47398705533291957
Energy: 0.5263761755232489
Energy: 0.6715692032503479
Energy: 0.5263761755228236
Energy: 0.6715692032507731
Energy: 0.5263761755232489
Energy: 0.6715692032503479
Energy: 0.610928267123075
Energy: 0.5146333179367096
Energy: 0.610928267123075
Energy: 0.5146333179367096
Energy: 0.6109282671235002
Energy: 0.5146333179362844
Energy: 0.5921020396857447
Energy: 0.5721995548494505
Energy: 0.5921020396857447
Energy: 0.5128004392940185
Energy: 0.5921020396857447
Energy: 0.5128004392957197
Energy: 0.491437347436089
Energy: 0.527862892105962
Energy: 0.491437347436089
Energy: 0.5278628921055366
Energy: 0.491437347436089
Energy: 0.527862892105962
Energy: 0.55766579283362
Energy: 0.6296225407380723
Energy: 0.55766579283362
Energy: 0.6296225407376471
Energy: 0.5576657928331948
Energy: 0.6296225407367966
Energy: 0.587355354539327
Energy: 0.4722817458417007
Energy: 0.5873553545389018
Energy: 0.4722817458417007
Energy: 0.587355354539327
Energy: 0.4722817458417007
Energy: 0.46484410551092176
Energy: 0.533158942724944
Energy: 0.4648441055117723
Energy: 0.5331589427253692
Energy: 0.4648441055113471
Energy: 0.533158942724944
Energy: 0.463564180204296
Energy: 0.5244999336144757
Energy: 0.46356418020387075
Energy: 0.5244999336140503
Energy: 0.46356418020387075
Energy: 0.5244999336144757
Energy: 0.5023218676197201
Energy: 0.6413453494681322
Energy: 0.5023218676197201
Energy: 0.6413453494681322
Energy: 0.5023218676192948
Energy: 0.6413453494681322
Energy: 0.4798321627370405
Energy: 0.47220769539687824
Energy: 0.4798321627370405
Energy: 0.47220769539687824
Energy: 0.4798321627366152
Energy: 0.47220769539687824
Energy: 0.4893124455139937
Energy: 0.5289081963609021
Energy: 0.4893124455139937
Energy: 0.5289081963609021
Energy: 0.4893124455139937
Energy: 0.5289081963609021
Energy: 0.589813609642185
Energy: 0.5297707191117852
Energy: 0.589813609642185
Energy: 0.5297707191113598
Energy: 0.589813609642185
Energy: 0.5297707191117852
Energy: 0.6623551442937125
Energy: 0.5140611387735432
Energy: 0.6623551442937125
Energy: 0.5140611387748191
Energy: 0.6623551442937125
Energy: 0.5140611387739685
Energy: 0.46769367877108553
Energy: 0.49703999238409075
Energy: 0.46769367877108553
Energy: 0.49703999238451596
Energy: 0.46769367877108553
Energy: 0.49703999238451596
Energy: 0.4992621746986906
Energy: 0.47246249964960324
Energy: 0.4992621746986906
Energy: 0.47246249964960324
Energy: 0.4992621746986906
Energy: 0.47246249964960324
Energy: 0.4636154369374292
Energy: 0.5191490384940839
Energy: 0.46361543693700397
Energy: 0.5191490384940839
Energy: 0.46361543693700397
Energy: 0.5191490384940839

minimum gb energy = 0.46345690359242186 eV
minimum distance =  2.60752886374164 Angstroms
sigma value = 33


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

Energy: 0.5057318192984772
Energy: 0.4811859878800045
Energy: 0.48884770776794134
Energy: 0.4811859878800045
Energy: 0.5057318192984772
Energy: 0.48118598787970607
Energy: 0.725856972242906
Energy: 0.48284739737308463
Energy: 0.7258569722432043
Energy: 0.48284739737308463
Energy: 0.7258569722432043
Energy: 0.48284739737308463
Energy: 0.6333396640848101
Energy: 0.6921886389598528
Energy: 0.6333396640845116
Energy: 0.6921886389595543
Energy: 0.6333396640845116
Energy: 0.692188638959256
Energy: 0.597233061801813
Energy: 0.49017761692649564
Energy: 0.5972330618021117
Energy: 0.49017761692619716
Energy: 0.5972330618024101
Energy: 0.49017761692649564
Energy: 0.4857494125995464
Energy: 0.583222596606069
Energy: 0.48575921856240806
Energy: 0.5832225966057705
Energy: 0.4857494125998449
Energy: 0.583222596606069
Energy: 0.5771181639701858
Energy: 0.52610268656262
Energy: 0.5771181639707829
Energy: 0.5261026865632169
Energy: 0.5771181639704842
Energy: 0.52610268656262
Energy: 0.5415111307290787
Energy: 0.698586921308945
Energy: 0.5415111307290787
Energy: 0.6985869213083481
Energy: 0.5415111307290787
Energy: 0.6985869213086466
Energy: 0.567164342431932
Energy: 0.6501096544145144
Energy: 0.567164342431932
Energy: 0.6501096544139173
Energy: 0.5671643424316335
Energy: 0.6501096544145144
Energy: 0.6137798103345309
Energy: 0.521232041547409
Energy: 0.613778595828706
Energy: 0.521232041547409
Energy: 0.6137798103348294
Energy: 0.521232041547409
Energy: 0.7033832033450783
Energy: 0.49368720209242406
Energy: 0.7033832033450783
Energy: 0.4936872020927226
Energy: 0.7033832033447799
Energy: 0.4936872020927226
Energy: 0.602052347658312
Energy: 0.5920919957932784
Energy: 0.602052347658312
Energy: 0.5920919957932784
Energy: 0.6020523476586104
Energy: 0.5920919957932784
Energy: 0.5609473137202978
Energy: 0.49024836998611226
Energy: 0.5609473137199995
Energy: 0.49024836998611226
Energy: 0.5609473137202978
Energy: 0.49024836998611226
Energy: 0.5128119186898902
Energy: 0.6231834363833566
Energy: 0.5128119186901886
Energy: 0.6231834363833566
Energy: 0.5128119186898902
Energy: 0.6231834363836551
Energy: 0.5934848344419777
Energy: 0.5725386066100033
Energy: 0.5934848344419777
Energy: 0.5725386066100033
Energy: 0.5934848344419777
Energy: 0.572538606610302
Energy: 0.5921280678272741
Energy: 0.5223366397630795
Energy: 0.5921280678266773
Energy: 0.5223366397630795
Energy: 0.5921280678269757
Energy: 0.5223366397630795
Energy: 0.5227371245914123
Energy: 0.5922215183289781
Energy: 0.5227371245917108
Energy: 0.5922215183298735
Energy: 0.5227371245914123
Energy: 0.5922215183292765
Energy: 0.5525886899110094
Energy: 0.48597751359006913
Energy: 0.5525886899110094
Energy: 0.48597751359006913
Energy: 0.5525886899104124
Energy: 0.48597751359006913
Energy: 0.49732390417521877
Energy: 0.6095457902193976
Energy: 0.49771966746988194
Energy: 0.6095457902193976
Energy: 0.4973239041749203
Energy: 0.6095457902193976
Energy: 0.6908134305583704
Energy: 0.6403266595249899
Energy: 0.6908134305583704
Energy: 0.6403266595252883
Energy: 0.6908134305586688
Energy: 0.6403266595252883
Energy: 0.5131082289634588
Energy: 0.5194627969175688
Energy: 0.5131082289631603
Energy: 0.5194627969166735
Energy: 0.5131082289628618
Energy: 0.5194627969172704
Energy: 0.4818109496524215
Energy: 0.48928967106071763
Energy: 0.4818109496524215
Energy: 0.4892896710604192
Energy: 0.48181094965212296
Energy: 0.48928967106071763
Energy: 0.4819263550789735
Energy: 0.6878170820491064
Energy: 0.48185567697689374
Energy: 0.687817082048808
Energy: 0.4819263550789735
Energy: 0.687817082048808
Energy: 0.564024897440001
Energy: 0.5232180330569768
Energy: 0.5640248974397024
Energy: 0.5232180330569768
Energy: 0.564024897439404
Energy: 0.5232180330569768
Energy: 0.4878802585662855
Energy: 0.62621201029418
Energy: 0.487880258565987
Energy: 0.626212010294777
Energy: 0.487880258565987
Energy: 0.6262120102944785
Energy: 0.5274678131799193
Energy: 0.4860081648135935
Energy: 0.5274678131808148
Energy: 0.4860081648135935
Energy: 0.5274678131802178
Energy: 0.4860081648135935
Energy: 0.5258013353232791
Energy: 0.6297541992495205
Energy: 0.5258013353232791
Energy: 0.6297541992492219
Energy: 0.5258013353229808
Energy: 0.6297541992489235
Energy: 0.6114646556712929
Energy: 0.5408508038044444
Energy: 0.6114646556712929
Energy: 0.5408508038044444
Energy: 0.6114646556712929
Energy: 0.5408508038044444
Energy: 0.5080034794408291
Energy: 0.49278574832549454
Energy: 0.49087468712156657
Energy: 0.49278574832549454
Energy: 0.5080034794408291
Energy: 0.49278574832519606
Energy: 0.521081231946279
Energy: 0.5867135446121218
Energy: 0.5210812319459805
Energy: 0.5867135446121218
Energy: 0.521081231946279
Energy: 0.5867135446121218
Energy: 0.5206834433167442
Energy: 0.7024153898459443
Energy: 0.5206834433167442
Energy: 0.7024153898453475
Energy: 0.5206834433164457
Energy: 0.7024153898453475
Energy: 0.5414141409103772
Energy: 0.4870026248151847
Energy: 0.5414141409103772
Energy: 0.4870026248154832
Energy: 0.5414141409103772
Energy: 0.48700262481578166
Energy: 0.4877886885159156
Energy: 0.562681251943034
Energy: 0.4877842629243131
Energy: 0.562681251943034
Energy: 0.4877886885156172
Energy: 0.562681251943034
Energy: 0.5865425327565836
Energy: 0.5279182219088441
Energy: 0.5865425327562851
Energy: 0.5279182219091425
Energy: 0.5865425327562851
Energy: 0.5279182219088441
Energy: 0.5933606828325906
Energy: 0.632949982437017
Energy: 0.593360682832889
Energy: 0.6329499824367184
Energy: 0.5933606828325906
Energy: 0.6329499824367184
Energy: 0.5701390120212813
Energy: 0.6435068355625038
Energy: 0.5701390120212813
Energy: 0.6435068355625038
Energy: 0.5701390120212813
Energy: 0.6435068355625038
Energy: 0.5128017864975207
Energy: 0.5155639794991834
Energy: 0.5130144867379817
Energy: 0.5155639794994819
Energy: 0.5128017864972223
Energy: 0.5155639794991834
Energy: 0.49446760039174276
Energy: 0.5502668064539816
Energy: 0.4944676003920412
Energy: 0.5502668064539816
Energy: 0.49446760039174276
Energy: 0.5502668064539816
Energy: 0.5559056051922764
Energy: 0.48632703588466014
Energy: 0.5559056051916793
Energy: 0.48632703588436166
Energy: 0.5559056051916793
Energy: 0.48632703588466014
Energy: 0.5085467340641195
Energy: 0.6899147488969835
Energy: 0.508568190104589
Energy: 0.6899147488969835
Energy: 0.5085467340641195
Energy: 0.689914748896685
Energy: 0.5189494080506163
Energy: 0.5138139035031444
Energy: 0.518949408050318
Energy: 0.5138139035037415
Energy: 0.5189494080515117
Energy: 0.5138139035031444
Energy: 0.4909331951336953
Energy: 0.48371807358839924
Energy: 0.4909331951336953
Energy: 0.48371807358839924
Energy: 0.4909331951336953
Energy: 0.48371807358839924
Energy: 0.654347482798821
Energy: 0.5245594502999869
Energy: 0.654347482798821
Energy: 0.5245594502996882
Energy: 0.654347482798821
Energy: 0.5245594502996882
Energy: 0.5206443257272892
Energy: 0.6166591723394285
Energy: 0.5206443257275877
Energy: 0.6166591723394285
Energy: 0.5206443257269908
Energy: 0.6166591723394285
Energy: 0.5749860391414571
Energy: 0.48624090980580487
Energy: 0.5749860391414571
Energy: 0.48624090980520795
Energy: 0.5749860391411585
Energy: 0.48624090980580487
Energy: 0.48825198608737785
Energy: 0.626507450431683
Energy: 0.48826416329946637
Energy: 0.6265074504313846
Energy: 0.48825198608737785
Energy: 0.6265074504313846
Energy: 0.5782881969831906
Energy: 0.5373341510072228
Energy: 0.5782881969837875
Energy: 0.5373341510072228
Energy: 0.578288196983489
Energy: 0.5373341510072228
Energy: 0.48161404439534633
Energy: 0.6400860262990694
Energy: 0.48161404439534633
Energy: 0.6400860262981741
Energy: 0.48161404439534633
Energy: 0.6400860262984726

minimum gb energy = 0.48118598787970607 eV
minimum distance =  2.63109342417954 Angstroms
sigma value = 67


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

Energy: 0.3832568178170343
Energy: 0.3738970050299749
Energy: 0.3832568178172383
Energy: 0.3738970050299749
Energy: 0.3832568178170343
Energy: 0.3738970050299749
Energy: 0.3469446001057853
Energy: 0.3372830224670496
Energy: 0.3469446001055813
Energy: 0.33728302246664166
Energy: 0.3469446001055813
Energy: 0.33728302246664166
Energy: 0.5594637116563819
Energy: 0.7322103247648235
Energy: 0.5594637116565859
Energy: 0.7322103247650276
Energy: 0.5898079716904472
Energy: 0.7322103247650276
Energy: 0.34693960030390686
Energy: 0.337259910768232
Energy: 0.34693960030370286
Energy: 0.337259910768436
Energy: 0.34693960030411086
Energy: 0.337259910768232
Energy: 0.3832568178172383
Energy: 0.3738970050303603
Energy: 0.3832568178172383
Energy: 0.3738970050299749
Energy: 0.3832568178170343
Energy: 0.37389700502977097
Energy: 0.3469446001057853
Energy: 0.33728302246684566
Energy: 0.3469446001053773
Energy: 0.3372830224670496
Energy: 0.3469446001053773
Energy: 0.33728302246684566
Energy: 0.47002552278371246
Energy: 0.7322103247648235
Energy: 0.4700255227839164
Energy: 0.7322103247648235
Energy: 0.4700255227839164
Energy: 0.7322103247648235

minimum gb energy = 0.337259910768232 eV
minimum distance =  2.62012644453609 Angstroms
sigma value = 3


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

Energy: 0.6700297473240425
Energy: 0.4467842429180672
Energy: 0.6565756839496153
Energy: 0.44678424291861013
Energy: 0.6700297473240425
Energy: 0.44678424291836333
Energy: 0.5233550255461181
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Energy: 0.5134769557311083
Energy: 0.6648851668685262
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Energy: 0.5174851517227697
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Energy: 0.5166311989479367
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Energy: 0.5242684499591659
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Energy: 0.5242684499594621
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Energy: 0.5851165452083602
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Energy: 0.575614891905322
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Energy: 0.5329420897652702
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Energy: 0.5246610016852484
Energy: 0.4995624358929702
Energy: 0.5246610866250491
Energy: 0.5008835341702792
Energy: 0.5246610016852484
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Energy: 0.546542529080925
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Energy: 0.5440887499272383
Energy: 0.5465425290806782
Energy: 0.5440887499272383
Energy: 0.5158694856982785
Energy: 0.5293473234067684
Energy: 0.5158694856979823
Energy: 0.5293473234073112
Energy: 0.5158694856982785
Energy: 0.5293473234064722
Energy: 0.6904399376833328
Energy: 0.6077183480902465
Energy: 0.6904399376830861
Energy: 0.6077183480899998
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Energy: 0.6077183480902465
Energy: 0.6438018356625014
Energy: 0.5271691652791267
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Energy: 0.5271691652785838
Energy: 0.6438018356630444
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Energy: 0.584574469127429
Energy: 0.5241457674973437
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Energy: 0.6048653427798839
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Energy: 0.6048653427804268
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Energy: 0.60486534278018
Energy: 0.6642592799039632
Energy: 0.5130101486130572
Energy: 0.6642592799037164
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Energy: 0.5130101486133533
Energy: 0.5328450908115206
Energy: 0.5457287149937899
Energy: 0.5328450908120635
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Energy: 0.5328450908115206
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Energy: 0.555904647161433
Energy: 0.6523854728659139
Energy: 0.5558963427575846
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Energy: 0.5015895167679719
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Energy: 0.6505862428796806
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Energy: 0.6505862428785948
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Energy: 0.5154294677124157
Energy: 0.559944524061182
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Energy: 0.559944524061725
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Energy: 0.44587050856127897
Energy: 0.5707983534164507
Energy: 0.44600907074964596
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Energy: 0.5707983534164507
Energy: 0.6412353178911793
Energy: 0.5046861739966331
Energy: 0.6412353178911793
Energy: 0.5046861739963863
Energy: 0.6412353178906363
Energy: 0.5046861739974721
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Energy: 0.5107686590779459
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Energy: 0.5107686590787356
Energy: 0.5457079196291057
Energy: 0.5107686590784889
Energy: 0.5334936427591532
Energy: 0.5239325551654418
Energy: 0.5334936427594494
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Energy: 0.5603234061255722
Energy: 0.515677749702617
Energy: 0.5437012979157947
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Energy: 0.5603234061255722
Energy: 0.515677749702617
Energy: 0.7008216745142276
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Energy: 0.7056297612412167
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Energy: 0.5237083015219023
Energy: 0.5454369475602685
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Energy: 0.5391181309698819
Energy: 0.5454369475602685
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Energy: 0.5284914715019658
Energy: 0.5583418088309537
Energy: 0.5284914715017192
Energy: 0.5583418088320395
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Energy: 0.6534933133388494
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Energy: 0.6534933133385532
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Energy: 0.5927163229603073
Energy: 0.5175349198987456
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Energy: 0.5173145309390605
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Energy: 0.6020809591501872
Energy: 0.4427881875313739
Energy: 0.6020809591518159
Energy: 0.4427881875310778
Energy: 0.602080959150977
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Energy: 0.43918118833139597
Energy: 0.6114627736338116
Energy: 0.4391811883324818
Energy: 0.6114627736346013
Energy: 0.4391811883324818
Energy: 0.6114627736340583
Energy: 0.5445868524694022
Energy: 0.6535542399558864
Energy: 0.5445868524699452
Energy: 0.6535542399564293
Energy: 0.5445868524694022
Energy: 0.6535542399561826
Energy: 0.5280165940457391
Energy: 0.5777165783495943
Energy: 0.5280165941368973
Energy: 0.5777165783539376
Energy: 0.5280165940451961
Energy: 0.5777165783447082
Energy: 0.6380162201390461
Energy: 0.4846704631071664
Energy: 0.638016220140428
Energy: 0.48467046310741313
Energy: 0.638016220139589
Energy: 0.4846704631077092
Energy: 0.45875202916969926
Energy: 0.6056319743069276
Energy: 0.45875202916969926
Energy: 0.6056319743063848
Energy: 0.45875202916969926
Energy: 0.6056319743082603
Energy: 0.552976859070844
Energy: 0.5228538029110856
Energy: 0.5529768590713869
Energy: 0.5228538029113324
Energy: 0.5529768590713869
Energy: 0.5228538029110856
Energy: 0.6452398120605367
Energy: 0.516734694789808
Energy: 0.6452398120608329
Energy: 0.5167346947901043
Energy: 0.6452398120608329
Energy: 0.5167346947895614
Energy: 0.6105187132857554
Energy: 0.43900845252274234
Energy: 0.6105187132857554
Energy: 0.43900845252195264
Energy: 0.6105187132857554
Energy: 0.43900845252274234
Energy: 0.4980647666185488
Energy: 0.5420032611172845
Energy: 0.4980647318339507
Energy: 0.5420032611172845
Energy: 0.4980647666185488
Energy: 0.5420032611175313
Energy: 0.513022586242514
Energy: 0.5427748095105622
Energy: 0.5130225862417243
Energy: 0.5427748095105622
Energy: 0.5130225862422673
Energy: 0.5427748095105622
Energy: 0.5291213931315565
Energy: 0.5194371365233563
Energy: 0.5291213931315565
Energy: 0.5194371365228133
Energy: 0.5291213931315565
Energy: 0.5194371365231095
Energy: 0.539769957562664
Energy: 0.5582665799038216
Energy: 0.5397699575624173
Energy: 0.5582665799040682
Energy: 0.5397699575629602
Energy: 0.5582665799035255
Energy: 0.5197212866768054
Energy: 0.5335366586037615
Energy: 0.519837096073063
Energy: 0.5335366586040083
Energy: 0.5197212866765587
Energy: 0.5335366586032187

minimum gb energy = 0.43900845252195264 eV
minimum distance =  2.52864820320219 Angstroms
sigma value = 81


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

Energy: 0.6693648550910488
Energy: 0.5297414435215682
Energy: 0.6487162954346541
Energy: 0.5297414435215682
Energy: 0.6693648550910488
Energy: 0.5297414435215682
Energy: 0.4845010700351934
Energy: 0.5270572014436817
Energy: 0.4845010700351934
Energy: 0.5270572014440543
Energy: 0.4845010700351934
Energy: 0.5270572014436817
Energy: 0.5236343229690181
Energy: 0.5887246963477177
Energy: 0.5072871386045396
Energy: 0.5887246963477177
Energy: 0.5236343229686456
Energy: 0.5887246963477177
Energy: 0.4358714949564204
Energy: 0.46823729440301587
Energy: 0.4358714949560478
Energy: 0.46823729440301587
Energy: 0.4358714949564204
Energy: 0.46823729440301587
Energy: 0.6114157358847313
Energy: 0.467303115845447
Energy: 0.6114157358851039
Energy: 0.467303115845447
Energy: 0.6114157358851039
Energy: 0.4673031158458195
Energy: 0.5179272483670794
Energy: 0.4531883744673514
Energy: 0.5179272483670794
Energy: 0.4531883744673514
Energy: 0.5179272483670794
Energy: 0.4531883744673514
Energy: 0.5220520044803999
Energy: 0.6291867556187744
Energy: 0.5221044098069362
Energy: 0.6291867556187744
Energy: 0.5220520044803999
Energy: 0.6291867556187744
Energy: 0.5444066696098838
Energy: 0.5823626922387359
Energy: 0.5444087512791279
Energy: 0.5823626922391084
Energy: 0.5444066696098838
Energy: 0.5823626922391084
Energy: 0.5780516657527027
Energy: 0.49059001463585056
Energy: 0.5780516657523301
Energy: 0.4905900146362231
Energy: 0.5780516657527027
Energy: 0.4905900146362231
Energy: 0.5153419844685274
Energy: 0.6052210670266293
Energy: 0.5153419844681548
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Energy: 0.5153419844681548
Energy: 0.6052210670266293
Energy: 0.5104590520466951
Energy: 0.6965336679860467
Energy: 0.5104590520463226
Energy: 0.6965336679860467
Energy: 0.5104590520466951
Energy: 0.6965336679860467
Energy: 0.5053292628797039
Energy: 0.5214480112851928
Energy: 0.5053292628797039
Energy: 0.5214480112844476
Energy: 0.5053292628797039
Energy: 0.5214480112851928
Energy: 0.580588473544167
Energy: 0.5349891022576703
Energy: 0.5805884735445395
Energy: 0.5349891022576703
Energy: 0.580588473544167
Energy: 0.5349891022576703
Energy: 0.4929918283245929
Energy: 0.5522992794771786
Energy: 0.4929918283245929
Energy: 0.5522992794771786
Energy: 0.4929918283245929
Energy: 0.5522992794771786
Energy: 0.5897743011573116
Energy: 0.5292488760447437
Energy: 0.5897743011576841
Energy: 0.5292488760447437
Energy: 0.589774301156939
Energy: 0.529248876044371
Energy: 0.5441295091974664
Energy: 0.4974547286374412
Energy: 0.5441295091970937
Energy: 0.4974547286378138
Energy: 0.5441295091974664
Energy: 0.4974547286374412
Energy: 0.5748915795181475
Energy: 0.6050523282840282
Energy: 0.574422676938694
Energy: 0.6050523282836557
Energy: 0.5748915795185201
Energy: 0.6050523282840282
Energy: 0.5239864951425663
Energy: 0.5577955296365158
Energy: 0.5239981466846726
Energy: 0.557795529638006
Energy: 0.5239864951425663
Energy: 0.5577955296391238
Energy: 0.5884083232909134
Energy: 0.5359431634354928
Energy: 0.5884083232909134
Energy: 0.5359431634354928
Energy: 0.5884083232909134
Energy: 0.5359431634354928
Energy: 0.4668387817796735
Energy: 0.49396789647754047
Energy: 0.46683878178004595
Energy: 0.4939678964767953
Energy: 0.4668387817793009
Energy: 0.49396789647754047
Energy: 0.5541319676777089
Energy: 0.611016958262449
Energy: 0.5541319676773364
Energy: 0.6110169582628214
Energy: 0.5541319676773364
Energy: 0.6110169582628214
Energy: 0.5251570916593309
Energy: 0.5383064657557878
Energy: 0.5044927493678988
Energy: 0.5383064657561604
Energy: 0.5251570916593309
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Energy: 0.7207692544517679
Energy: 0.5980591523599533
Energy: 0.7001233509639371
Energy: 0.5980591523599533
Energy: 0.7207692544521404
Energy: 0.5980591523599533
Energy: 0.5827368393149246
Energy: 0.5435058656960888
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Energy: 0.5827368393149246
Energy: 0.5435058656960888
Energy: 0.4904958290201477
Energy: 0.5776975240314141
Energy: 0.4904958290201477
Energy: 0.5776975240317866
Energy: 0.4904958290201477
Energy: 0.5776975240314141
Energy: 0.6606951860329487
Energy: 0.6480757368171935
Energy: 0.6606951860333213
Energy: 0.6480757368171935
Energy: 0.6606951860333213
Energy: 0.6480757368171935
Energy: 0.5213277074524533
Energy: 0.4358549221642015
Energy: 0.5213277074520807
Energy: 0.43585492216271127
Energy: 0.5213277074520807
Energy: 0.43585492216345645
Energy: 0.5070479089671298
Energy: 0.4534521341102442
Energy: 0.5048802110444958
Energy: 0.4534521341102442
Energy: 0.49644588869671313
Energy: 0.4534521341098716
Energy: 0.5336102405580726
Energy: 0.5843904253082848
Energy: 0.5336061779156553
Energy: 0.5843904253086573
Energy: 0.5336102405577001
Energy: 0.5843904253086573
Energy: 0.5607536343492774
Energy: 0.4350680376506762
Energy: 0.5607536343489048
Energy: 0.4350680376506762
Energy: 0.5607536343489048
Energy: 0.4350680376506762
Energy: 0.46774834967051704
Energy: 0.5836417993240354
Energy: 0.46774834967014445
Energy: 0.5836417993232903
Energy: 0.46774834967051704
Energy: 0.5836417993232903
Energy: 0.5047909344046043
Energy: 0.5447625124559267
Energy: 0.5047909344042318
Energy: 0.5447625124562991
Energy: 0.5047909344042318
Energy: 0.5447625124562991
Energy: 0.5858948215680969
Energy: 0.4486864535233494
Energy: 0.5858948215680969
Energy: 0.4486864535233494
Energy: 0.5858948215680969
Energy: 0.4486864535233494
Energy: 0.693199292229318
Energy: 0.5901344401458593
Energy: 0.6931992922289454
Energy: 0.5901344401454868
Energy: 0.6931992922285728
Energy: 0.5901344401458593
Energy: 0.4816373361532391
Energy: 0.5929743533508871
Energy: 0.48163809671226454
Energy: 0.592974353344181
Energy: 0.4816373361528666
Energy: 0.5929743533728346
Energy: 0.4919286002760718
Energy: 0.467420598011313
Energy: 0.4919286002760718
Energy: 0.467420598011313
Energy: 0.4919286002764443
Energy: 0.467420598011313
Energy: 0.5287690185238267
Energy: 0.551858622005909
Energy: 0.5287690185238267
Energy: 0.5518586220062816
Energy: 0.5287690185241993
Energy: 0.5518586220062816
Energy: 0.694652187197441
Energy: 0.5550244687961401
Energy: 0.6946521871978135
Energy: 0.5550244687957674
Energy: 0.694652187197441
Energy: 0.5550244687961401

minimum gb energy = 0.4350680376506762 eV
minimum distance =  2.5065314361967 Angstroms
sigma value = 43


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

Energy: 0.5998074393105328
Energy: 0.4572967887886764
Energy: 0.5998074393105328
Energy: 0.45729678878913405
Energy: 0.5998074393105328
Energy: 0.4572967887886764
Energy: 0.5763880454842297
Energy: 0.4900192257987106
Energy: 0.5763880454842297
Energy: 0.4900192257987106
Energy: 0.5763880454842297
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Energy: 0.49088946369841263
Energy: 0.6565830549046122
Energy: 0.49088946369841263
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Energy: 0.5027511394938436
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Energy: 0.5430802316496584
Energy: 0.5221784396668716
Energy: 0.5430802316496584
Energy: 0.5221784396673294
Energy: 0.5430802316496584
Energy: 0.5221784396673294
Energy: 0.583611255800893
Energy: 0.5193334787954382
Energy: 0.583611255800893
Energy: 0.5193334787954382
Energy: 0.5836112558004355
Energy: 0.5193334787954382
Energy: 0.5011242286158155
Energy: 0.4795935454063011
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Energy: 0.4795935454063011
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Energy: 0.4795935454063011
Energy: 0.5993229900543536
Energy: 0.5341756064867947
Energy: 0.5993229900543536
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Energy: 0.519365545105767
Energy: 0.4861521153127442
Energy: 0.5193655451053095
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Energy: 0.5193655451053095
Energy: 0.48615211531228664
Energy: 0.567191375028912
Energy: 0.5064357177485358
Energy: 0.567191375028912
Energy: 0.5064357177485358
Energy: 0.567191375028912
Energy: 0.5064357177485358
Energy: 0.5012773837150858
Energy: 0.5614621225926384
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Energy: 0.5614621225926384
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Energy: 0.5614621225926384
Energy: 0.5558133554058755
Energy: 0.5600227536811455
Energy: 0.5558133554054179
Energy: 0.5600227536816033
Energy: 0.5558133554054179
Energy: 0.5600227536816033
Energy: 0.5193764615001265
Energy: 0.5170510646216058
Energy: 0.519376461500584
Energy: 0.5170510646216058
Energy: 0.5193764615001265
Energy: 0.5170510646216058
Energy: 0.5275776035453718
Energy: 0.5642274738572339
Energy: 0.5275776035453718
Energy: 0.5642274738554033
Energy: 0.5275776035453718
Energy: 0.5642274738563187
Energy: 0.4293531261573561
Energy: 0.5803658631472288
Energy: 0.4293531261573561
Energy: 0.5803658631463136
Energy: 0.42935312615689847
Energy: 0.5803658631472288
Energy: 0.5018693831967566
Energy: 0.514238063312664
Energy: 0.5018693831967566
Energy: 0.514238063312664
Energy: 0.5018693831962988
Energy: 0.5142380633131216
Energy: 0.5290704315622088
Energy: 0.5734926838221621
Energy: 0.5290704315622088
Energy: 0.5734926838221621
Energy: 0.5290704315622088
Energy: 0.5734926838226198
Energy: 0.5337647492541494
Energy: 0.5110993938955826
Energy: 0.5337647492541494
Energy: 0.5110993938955826
Energy: 0.5337647492541494
Energy: 0.5110993938955826
Energy: 0.5522776953048731
Energy: 0.5188681006001754
Energy: 0.5522776953044154
Energy: 0.518868100600633
Energy: 0.5522776953044154
Energy: 0.518868100600633
Energy: 0.5510008771941258
Energy: 0.5054247027143205
Energy: 0.5510008771941258
Energy: 0.5054247027143205
Energy: 0.5510008771941258
Energy: 0.5054247027143205
Energy: 0.5339553767977893
Energy: 0.5722533642769606
Energy: 0.5339553767977893
Energy: 0.5722533642769606
Energy: 0.5339553767977893
Energy: 0.5722533642769606
Energy: 0.5284379573014599
Energy: 0.5917126121587282
Energy: 0.5284379573014599
Energy: 0.5917126121587282
Energy: 0.5284379573014599
Energy: 0.5917126121591858
Energy: 0.5510822039778116
Energy: 0.5182065803082027
Energy: 0.5510822039778116
Energy: 0.5182065803086602
Energy: 0.5510822039778116
Energy: 0.5182065803082027
Energy: 0.4297145531105395
Energy: 0.5160103923925456
Energy: 0.4297145531105395
Energy: 0.5160103923925456
Energy: 0.4297145531105395
Energy: 0.5160103923925456
Energy: 0.5396319009720569
Energy: 0.5821397322617556
Energy: 0.5396319009720569
Energy: 0.5821397322617556
Energy: 0.5396319009720569
Energy: 0.5821397322617556
Energy: 0.5192974322473005
Energy: 0.514684245249515
Energy: 0.5192974322473005
Energy: 0.514684245249515
Energy: 0.5192974322473005
Energy: 0.514684245249515
Energy: 0.5721059407762908
Energy: 0.5023813648080326
Energy: 0.5721059407762908
Energy: 0.5023813648084904
Energy: 0.5721059407762908
Energy: 0.5023813648084904
Energy: 0.525462099756039
Energy: 0.5482912326800172
Energy: 0.525462099756039
Energy: 0.5482912326800172
Energy: 0.525462099756039
Energy: 0.5482912326800172
Energy: 0.5937099881353081
Energy: 0.5841036613100591
Energy: 0.5937099881353081
Energy: 0.5841036613105167
Energy: 0.5937099881353081
Energy: 0.5841036613100591
Energy: 0.5194106461663531
Energy: 0.4874771542319795
Energy: 0.5194106461663531
Energy: 0.4874771542319795
Energy: 0.5194106461663531
Energy: 0.4874771542319795
Energy: 0.5858999608603638
Energy: 0.6054020298552487
Energy: 0.5858999608603638
Energy: 0.6054020298552487
Energy: 0.5858999608603638
Energy: 0.6054020298552487
Energy: 0.501783527913359
Energy: 0.47965345566360806
Energy: 0.501783527913359
Energy: 0.47965345566315043
Energy: 0.5017835279138165
Energy: 0.47965345566360806

minimum gb energy = 0.42935312615689847 eV
minimum distance =  2.64927400884265 Angstroms
sigma value = 57


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

Energy: 0.5831466884805837
Energy: 0.4540537617115202
Energy: 0.5831466884805837
Energy: 0.4540537617109276
Energy: 0.5831466884805837
Energy: 0.4540537617109276
Energy: 0.5480207378727218
Energy: 0.4301522319481906
Energy: 0.5480207378727218
Energy: 0.4301522319470055
Energy: 0.5480207378727218
Energy: 0.430152231947598
Energy: 0.5502634646318831
Energy: 0.5782024459917459
Energy: 0.5502634646318831
Energy: 0.5782024459911533
Energy: 0.5502634646318831
Energy: 0.5782024459923384
Energy: 0.635243706290828
Energy: 0.478750794412906
Energy: 0.635243706290828
Energy: 0.478750794412906
Energy: 0.635243706290828
Energy: 0.47875079441231344
Energy: 0.6287243728720322
Energy: 0.5558090815836808
Energy: 0.6287243728720322
Energy: 0.5558090815830884
Energy: 0.6287243728720322
Energy: 0.5558090815830884
Energy: 0.5494538673752274
Energy: 0.5443591597083045
Energy: 0.5494538673746348
Energy: 0.5443591597083045
Energy: 0.5494538673752274
Energy: 0.544359159707712
Energy: 0.5303252518085873
Energy: 0.5262335792128693
Energy: 0.5303252518079947
Energy: 0.5262335792128693
Energy: 0.5303252518085873
Energy: 0.5262335792122768
Energy: 0.5341370813698786
Energy: 0.5033516184005608
Energy: 0.5341370813698786
Energy: 0.5033516184005608
Energy: 0.5341370813698786
Energy: 0.5033516183999682
Energy: 0.5685433962723472
Energy: 0.511783434823269
Energy: 0.5685433962723472
Energy: 0.511783434823269
Energy: 0.5685433962723472
Energy: 0.511783434823269
Energy: 0.43502470257639486
Energy: 0.5053324457711691
Energy: 0.43502470257580234
Energy: 0.49933305138249656
Energy: 0.43502470257639486
Energy: 0.4917107453150441
Energy: 0.5515182372412013
Energy: 0.6161382725135224
Energy: 0.5515182372412013
Energy: 0.6161382725135224
Energy: 0.5515182372412013
Energy: 0.6161382725141149
Energy: 0.5688255321835071
Energy: 0.5686193582222218
Energy: 0.5688255321835071
Energy: 0.5686193582222218
Energy: 0.5688255321835071
Energy: 0.5686193582222218
Energy: 0.4880439745390041
Energy: 0.5119980389275861
Energy: 0.4880439745390041
Energy: 0.5119980389275861
Energy: 0.4880439745390041
Energy: 0.5119980389275861
Energy: 0.5614181702356708
Energy: 0.43429310273725635
Energy: 0.5614181702356708
Energy: 0.4342931027366638
Energy: 0.5614181702356708
Energy: 0.4342931027366638
Energy: 0.5225607494904899
Energy: 0.502239130846357
Energy: 0.5225607494904899
Energy: 0.502239130846357
Energy: 0.5225607494904899
Energy: 0.502239130846357
Energy: 0.5688271285738097
Energy: 0.5713660858146632
Energy: 0.5688271285738097
Energy: 0.5713660858146632
Energy: 0.5688271285738097
Energy: 0.5713660858146632
Energy: 0.43221341112933515
Energy: 0.4909252413166901
Energy: 0.43221341112933515
Energy: 0.4909252413166901
Energy: 0.43221341112933515
Energy: 0.49092524131728255
Energy: 0.5279660282018456
Energy: 0.486353092034244
Energy: 0.5279660282018456
Energy: 0.486353092034244
Energy: 0.5279660282018456
Energy: 0.486353092034244
Energy: 0.43226270674150513
Energy: 0.49082049273308587
Energy: 0.43226270674150513
Energy: 0.49082049273308587
Energy: 0.43226270674150513
Energy: 0.49082049273367845
Energy: 0.56879015019427
Energy: 0.5713561006783623
Energy: 0.56879015019427
Energy: 0.5713561006783623
Energy: 0.56879015019427
Energy: 0.5713561006783623
Energy: 0.5226092731392796
Energy: 0.5021873716138828
Energy: 0.5226092731398722
Energy: 0.5021873716138828
Energy: 0.5226092731392796
Energy: 0.5021873716138828
Energy: 0.5611546821844746
Energy: 0.47863982658347476
Energy: 0.5611546821838821
Energy: 0.47863982658347476
Energy: 0.5611546821838821
Energy: 0.47863982658347476
Energy: 0.4880604691291441
Energy: 0.5119882354760448
Energy: 0.4880604691291441
Energy: 0.5119882354760448
Energy: 0.48806046912855156
Energy: 0.5119882354760448
Energy: 0.5689337039072782
Energy: 0.5685671627376954
Energy: 0.5689337039072782
Energy: 0.5685671627376954
Energy: 0.5689337039072782
Energy: 0.5685671627376954

minimum gb energy = 0.4301522319470055 eV
minimum distance =  2.52255829576779 Angstroms
sigma value = 17


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

Energy: 0.6461380727999303
Energy: 0.48126452994268304
Energy: 0.6461380728007683
Energy: 0.48126452994268304
Energy: 0.6461380727999303
Energy: 0.48126452994268304
Energy: 0.5255847960617742
Energy: 0.5354988026283823
Energy: 0.5255847960617742
Energy: 0.5354988026283823
Energy: 0.5255847960617742
Energy: 0.5354988026283823
Energy: 0.505378502444846
Energy: 0.5023765674125402
Energy: 0.505378502444846
Energy: 0.5023765674125402
Energy: 0.505378502444846
Energy: 0.5023765674125402
Energy: 0.6011199617534411
Energy: 0.5954654165528622
Energy: 0.6011199617534411
Energy: 0.5954654165528622
Energy: 0.6011199617534411
Energy: 0.5954654165528622
Energy: 0.6006164374207166
Energy: 0.584267849520141
Energy: 0.6006164374207166
Energy: 0.584267849520141
Energy: 0.6006164374207166
Energy: 0.584267849520141
Energy: 0.5684604516059143
Energy: 0.5640299261510171
Energy: 0.5684604516059143
Energy: 0.5640299261510171
Energy: 0.5684604516059143
Energy: 0.5640299261510171
Energy: 0.5112968235885439
Energy: 0.5255004426537724
Energy: 0.5112968235893819
Energy: 0.5255004426537724
Energy: 0.5112968235885439
Energy: 0.5255004426537724
Energy: 0.6009793483448246
Energy: 0.591571766719583
Energy: 0.6009793483448246
Energy: 0.591571766719583
Energy: 0.6009793483448246
Energy: 0.591571766719583
Energy: 0.5038590270182522
Energy: 0.543043763235457
Energy: 0.5038590270182522
Energy: 0.543043763235457
Energy: 0.5038590270182522
Energy: 0.543043763235457
Energy: 0.5496658410149143
Energy: 0.5345020843683982
Energy: 0.5496658410149143
Energy: 0.5345020843683982
Energy: 0.5496658410149143
Energy: 0.5345020843683982
Energy: 0.46275178794437744
Energy: 0.507897075285959
Energy: 0.46275178794437744
Energy: 0.507897075285959
Energy: 0.46275178794437744
Energy: 0.507897075285959
Energy: 0.5188853645725567
Energy: 0.5420832755538394
Energy: 0.5188853645717187
Energy: 0.5420832755530014
Energy: 0.5188853645725567
Energy: 0.5420832755538394
Energy: 0.4463046305652448
Energy: 0.5182371759483133
Energy: 0.4463046305652448
Energy: 0.5182371759483133
Energy: 0.4463046305652448
Energy: 0.5182371759483133
Energy: 0.4718865016246827
Energy: 0.5319106457639288
Energy: 0.4718865016246827
Energy: 0.5319106457639288
Energy: 0.4718865016246827
Energy: 0.5319106457639288
Energy: 0.5776752800139845
Energy: 0.5632017546984784
Energy: 0.5776752800148225
Energy: 0.5632017546984784
Energy: 0.5776752800139845
Energy: 0.5632017546984784
Energy: 0.4925298801143581
Energy: 0.5700306772393908
Energy: 0.4925298801143581
Energy: 0.5700306772393908
Energy: 0.4925298801143581
Energy: 0.5700306772385529
Energy: 0.47075080266635966
Energy: 0.5319656878830666
Energy: 0.4707508026655218
Energy: 0.5319656878830666
Energy: 0.47075080266635966
Energy: 0.5319656878830666

minimum gb energy = 0.4463046305652448 eV
minimum distance =  2.6174658601748 Angstroms
sigma value = 17


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

Energy: 0.6356991140812014
Energy: 0.4490546255815762
Energy: 0.6356991140808778
Energy: 0.44905462558125264
Energy: 0.6356991140812014
Energy: 0.44905462558125264
Energy: 0.517177736959972
Energy: 0.49491326841159405
Energy: 0.5171777369596484
Energy: 0.4798272104173468
Energy: 0.5171777369596484
Energy: 0.4949132684112704
Energy: 0.48756320739538644
Energy: 0.4603552869465852
Energy: 0.48756320739506287
Energy: 0.4603552869472323
Energy: 0.48756320739538644
Energy: 0.46035528694690875
Energy: 0.5886099085912888
Energy: 0.48759678769223314
Energy: 0.5886099085912888
Energy: 0.48759631665798614
Energy: 0.5886099085912888
Energy: 0.48759678769223314
Energy: 0.5766104973331098
Energy: 0.49262538875473033
Energy: 0.5766104973331098
Energy: 0.4926253887544068
Energy: 0.5766104973327861
Energy: 0.4926253887544068
Energy: 0.4892544188898874
Energy: 0.44122165943998637
Energy: 0.48925441889021093
Energy: 0.4412216594393392
Energy: 0.4892544188898874
Energy: 0.4412216594380448
Energy: 0.6006285842796528
Energy: 0.5126650217441554
Energy: 0.6006285842796528
Energy: 0.5126650217441554
Energy: 0.6006285842799763
Energy: 0.5126650217441554
Energy: 0.5720964290294472
Energy: 0.553533671497245
Energy: 0.5720964290294472
Energy: 0.553533671497245
Energy: 0.5720964290294472
Energy: 0.5535336714965977
Energy: 0.5172391815713016
Energy: 0.5236724852267031
Energy: 0.5172391815713016
Energy: 0.5236724852250851
Energy: 0.5172391815713016
Energy: 0.5236724852257323
Energy: 0.5116804911379875
Energy: 0.4715534087633922
Energy: 0.511680491137664
Energy: 0.4715534087637157
Energy: 0.511680491137664
Energy: 0.4715534087640393
Energy: 0.5798838182136468
Energy: 0.5358448053005016
Energy: 0.5798838182142939
Energy: 0.535844805300178
Energy: 0.5798838182142939
Energy: 0.5358448053005016
Energy: 0.4911096407466983
Energy: 0.5904485616891554
Energy: 0.49110964074702185
Energy: 0.5904485616891554
Energy: 0.4911096407473455
Energy: 0.5904485616888318
Energy: 0.5027899641972495
Energy: 0.5116093106245199
Energy: 0.502789964196926
Energy: 0.5116093106245199
Energy: 0.5027899641959551
Energy: 0.5116093106245199
Energy: 0.508849481111642
Energy: 0.4944672329671377
Energy: 0.508849481111642
Energy: 0.4944672329674613
Energy: 0.5088494811119656
Energy: 0.4944672329674613
Energy: 0.549013840215579
Energy: 0.5946839470052191
Energy: 0.549013840215579
Energy: 0.5946839470052191
Energy: 0.549013840215579
Energy: 0.5946839470052191
Energy: 0.48005944418718344
Energy: 0.532317092812749
Energy: 0.4800594441868598
Energy: 0.5330426989705768
Energy: 0.48005944418718344
Energy: 0.5123152342620755
Energy: 0.45500996010680195
Energy: 0.47987818082268013
Energy: 0.4550099601071255
Energy: 0.47987818082268013
Energy: 0.45500996010680195
Energy: 0.4798781808223565
Energy: 0.5322844849302029
Energy: 0.5528087018277934
Energy: 0.5322844849302029
Energy: 0.5528087018274698
Energy: 0.5322844849305265
Energy: 0.5528087018274698
Energy: 0.513302874278062
Energy: 0.5833981950500897
Energy: 0.5133028742783856
Energy: 0.5833981950504133
Energy: 0.5133028742787092
Energy: 0.5833981950504133
Energy: 0.45492693753781455
Energy: 0.4636964170518977
Energy: 0.45492693753813807
Energy: 0.46369641705222125
Energy: 0.45492693753781455
Energy: 0.4636964170518977
Energy: 0.513293216878327
Energy: 0.5836318232338562
Energy: 0.513293216878327
Energy: 0.5836318232341798
Energy: 0.513293216878327
Energy: 0.5836318232341798
Energy: 0.5324816424655134
Energy: 0.5528204224086284
Energy: 0.5324816424658371
Energy: 0.5528204224086284
Energy: 0.5324816424655134
Energy: 0.5528204224083048
Energy: 0.4549945795504186
Energy: 0.47977298591901046
Energy: 0.45499457955171296
Energy: 0.47977298591901046
Energy: 0.4549945795507422
Energy: 0.4797729859186869
Energy: 0.4798645734181075
Energy: 0.550533628248291
Energy: 0.4798645734177839
Energy: 0.5505336282486146
Energy: 0.4798645734177839
Energy: 0.550533628248291
Energy: 0.5490244362484448
Energy: 0.5946285633818563
Energy: 0.5490244362487684
Energy: 0.5946285633818563
Energy: 0.5490244362484448
Energy: 0.5946285633815327
Energy: 0.5089963763945611
Energy: 0.4943142843511578
Energy: 0.5089963763945611
Energy: 0.4943142843514814
Energy: 0.5089963763945611
Energy: 0.4943142843511578
Energy: 0.5026212967623384
Energy: 0.5114081700101311
Energy: 0.5026212967616912
Energy: 0.5114081700107783
Energy: 0.5026212967626619
Energy: 0.5114081700101311
Energy: 0.4912712500842933
Energy: 0.5904007531440592
Energy: 0.4912712500842933
Energy: 0.5904007531440592
Energy: 0.49127125008396977
Energy: 0.5904007531443828
Energy: 0.5799188225114964
Energy: 0.5357862531388591
Energy: 0.5799188225111729
Energy: 0.5357862531395062
Energy: 0.5799188225111729
Energy: 0.5357862531391827
Energy: 0.5117572724654001
Energy: 0.5067318472158393
Energy: 0.5117572724654001
Energy: 0.5067318472161628
Energy: 0.5117572724650766
Energy: 0.5067318472158393
Energy: 0.5172800642379985
Energy: 0.5236969787547368
Energy: 0.5172800642376749
Energy: 0.5236969787544132
Energy: 0.5172800642376749
Energy: 0.523696978755384
Energy: 0.572128235658355
Energy: 0.5535194356699863
Energy: 0.5721282356580314
Energy: 0.5535194356699863
Energy: 0.5721282356580314
Energy: 0.5535194356703098
Energy: 0.600692128056056
Energy: 0.5126605663292577
Energy: 0.6006921280557324
Energy: 0.5126605663292577
Energy: 0.6006921280557324
Energy: 0.5126605663292577
Energy: 0.4891888987907097
Energy: 0.4487670531871046
Energy: 0.4891888987907097
Energy: 0.44876705318742816
Energy: 0.4891888987907097
Energy: 0.4487670531871046
Energy: 0.5769228040304506
Energy: 0.4925550708234298
Energy: 0.5769228040304506
Energy: 0.4925550708221355
Energy: 0.5769228040304506
Energy: 0.4925550708227827
Energy: 0.5886384020898384
Energy: 0.48064934225948547
Energy: 0.5886384020895149
Energy: 0.48064934225916184
Energy: 0.5886384020898384
Energy: 0.48064934225916184
Energy: 0.48749598576354314
Energy: 0.4609633233448345
Energy: 0.4874959857632195
Energy: 0.4609633233445109
Energy: 0.48749598576354314
Energy: 0.4609633233448345
Energy: 0.5172104168267331
Energy: 0.4997097104820922
Energy: 0.5172104168267331
Energy: 0.4997097104820922
Energy: 0.5172104168267331
Energy: 0.4997097104817686
Energy: 0.6356991140812014
Energy: 0.4490546255815762
Energy: 0.6356991140808778
Energy: 0.4490546255815762
Energy: 0.6356991140812014
Energy: 0.4490546255815762
Energy: 0.5171777369596484
Energy: 0.4949132684109469
Energy: 0.5171777369596484
Energy: 0.4949132684112704
Energy: 0.5171777369596484
Energy: 0.4949132684112704
Energy: 0.48756320739538644
Energy: 0.4603552869462616
Energy: 0.48756320739538644
Energy: 0.4603552869465852
Energy: 0.48756320739538644
Energy: 0.46035528694690875
Energy: 0.5886099085912888
Energy: 0.4781395137249102
Energy: 0.5886099085912888
Energy: 0.4781395137249102
Energy: 0.5886099085912888
Energy: 0.4781395137249102
Energy: 0.5766104973327861
Energy: 0.49262538875473033
Energy: 0.5766104973331098
Energy: 0.4926253887544068
Energy: 0.5766104973327861
Energy: 0.49262538875473033

minimum gb energy = 0.4412216594380448 eV
minimum distance =  2.59028610066879 Angstroms
sigma value = 57


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

Energy: 0.6148623853652407
Energy: 0.4218969853455176
Energy: 0.6148623853652407
Energy: 0.4218969853455176
Energy: 0.6148623853647138
Energy: 0.4218969853455176
Energy: 0.4791847636369644
Energy: 0.45297203207855524
Energy: 0.4791847636369644
Energy: 0.4529720320775015
Energy: 0.4791847636369644
Energy: 0.45297203207855524
Energy: 0.4615227450471685
Energy: 0.4775905670028171
Energy: 0.4615227450471685
Energy: 0.47759056700334396
Energy: 0.4615227450476953
Energy: 0.47759056700334396
Energy: 0.5698527628351667
Energy: 0.468364721370047
Energy: 0.5698527628351667
Energy: 0.4683647213705739
Energy: 0.5698527628351667
Energy: 0.4683647213705739
Energy: 0.5295558771726817
Energy: 0.4130921566754227
Energy: 0.5295558771732085
Energy: 0.4130921566754227
Energy: 0.5295558771726817
Energy: 0.4130921566754227
Energy: 0.4633407631481683
Energy: 0.4826328463607323
Energy: 0.4633407631481683
Energy: 0.4826328463612592
Energy: 0.4633407631481683
Energy: 0.4826328463607323
Energy: 0.5417442943971621
Energy: 0.4853216970756783
Energy: 0.5417442943971621
Energy: 0.4853216970762052
Energy: 0.5417442943971621
Energy: 0.4853216970762052
Energy: 0.5261836259755447
Energy: 0.5307975345709374
Energy: 0.5261836259755447
Energy: 0.5307975345704106
Energy: 0.5261836259755447
Energy: 0.5307975345709374
Energy: 0.462984805467601
Energy: 0.48148808693340517
Energy: 0.462984805467601
Energy: 0.48148808693340517
Energy: 0.462984805468128
Energy: 0.48148808693340517
Energy: 0.4805616717637881
Energy: 0.46799096941845597
Energy: 0.4805616717637881
Energy: 0.467990969417929
Energy: 0.48056167176431497
Energy: 0.467990969417929
Energy: 0.5391195878374295
Energy: 0.5327848330275968
Energy: 0.5391195878374295
Energy: 0.5327848330281237
Energy: 0.5391195878374295
Energy: 0.5327848330275968
Energy: 0.44542448922528194
Energy: 0.5369721268946348
Energy: 0.4454244892258088
Energy: 0.5369721268946348
Energy: 0.44542448922528194
Energy: 0.536972126893581
Energy: 0.48862668802018044
Energy: 0.484870822579487
Energy: 0.48862668802018044
Energy: 0.48487082257896
Energy: 0.48862668802070736
Energy: 0.484870822579487
Energy: 0.48103493282617305
Energy: 0.4887530107793577
Energy: 0.4810349328251193
Energy: 0.4887530107804115
Energy: 0.48103493282722676
Energy: 0.48875301077988453
Energy: 0.4597372337727588
Energy: 0.580070086874789
Energy: 0.4597372337727588
Energy: 0.580070086874262
Energy: 0.4597372337727588
Energy: 0.580070086874262
Energy: 0.46844794127017947
Energy: 0.4817486861240245
Energy: 0.46844794126965256
Energy: 0.48174868612349764
Energy: 0.4684479412691257
Energy: 0.48174868612349764
Energy: 0.46663168605322364
Energy: 0.4679413994076076
Energy: 0.46663168605322364
Energy: 0.4679413994070806
Energy: 0.46663168605322364
Energy: 0.4679413994070806
Energy: 0.5090394320573565
Energy: 0.5754784734027988
Energy: 0.5090394320573565
Energy: 0.5754784734027988
Energy: 0.5090394320573565
Energy: 0.5754784734027988
Energy: 0.4477522245712236
Energy: 0.4963612612412999
Energy: 0.44775222457175046
Energy: 0.4963612612412999
Energy: 0.4477522245712236
Energy: 0.4963612612412999
Energy: 0.46217409312965163
Energy: 0.4619758761550485
Energy: 0.46217409313017854
Energy: 0.4619758761550485
Energy: 0.46217409312965163
Energy: 0.4619758761550485
Energy: 0.5039237484117399
Energy: 0.5387393087740999
Energy: 0.5039237484117399
Energy: 0.5387393087740999
Energy: 0.5039237484117399
Energy: 0.5387393087740999
Energy: 0.44577787717437817
Energy: 0.5472676079051914
Energy: 0.44577787717385126
Energy: 0.5472676079057182
Energy: 0.44577787717437817
Energy: 0.5472676079057182
Energy: 0.42813936154283727
Energy: 0.4459346645429523
Energy: 0.42813936154125665
Energy: 0.4459346645429523
Energy: 0.42813936154283727
Energy: 0.4459346645424254
Energy: 0.47799928542612474
Energy: 0.5877278305645715
Energy: 0.47799928542612474
Energy: 0.5877278305650983
Energy: 0.47799928542612474
Energy: 0.5877278305650983
Energy: 0.4999587081348752
Energy: 0.5179607969120722
Energy: 0.49995870813540205
Energy: 0.5179607969115453
Energy: 0.49995870813540205
Energy: 0.5179607969115453
Energy: 0.4208612564708274
Energy: 0.44324815356442354
Energy: 0.4208612564708274
Energy: 0.44324815356442354
Energy: 0.4208612564708274
Energy: 0.44324815356442354
Energy: 0.44431691040664817
Energy: 0.4931965478326368
Energy: 0.4443169104061213
Energy: 0.4931965478326368
Energy: 0.4443169104061213
Energy: 0.4931965478326368

minimum gb energy = 0.4130921566754227 eV
minimum distance =  2.54421113660908 Angstroms
sigma value = 43


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

Energy: 0.5730048459802781
Energy: 0.3816311865466219
Energy: 0.573004845980662
Energy: 0.3816311865466219
Energy: 0.573004845980662
Energy: 0.3816311865466219
Energy: 0.4244808497333515
Energy: 0.43123382368242996
Energy: 0.42448084973373534
Energy: 0.431233823682046
Energy: 0.4244808497333515
Energy: 0.43123382368242996
Energy: 0.42133670715188853
Energy: 0.43202675349501773
Energy: 0.42133670715188853
Energy: 0.4320267534954016
Energy: 0.42133670715188853
Energy: 0.4320267534954016
Energy: 0.5358521992710908
Energy: 0.4106482833508766
Energy: 0.5358521992710908
Energy: 0.4106482833512606
Energy: 0.5358521992710908
Energy: 0.4106482833512606
Energy: 0.4614437963337416
Energy: 0.4194963540544549
Energy: 0.46144379633335775
Energy: 0.4194963540544549
Energy: 0.46144379633335775
Energy: 0.4194963540544549
Energy: 0.40470592039185155
Energy: 0.41996062819177743
Energy: 0.40470592039185155
Energy: 0.4199606281910097
Energy: 0.40470592039185155
Energy: 0.4199606281913935
Energy: 0.5089129449774594
Energy: 0.434154733150103
Energy: 0.5089129449774594
Energy: 0.434154733150103
Energy: 0.5089129449774594
Energy: 0.43415473314971903
Energy: 0.496511245247914
Energy: 0.4607031417136777
Energy: 0.49651124524753004
Energy: 0.4607031417136777
Energy: 0.496511245247914
Energy: 0.4607031417136777
Energy: 0.389350373799502
Energy: 0.41875518634807
Energy: 0.389350373799502
Energy: 0.4187551863476861
Energy: 0.3893503737991181
Energy: 0.4187551863476861
Energy: 0.5019942872479122
Energy: 0.40273631135314886
Energy: 0.5019942872475283
Energy: 0.40273631135314886
Energy: 0.5019942872475283
Energy: 0.40273631135314886
Energy: 0.4630145429903262
Energy: 0.45377132079365345
Energy: 0.4630145429903262
Energy: 0.45377132079365345
Energy: 0.4630145429903262
Energy: 0.4537713207932696
Energy: 0.39258611207313604
Energy: 0.41788312578350323
Energy: 0.3925861120727521
Energy: 0.41788312578350323
Energy: 0.39258611207313604
Energy: 0.41788312578350323
Energy: 0.42068172608910465
Energy: 0.3917395668748334
Energy: 0.4206817260921758
Energy: 0.3917395668748334
Energy: 0.4206817260917919
Energy: 0.3917395668748334
Energy: 0.4722100674065178
Energy: 0.4776670924750278
Energy: 0.4722100674065178
Energy: 0.4776670924754117
Energy: 0.4722100674065178
Energy: 0.4776670924754117
Energy: 0.42154636180485333
Energy: 0.4900105522016431
Energy: 0.42154636180523714
Energy: 0.490010552202027
Energy: 0.42154636180485333
Energy: 0.4900105522016431
Energy: 0.4277284711934764
Energy: 0.40110578138731895
Energy: 0.4277284711934764
Energy: 0.4011057813877028
Energy: 0.4277284711938603
Energy: 0.40110578138731895
Energy: 0.46963740938784676
Energy: 0.476524367167297
Energy: 0.46963740938784676
Energy: 0.4765243671676808
Energy: 0.4696374093882306
Energy: 0.476524367167297
Energy: 0.3898999199334104
Energy: 0.5000217791365776
Energy: 0.3898999199334104
Energy: 0.5000217791358099
Energy: 0.38989991993379436
Energy: 0.5000217791361938
Energy: 0.41630769081485003
Energy: 0.42528322960889525
Energy: 0.41630769081485003
Energy: 0.42528322960889525
Energy: 0.41630769081523394
Energy: 0.4252832296092791
Energy: 0.48044011015575633
Energy: 0.46931743425701766
Energy: 0.4804401101553724
Energy: 0.46931743425701766
Energy: 0.48044011015575633
Energy: 0.46931743425701766
Energy: 0.40540409602227406
Energy: 0.5246478003703878
Energy: 0.40540409602227406
Energy: 0.5246478003700039
Energy: 0.4054040960218902
Energy: 0.5246478003703878
Energy: 0.43564666787677897
Energy: 0.426382806421545
Energy: 0.43564666787677897
Energy: 0.426382806421929
Energy: 0.43564666787639506
Energy: 0.4263828064223128
Energy: 0.43311258223307564
Energy: 0.41455867948886677
Energy: 0.43311258223345955
Energy: 0.41455867948886677
Energy: 0.43311258223307564
Energy: 0.41455867948886677
Energy: 0.440864439759157
Energy: 0.5659000445199812
Energy: 0.440864439759157
Energy: 0.5659000445199812
Energy: 0.440864439759157
Energy: 0.5659000445203651
Energy: 0.42128228379635974
Energy: 0.4330436114707705
Energy: 0.42128228379635974
Energy: 0.4330436114707705
Energy: 0.42128228379635974
Energy: 0.4330436114707705
Energy: 0.4193384659234749
Energy: 0.40847151452268987
Energy: 0.4193384659234749
Energy: 0.4084715145230737
Energy: 0.4193384659234749
Energy: 0.40847151452268987
Energy: 0.4053724888006654
Energy: 0.5305598536500489
Energy: 0.4053724888014332
Energy: 0.5305598536500489
Energy: 0.4015877659050028
Energy: 0.5305598536500489
Energy: 0.37029722006107807
Energy: 0.462249543534005
Energy: 0.37029722006107807
Energy: 0.462249543534005
Energy: 0.37029722006107807
Energy: 0.46224954353438896
Energy: 0.41352707113682297
Energy: 0.3869188633614297
Energy: 0.4135270711375908
Energy: 0.3869188633610458
Energy: 0.41352707113720694
Energy: 0.3869188633610458
Energy: 0.40083212638553967
Energy: 0.5021080054380415
Energy: 0.4008321263851557
Energy: 0.5021080054376574
Energy: 0.40083212638553967
Energy: 0.5021080054376574
Energy: 0.3745536084788766
Energy: 0.5002710248428517
Energy: 0.3745536084784926
Energy: 0.5002710248432356
Energy: 0.412611614612193
Energy: 0.5002710248432356
Energy: 0.4166577608598103
Energy: 0.37510130597345626
Energy: 0.4166577608598103
Energy: 0.37510130597345626
Energy: 0.4166577608598103
Energy: 0.37510130597345626
Energy: 0.3899559009916178
Energy: 0.49954722615193464
Energy: 0.3899559009916178
Energy: 0.49954722615193464
Energy: 0.3899559009916178
Energy: 0.49954722615193464
Energy: 0.4573085605335042
Energy: 0.5106578732088156
Energy: 0.4573085605335042
Energy: 0.5106578732088156
Energy: 0.4573085605335042
Energy: 0.5106578732088156
Energy: 0.42342541432278624
Energy: 0.4080240919795236
Energy: 0.42342541432278624
Energy: 0.4080240919795236
Energy: 0.42342541432278624
Energy: 0.4080240919795236
Energy: 0.36616341317875656
Energy: 0.449988223881612
Energy: 0.3661634131791405
Energy: 0.449988223881612
Energy: 0.3661634131791405
Energy: 0.449988223881612

minimum gb energy = 0.36616341317875656 eV
minimum distance =  2.42154250550795 Angstroms
sigma value = 81


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

Energy: 0.08457891021294787
Energy: 0.10610237205951581
Energy: 0.08457891021294787
Energy: 0.10610237205951581
Energy: 0.08457891021294787
Energy: 0.10610237205951581
Energy: 0.34471002103414355
Energy: 0.08579899868126015
Energy: 0.34471002103428783
Energy: 0.08579899871171418
Energy: 0.34471002103428783
Energy: 0.08579899870071866
Energy: 0.34472682190870824
Energy: 0.08512383145491427
Energy: 0.34472682190870824
Energy: 0.08512383145787954
Energy: 0.34472682190870824
Energy: 0.08512383145406477
Energy: 0.08457891021294787
Energy: 0.10610237205951581
Energy: 0.08457891021294787
Energy: 0.10610237205951581
Energy: 0.08457891021294787
Energy: 0.10610237205937155
Energy: 0.34471002103399934
Energy: 0.08579899864078835
Energy: 0.34471002103414355
Energy: 0.08579899862584986
Energy: 0.34471002103428783
Energy: 0.08579899865010088
Energy: 0.34472682190870824
Energy: 0.0851238315166718
Energy: 0.344726821908564
Energy: 0.0851238315135623
Energy: 0.34472682190870824
Energy: 0.08512383151582231
Energy: 0.08457891021294787
Energy: 0.10610237205937155
Energy: 0.08457891021294787
Energy: 0.10610237205966006
Energy: 0.08457891021294787
Energy: 0.10610237205937155
Energy: 0.34471002103399934
Energy: 0.08579899863134763
Energy: 0.34471002103428783
Energy: 0.08579899864910712
Energy: 0.34471002103399934
Energy: 0.08579899851490108
Energy: 0.34472682190870824
Energy: 0.08512383151764955
Energy: 0.344726821908564
Energy: 0.08512383152103155
Energy: 0.344726821908564
Energy: 0.08512383152752306
Energy: 0.08457891021294787
Energy: 0.10610237205951581
Energy: 0.08457891021294787
Energy: 0.10610237205951581
Energy: 0.08457891021294787
Energy: 0.10610237205966006

minimum gb energy = 0.08457891021294787 eV
minimum distance =  2.83450849735825 Angstroms
sigma value = 3


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

Energy: 0.43997199495041434
Energy: 0.44657440956584404
Energy: 0.43997199495041434
Energy: 0.44657440956584404
Energy: 0.43997199495041434
Energy: 0.44657440956584404
Energy: 0.39820318265617005
Energy: 0.4169016298929529
Energy: 0.39820318265659216
Energy: 0.4169016298929529
Energy: 0.39820318265659216
Energy: 0.4169016298929529
Energy: 0.46328032423529053
Energy: 0.4178867744695503
Energy: 0.4632803242348685
Energy: 0.4178867744695503
Energy: 0.4632803242348685
Energy: 0.4178867744695503
Energy: 0.4618239199242145
Energy: 0.4103355648261544
Energy: 0.4618239199242145
Energy: 0.4103355648261544
Energy: 0.4618239199242145
Energy: 0.4103355648261544
Energy: 0.4084786994151173
Energy: 0.4385476040038738
Energy: 0.4084786994151173
Energy: 0.4385476040034516
Energy: 0.4084786994151173
Energy: 0.4385476040038738
Energy: 0.4055939065615286
Energy: 0.4140853531091664
Energy: 0.4055939065615286
Energy: 0.4140853531091664
Energy: 0.4055939065615286
Energy: 0.4140853531095885
Energy: 0.4403423340383191
Energy: 0.4254996062379572
Energy: 0.4403423340383191
Energy: 0.4254996062379572
Energy: 0.4403423340383191
Energy: 0.4254996062379572
Energy: 0.4175784633414715
Energy: 0.421701229710188
Energy: 0.4175784633414715
Energy: 0.421701229710188
Energy: 0.4175784633414715
Energy: 0.421701229710188
Energy: 0.4083340310501345
Energy: 0.4007738494729707
Energy: 0.4083340310501345
Energy: 0.4007738494729707
Energy: 0.4083340310501345
Energy: 0.4007738494729707
Energy: 0.41269310579518426
Energy: 0.40130914911976884
Energy: 0.4126931057956063
Energy: 0.40130914911976884
Energy: 0.4126931057956063
Energy: 0.40130914911976884
Energy: 0.4130547596392041
Energy: 0.42928273187739313
Energy: 0.4130547596396262
Energy: 0.42928273187739313
Energy: 0.4130547596392041
Energy: 0.42928273187739313
Energy: 0.42799664503373447
Energy: 0.41789815773320055
Energy: 0.42799664503373447
Energy: 0.41789815773320055
Energy: 0.42799664503373447
Energy: 0.41789815773320055
Energy: 0.42228129902376943
Energy: 0.39266354186046964
Energy: 0.42228129902419154
Energy: 0.39266354186046964
Energy: 0.42228129902419154
Energy: 0.39266354186046964
Energy: 0.4132928099818938
Energy: 0.4028652201734504
Energy: 0.4132928099818938
Energy: 0.4028652201734504
Energy: 0.41329280998147166
Energy: 0.4028652201734504
Energy: 0.41098383486664125
Energy: 0.4141377813976801
Energy: 0.41098383486621914
Energy: 0.4141377813976801
Energy: 0.41098383486664125
Energy: 0.4141377813976801
Energy: 0.43734144319314133
Energy: 0.41668127562118623
Energy: 0.43734144319314133
Energy: 0.41668127562118623
Energy: 0.43734144319314133
Energy: 0.41668127562118623
Energy: 0.4189957303440829
Energy: 0.40822764189279903
Energy: 0.4189957303440829
Energy: 0.40822764189279903
Energy: 0.4189957303440829
Energy: 0.40822764189279903
Energy: 0.416364003279424
Energy: 0.4087814015369715
Energy: 0.416364003279424
Energy: 0.40878140153654946
Energy: 0.416364003279424
Energy: 0.40878140153654946
Energy: 0.41661371559782834
Energy: 0.41207857615086985
Energy: 0.41661371559782834
Energy: 0.41207857615129195
Energy: 0.41661371559782834
Energy: 0.41207857615086985
Energy: 0.4279595698673185
Energy: 0.4236826468433853
Energy: 0.4279595698673185
Energy: 0.42368264684296325
Energy: 0.4279595698673185
Energy: 0.42368264684296325
Energy: 0.40360602131004164
Energy: 0.3944333098895335
Energy: 0.4036060213104637
Energy: 0.3944333098891114
Energy: 0.4036060213104637
Energy: 0.3944333098891114
Energy: 0.4332385505887131
Energy: 0.402535746724995
Energy: 0.4332385505887131
Energy: 0.402535746724995
Energy: 0.4332385505887131
Energy: 0.402535746724995
Energy: 0.41046336930867194
Energy: 0.4280902538425904
Energy: 0.41046336930867194
Energy: 0.4280902538425904
Energy: 0.41046336930867194
Energy: 0.4280902538434346
Energy: 0.40733717297599603
Energy: 0.4053823514557086
Energy: 0.40733717297599603
Energy: 0.4053823514557086
Energy: 0.40733717297641814
Energy: 0.4053823514557086
Energy: 0.40214832733911365
Energy: 0.4195656791792797
Energy: 0.4021483273386915
Energy: 0.4195656791792797
Energy: 0.4021483273386915
Energy: 0.4195656791792797
Energy: 0.39602934771421816
Energy: 0.4034932874750261
Energy: 0.39602934771421816
Energy: 0.4034932874750261
Energy: 0.39602934771421816
Energy: 0.4034932874750261
Energy: 0.47512353137491226
Energy: 0.38814405514544786
Energy: 0.47512353137491226
Energy: 0.38814405514544786
Energy: 0.47512353137491226
Energy: 0.38814405514544786
Energy: 0.3959734440765765
Energy: 0.4095545961516868
Energy: 0.3959734440765765
Energy: 0.4095545961516868
Energy: 0.3959734440765765
Energy: 0.4095545961516868
Energy: 0.3789039045825975
Energy: 0.4217351076179838
Energy: 0.37890390458301954
Energy: 0.4217351076179838
Energy: 0.37890390458301954
Energy: 0.4217351076179838
Energy: 0.4935564148536601
Energy: 0.39923275768438343
Energy: 0.4935564148536601
Energy: 0.39923275768438343
Energy: 0.4935564148536601
Energy: 0.39923275768438343
Energy: 0.42919732387127807
Energy: 0.4223586386486844
Energy: 0.42919732387127807
Energy: 0.4223586386486844
Energy: 0.42919732387127807
Energy: 0.4223586386486844
Energy: 0.3993935026626875
Energy: 0.4313005222026199
Energy: 0.3993935026626875
Energy: 0.4313005222026199
Energy: 0.3993935026626875
Energy: 0.4313005222026199
Energy: 0.40386272871728235
Energy: 0.40506169012356613
Energy: 0.40386272871728235
Energy: 0.40506169012356613
Energy: 0.40386272871728235
Energy: 0.40506169012398824

minimum gb energy = 0.3789039045825975 eV
minimum distance =  2.64613007017833 Angstroms
sigma value = 67


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

Energy: 0.4799876996981034
Energy: 0.5079787701295738
Energy: 0.47998769969750193
Energy: 0.5079787701301751
Energy: 0.4799876996969005
Energy: 0.5079787701295738
Energy: 0.4612956875572396
Energy: 0.47972863561452217
Energy: 0.4612956875572396
Energy: 0.47972863561452217
Energy: 0.4612956875572396
Energy: 0.47972863561452217
Energy: 0.5398769941705106
Energy: 0.4796622632114238
Energy: 0.5535042851670965
Energy: 0.4796622632114238
Energy: 0.5535042851670965
Energy: 0.4796622632120252
Energy: 0.47716326538916753
Energy: 0.4716664213683743
Energy: 0.47716326538916753
Energy: 0.4716664213683743
Energy: 0.47716326538856607
Energy: 0.4716664213683743
Energy: 0.4477796803218689
Energy: 0.5071285087615186
Energy: 0.4477796803218689
Energy: 0.5071285087615186
Energy: 0.4477796803212675
Energy: 0.5071285087615186
Energy: 0.4994120279633496
Energy: 0.48212053217970524
Energy: 0.4994120279633496
Energy: 0.48212053217970524
Energy: 0.4994120279633496
Energy: 0.4821205321803066
Energy: 0.5274486804927481
Energy: 0.49558987352554584
Energy: 0.5274486804933495
Energy: 0.49558987352554584
Energy: 0.5274486804927481
Energy: 0.49558987352554584
Energy: 0.4739699830436812
Energy: 0.5059326061205435
Energy: 0.4739699830430798
Energy: 0.5059326061205435
Energy: 0.4739699830436812
Energy: 0.5059326061205435
Energy: 0.4991706836442051
Energy: 0.5256116097393976
Energy: 0.49917068364480655
Energy: 0.525611609738796
Energy: 0.49917068364480655
Energy: 0.5256116097393976
Energy: 0.49204143887537877
Energy: 0.49273426965932976
Energy: 0.49204143887537877
Energy: 0.49273426965932976
Energy: 0.49204143887537877
Energy: 0.49273426965993117
Energy: 0.4821899462952042
Energy: 0.4775734913846126
Energy: 0.4821899462952042
Energy: 0.4775734913846126
Energy: 0.4821899462952042
Energy: 0.4775734913846126
Energy: 0.47230278673124115
Energy: 0.48029783159793055
Energy: 0.47230278673124115
Energy: 0.48029783159793055
Energy: 0.4723027867306397
Energy: 0.48029783159793055
Energy: 0.47253761845782527
Energy: 0.4853063512110578
Energy: 0.47253761845782527
Energy: 0.4853063512110578
Energy: 0.47253761845722386
Energy: 0.4853063512110578
Energy: 0.4970298353950997
Energy: 0.5142200225219765
Energy: 0.4970298353950997
Energy: 0.5142200225219765
Energy: 0.4970298353950997
Energy: 0.5142200225219765
Energy: 0.46010925973236844
Energy: 0.4649631919365512
Energy: 0.46010925973236844
Energy: 0.4649631919371527
Energy: 0.46010925973236844
Energy: 0.4649631919365512
Energy: 0.48554895154607103
Energy: 0.4893470927838065
Energy: 0.48554895154667244
Energy: 0.4893470927838065
Energy: 0.48554895154607103
Energy: 0.4893470927838065
Energy: 0.4657689467756929
Energy: 0.5143726684566365
Energy: 0.4657689467756929
Energy: 0.5143726684572381
Energy: 0.4657689467756929
Energy: 0.5143726684572381
Energy: 0.49896224563171476
Energy: 0.4509008182368364
Energy: 0.49896224563171476
Energy: 0.4509008182368364
Energy: 0.49896224563111335
Energy: 0.4509008182368364
Energy: 0.5109500006885777
Energy: 0.4939835382479179
Energy: 0.5109500006885777
Energy: 0.4939835382479179
Energy: 0.5109500006885777
Energy: 0.4939835382479179
Energy: 0.504081612338013
Energy: 0.5015922430308448
Energy: 0.504081612338013
Energy: 0.5015922430308448
Energy: 0.504081612338013
Energy: 0.5015922430308448
Energy: 0.4977949817828198
Energy: 0.4518713871051668
Energy: 0.4977949817828198
Energy: 0.4518713871051668
Energy: 0.4977949817828198
Energy: 0.4518713871051668
Energy: 0.4775521144245289
Energy: 0.5140279170717358
Energy: 0.4775521144251303
Energy: 0.5140279170717358
Energy: 0.4775521144251303
Energy: 0.5140279170711343
Energy: 0.48387692625226075
Energy: 0.5006953802582382
Energy: 0.48387692625226075
Energy: 0.5006953802582382
Energy: 0.48387692625226075
Energy: 0.5006953802582382

minimum gb energy = 0.4477796803212675 eV
minimum distance =  2.57070530579349 Angstroms
sigma value = 33


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

Energy: 0.5144762023851857
Energy: 0.5341153470206246
Energy: 0.5144762023851857
Energy: 0.5341153470206246
Energy: 0.5144762023848041
Energy: 0.5341153470202429
Energy: 0.5256042058889828
Energy: 0.5139111798288925
Energy: 0.5256042058889828
Energy: 0.5139111798288925
Energy: 0.5256042058889828
Energy: 0.5139111798288925
Energy: 0.5266861921671254
Energy: 0.5139800764770314
Energy: 0.5266861921671254
Energy: 0.5139800764770314
Energy: 0.5266861921671254
Energy: 0.5139800764770314
Energy: 0.5065733257886207
Energy: 0.49945072315529604
Energy: 0.5065733257890022
Energy: 0.4994507231549145
Energy: 0.5065733257890022
Energy: 0.4994507231549145
Energy: 0.49683542916270695
Energy: 0.5658050421593546
Energy: 0.4968354291623254
Energy: 0.5658050421593546
Energy: 0.4968354291623254
Energy: 0.5658050421593546
Energy: 0.5587021039854231
Energy: 0.5549932201294614
Energy: 0.5587021039858047
Energy: 0.5549932201290797
Energy: 0.5587021039854231
Energy: 0.5549932201290797
Energy: 0.5493159373926212
Energy: 0.5580925943848054
Energy: 0.5493159373918581
Energy: 0.5580925943851869
Energy: 0.5493159373918581
Energy: 0.5580925943848054
Energy: 0.5173448892159533
Energy: 0.5061036494544665
Energy: 0.5173448892163348
Energy: 0.5061036494544665
Energy: 0.5173448892159533
Energy: 0.5061036494544665
Energy: 0.5111468157415129
Energy: 0.5210382806861699
Energy: 0.5111468157411313
Energy: 0.5210382806850253
Energy: 0.5111468157415129
Energy: 0.5210382806857883
Energy: 0.5565889882186031
Energy: 0.5020286462841208
Energy: 0.5565889882189846
Energy: 0.5245583088488399
Energy: 0.5565889882186031
Energy: 0.5238980504370218
Energy: 0.5410334806205419
Energy: 0.5480698845866447
Energy: 0.5410334806205419
Energy: 0.5480698845870261
Energy: 0.5410334806201603
Energy: 0.5480698845866447
Energy: 0.49475773074889867
Energy: 0.49835591612875835
Energy: 0.49475773074889867
Energy: 0.49835591612875835
Energy: 0.4947577307492802
Energy: 0.49835591612875835
Energy: 0.532767888389627
Energy: 0.5178151843969392
Energy: 0.532767888389627
Energy: 0.5178151843969392
Energy: 0.532767888389627
Energy: 0.5178151843969392
Energy: 0.5274705134629777
Energy: 0.4935411711988794
Energy: 0.5274705134629777
Energy: 0.49354117119926094
Energy: 0.5274705134629777
Energy: 0.49354117119926094
Energy: 0.5094078715163876
Energy: 0.5164598379594125
Energy: 0.5094078715167691
Energy: 0.516459837959794
Energy: 0.5094078715167691
Energy: 0.516459837959794
Energy: 0.538371884424001
Energy: 0.5298564853310705
Energy: 0.5383718844243826
Energy: 0.5298564853310705
Energy: 0.538371884424001
Energy: 0.5298564853310705
Energy: 0.5254241582042589
Energy: 0.5350952730828412
Energy: 0.5254241582046405
Energy: 0.5350952730828412
Energy: 0.5254241582046405
Energy: 0.5350952730824596
Energy: 0.5439327212374084
Energy: 0.5509012313055187
Energy: 0.5439327212446577
Energy: 0.5509012313055187
Energy: 0.5439327212366454
Energy: 0.5509012313055187
Energy: 0.5147052336367176
Energy: 0.5258094427464659
Energy: 0.514705233636336
Energy: 0.5258094427464659
Energy: 0.514705233636336
Energy: 0.5258094427464659
Energy: 0.5591735091645488
Energy: 0.5139839414250654
Energy: 0.5591735091641672
Energy: 0.5139839414246838
Energy: 0.5591735091645488
Energy: 0.5139839414250654
Energy: 0.5368948931055004
Energy: 0.5291050588454653
Energy: 0.5368948931055004
Energy: 0.5291050588454653
Energy: 0.5368948931055004
Energy: 0.5291050588454653
Energy: 0.5080366140306293
Energy: 0.487461441795455
Energy: 0.5080366140298662
Energy: 0.487461441795455
Energy: 0.5080366140298662
Energy: 0.487461441795455
Energy: 0.5019545820552429
Energy: 0.5478515511731276
Energy: 0.5019545820556245
Energy: 0.5478515511731276
Energy: 0.5019545820556245
Energy: 0.5478515511731276
Energy: 0.5304786460768511
Energy: 0.5240112053772848
Energy: 0.5304786460772326
Energy: 0.5240112053776664
Energy: 0.5304786460768511
Energy: 0.5240112053776664
Energy: 0.5136882438816152
Energy: 0.5293355171347038
Energy: 0.5136882438819967
Energy: 0.5293355171347038
Energy: 0.5136882438819967
Energy: 0.5293355171347038
Energy: 0.49835034968475406
Energy: 0.5974573060836684
Energy: 0.49835034968475406
Energy: 0.5974573060836684
Energy: 0.49835034968475406
Energy: 0.5974573060836684
Energy: 0.549146828826565
Energy: 0.4885532313393121
Energy: 0.549146828826565
Energy: 0.4885532313393121
Energy: 0.5491468288269465
Energy: 0.4885532313393121
Energy: 0.5371289989436333
Energy: 0.5560557512822113
Energy: 0.5371289989440149
Energy: 0.5560557512818299
Energy: 0.5371289989436333
Energy: 0.5560557512822113
Energy: 0.5164697275933027
Energy: 0.5660350594735641
Energy: 0.5164697275936841
Energy: 0.5660350594731827
Energy: 0.5164697275933027
Energy: 0.5660350594731827
Energy: 0.5275356862496559
Energy: 0.5077924257820725
Energy: 0.5275356862492744
Energy: 0.5077924257820725
Energy: 0.5275356862485113
Energy: 0.5077924257820725
Energy: 0.5592927050834487
Energy: 0.5517790174964148
Energy: 0.5592927050830672
Energy: 0.5517790174964148
Energy: 0.5592927050834487
Energy: 0.5517790174964148
Energy: 0.4981461763637555
Energy: 0.5135709738766722
Energy: 0.4981461763637555
Energy: 0.5135709738762906
Energy: 0.4981461763637555
Energy: 0.5135709738766722
Energy: 0.5052237382714623
Energy: 0.5116338678662812
Energy: 0.5052237382714623
Energy: 0.5116338678662812
Energy: 0.5052237382714623
Energy: 0.5116338678666628
Energy: 0.5080027763249524
Energy: 0.5136463049705292
Energy: 0.5080027763249524
Energy: 0.5136463049701477
Energy: 0.5080027763249524
Energy: 0.5136463049705292
Energy: 0.5275739325385544
Energy: 0.5139104074364406
Energy: 0.5275739325385544
Energy: 0.5139104074364406
Energy: 0.5275739325389361
Energy: 0.5139104074364406
Energy: 0.5591870288861667
Energy: 0.5186525555696955
Energy: 0.5591870288861667
Energy: 0.5186525555696955
Energy: 0.5591870288865481
Energy: 0.5186525555696955
Energy: 0.49319559504681587
Energy: 0.5018148421100728
Energy: 0.49319559504681587
Energy: 0.5018148421104541
Energy: 0.49319559504681587
Energy: 0.5018148421100728

minimum gb energy = 0.487461441795455 eV
minimum distance =  2.60919056476758 Angstroms
sigma value = 41


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

Energy: 0.5463817411260311
Energy: 0.5640401259083533
Energy: 0.5463817411260311
Energy: 0.5640401259083533
Energy: 0.5463817411260311
Energy: 0.5640401259083533
Energy: 0.5539279627863563
Energy: 0.5605870419667347
Energy: 0.5539279627863563
Energy: 0.5605870419667347
Energy: 0.5539279627863563
Energy: 0.5605870419667347
Energy: 0.6351783042051709
Energy: 0.5580678625656675
Energy: 0.6656638755881144
Energy: 0.5580678625656675
Energy: 0.6017031621020196
Energy: 0.5580678625656675
Energy: 0.6150629850398915
Energy: 0.64296671604841
Energy: 0.6150629850398915
Energy: 0.64296671604841
Energy: 0.6150629850398915
Energy: 0.64296671604841
Energy: 0.625333141156757
Energy: 0.604882512269999
Energy: 0.625333141156757
Energy: 0.604882512269999
Energy: 0.625333141156757
Energy: 0.604882512269999
Energy: 0.5956966386821393
Energy: 0.594824486228145
Energy: 0.5956966386821393
Energy: 0.5948244862291867
Energy: 0.5956966386821393
Energy: 0.594824486228145
Energy: 0.6056592526697817
Energy: 0.5358554654899452
Energy: 0.6056592526697817
Energy: 0.5358554654899452
Energy: 0.6056592526697817
Energy: 0.5358554654899452
Energy: 0.5585332111980974
Energy: 0.5808212923422144
Energy: 0.5585332111980974
Energy: 0.5808212923422144
Energy: 0.5585332111980974
Energy: 0.5808212923422144
Energy: 0.5546061354283315
Energy: 0.5725759733356618
Energy: 0.5546061354283315
Energy: 0.5725759733356618
Energy: 0.5546061354283315
Energy: 0.5725759733356618
Energy: 0.5853141882113828
Energy: 0.5713901089582547
Energy: 0.5853141882113828
Energy: 0.5713901089582547
Energy: 0.5853141882113828
Energy: 0.5713901089582547
Energy: 0.5560652502523844
Energy: 0.5591325863338835
Energy: 0.5560652502523844
Energy: 0.5591325863338835
Energy: 0.5560652502523844
Energy: 0.5591325863338835
Energy: 0.5767321702209293
Energy: 0.5606145521784368
Energy: 0.5767321702209293
Energy: 0.5606145521784368
Energy: 0.5767321702209293
Energy: 0.5606145521784368
Energy: 0.5902322574965247
Energy: 0.555258356558353
Energy: 0.5902322574965247
Energy: 0.555258356558353
Energy: 0.5902322574965247
Energy: 0.555258356558353
Energy: 0.6057555301304842
Energy: 0.6050762163453051
Energy: 0.6057555301304842
Energy: 0.6050762163453051
Energy: 0.6057555301304842
Energy: 0.6050762163442633

minimum gb energy = 0.5358554654899452 eV
minimum distance =  2.46353175893712 Angstroms
sigma value = 11


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

Energy: 0.6123233369569493
Energy: 0.6159996441489675
Energy: 0.6123233369569493
Energy: 0.6159996441489675
Energy: 0.6123233369569493
Energy: 0.6159996441489675
Energy: 0.6120117932247868
Energy: 0.61422354482084
Energy: 0.6120117932252443
Energy: 0.61422354482084
Energy: 0.6120117932252443
Energy: 0.61422354482084
Energy: 0.6404449962556277
Energy: 0.5847479457553607
Energy: 0.6404449962551699
Energy: 0.5847479457553607
Energy: 0.637855155396937
Energy: 0.5847479457553607
Energy: 0.5868813556308773
Energy: 0.5644953807681109
Energy: 0.5868813556313348
Energy: 0.5644953807681109
Energy: 0.5868813556313348
Energy: 0.5644953807685685
Energy: 0.620045764734677
Energy: 0.584148463579867
Energy: 0.620045764734677
Energy: 0.5841484635803247
Energy: 0.620045764734677
Energy: 0.5841484635803247
Energy: 0.5672472717490596
Energy: 0.5990072631434644
Energy: 0.5672472717495172
Energy: 0.5990072631434644
Energy: 0.5672472717490596
Energy: 0.5990072631434644
Energy: 0.5825585372334202
Energy: 0.5790581256369443
Energy: 0.5825585372334202
Energy: 0.5790581256369443
Energy: 0.5825585372329626
Energy: 0.5790581256369443
Energy: 0.5731550622491663
Energy: 0.5821167551389155
Energy: 0.5731550622491663
Energy: 0.5821167551389155
Energy: 0.5731550622491663
Energy: 0.5821167551389155
Energy: 0.5791761315403158
Energy: 0.5922925658554655
Energy: 0.5791761315403158
Energy: 0.5922925658554655
Energy: 0.5791761315403158
Energy: 0.5922925658554655
Energy: 0.5779712397166981
Energy: 0.5851591932899846
Energy: 0.5779712397166981
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Energy: 0.5779712397166981
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Energy: 0.5949352822822749
Energy: 0.6142439461471026
Energy: 0.5949352822822749
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Energy: 0.5949352822822749
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Energy: 0.5949858954429241
Energy: 0.603433211839535
Energy: 0.5949858954429241
Energy: 0.603433211839535
Energy: 0.5949858954429241
Energy: 0.603433211839535
Energy: 0.5871031775672172
Energy: 0.5753843018078516
Energy: 0.5871031775672172
Energy: 0.5753843018078516
Energy: 0.5871031775672172
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Energy: 0.6152696884114036
Energy: 0.5989900398702681
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Energy: 0.5989900398702681
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Energy: 0.5826513091653428
Energy: 0.5615394852441653
Energy: 0.5826513091653428
Energy: 0.5921676410303056
Energy: 0.6064534699896722
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Energy: 0.5646647340420672
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Energy: 0.5646647340420672
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Energy: 0.5758743524124526
Energy: 0.5884369362196504
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Energy: 0.5758743524124526
Energy: 0.5884369362196504
Energy: 0.5871749295058128
Energy: 0.6008223445405688
Energy: 0.5871749295058128
Energy: 0.6008223445405688
Energy: 0.5871749295058128
Energy: 0.6008223445405688
Energy: 0.6300997234138838
Energy: 0.5900993609070873
Energy: 0.6300997234138838
Energy: 0.5900993609070873
Energy: 0.6300997234138838
Energy: 0.5900993609070873
Energy: 0.5736400155244079
Energy: 0.5637260114122334
Energy: 0.5736400155244079
Energy: 0.5637260114122334
Energy: 0.5736400155239503
Energy: 0.5637260114126911
Energy: 0.6089263268083265
Energy: 0.6193730277839654
Energy: 0.6089263268083265
Energy: 0.6193730277835077
Energy: 0.6089263268083265
Energy: 0.6193730277839654
Energy: 0.5676359759855026
Energy: 0.5791385664506414
Energy: 0.5676359759855026
Energy: 0.5791385664506414
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Energy: 0.5791385664506414
Energy: 0.5911998739781197
Energy: 0.5977674574488163
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Energy: 0.5977674574488163
Energy: 0.5911998739781197
Energy: 0.5977674574488163
Energy: 0.5856647758519489
Energy: 0.5991358646764882
Energy: 0.5856647758524065
Energy: 0.5991358646764882
Energy: 0.5856647758524065
Energy: 0.5991358646764882
Energy: 0.5730337544805538
Energy: 0.6086772172855409
Energy: 0.5730337544810113
Energy: 0.6086772172850832
Energy: 0.5730337544810113
Energy: 0.6086772172850832
Energy: 0.5866408643298728
Energy: 0.6018462810475289
Energy: 0.5866408643303305
Energy: 0.6018462810475289
Energy: 0.5866408643303305
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Energy: 0.5939692426002925
Energy: 0.5644444839425329
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Energy: 0.5939692426002925
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Energy: 0.5863037553480883
Energy: 0.6082581061064998
Energy: 0.5863037553480883
Energy: 0.6082581061064998
Energy: 0.5863037553480883
Energy: 0.6082581061064998
Energy: 0.561986227174173
Energy: 0.5419779714272974
Energy: 0.561986227174173
Energy: 0.5419779714272974
Energy: 0.561986227174173
Energy: 0.5419779714272974
Energy: 0.5807304105810381
Energy: 0.6284051642801848
Energy: 0.5807304105810381
Energy: 0.6284051642801848
Energy: 0.5807304105814957
Energy: 0.6284051642806425

minimum gb energy = 0.5419779714272974 eV
minimum distance =  2.46809811760043 Angstroms
sigma value = 57


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

Energy: 0.5162323289698993
Energy: 0.4853310868025629
Energy: 0.5162323289698993
Energy: 0.4853310868017485
Energy: 0.5162323289698993
Energy: 0.4853310868025629
Energy: 0.539008771749625
Energy: 0.5194966265722503
Energy: 0.5390087717479962
Energy: 0.5194966265722503
Energy: 0.5390087717488107
Energy: 0.5194966265730646
Energy: 0.5362967950313252
Energy: 0.5233014896693053
Energy: 0.5362967950313252
Energy: 0.523301489668491
Energy: 0.5362967950313252
Energy: 0.523301489668491
Energy: 0.5110123383698172
Energy: 0.501890814126536
Energy: 0.5110123383690028
Energy: 0.5018908141273504
Energy: 0.5110123383690028
Energy: 0.5018908141273504
Energy: 0.5363507908326247
Energy: 0.5232786246295819
Energy: 0.5363507908334391
Energy: 0.5232786246295819
Energy: 0.5363507908326247
Energy: 0.5232786246295819
Energy: 0.5371071957715111
Energy: 0.5474336926202075
Energy: 0.5371071957715111
Energy: 0.5695504023362712
Energy: 0.5371071957706968
Energy: 0.5010459172030494
Energy: 0.5162323289698993
Energy: 0.4853310868017485
Energy: 0.5162323289698993
Energy: 0.4853310868025629
Energy: 0.5162323289698993
Energy: 0.4853310868017485
Energy: 0.5390087717479962
Energy: 0.5194966265722503
Energy: 0.5390087717488107
Energy: 0.5194966265730646
Energy: 0.5390087717488107
Energy: 0.5194966265730646
Energy: 0.5362967950321397
Energy: 0.5233014896693053
Energy: 0.5362967950313252
Energy: 0.5233014896693053
Energy: 0.5362967950321397
Energy: 0.5233014896693053
Energy: 0.5110123383690028
Energy: 0.4936102949887404
Energy: 0.5110123383690028
Energy: 0.4936102949887404
Energy: 0.5110123383690028
Energy: 0.4936102949887404
Energy: 0.5363507908326247
Energy: 0.5232786246295819
Energy: 0.5363507908326247
Energy: 0.5232786246295819
Energy: 0.5363507908326247
Energy: 0.5232786246295819
Energy: 0.5371071957706968
Energy: 0.5010459172030494
Energy: 0.5371071957715111
Energy: 0.5010459172030494
Energy: 0.5371071957706968
Energy: 0.5010459172030494
Energy: 0.5162323289698993
Energy: 0.4853310868025629
Energy: 0.5162323289698993
Energy: 0.4853310868025629
Energy: 0.5162323289698993
Energy: 0.4853310868025629
Energy: 0.5390087717488107
Energy: 0.5194966265730646
Energy: 0.5390087717488107
Energy: 0.5194966265722503
Energy: 0.5390087717488107
Energy: 0.5194966265722503
Energy: 0.5362967950321397
Energy: 0.5233014896693053
Energy: 0.5362967950313252
Energy: 0.5233014896693053
Energy: 0.5362967950313252
Energy: 0.5233014896693053
Energy: 0.5110123383690028
Energy: 0.4936102949887404
Energy: 0.5110123383690028
Energy: 0.4936102949887404
Energy: 0.5110123383690028
Energy: 0.4936102949887404
Energy: 0.5363507908350678
Energy: 0.5232786246295819
Energy: 0.5363507908342534
Energy: 0.5232786246303962
Energy: 0.5363507908334391
Energy: 0.5232786246295819

minimum gb energy = 0.4853310868017485 eV
minimum distance =  2.52155656264326 Angstroms
sigma value = 9


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

Energy: 0.6078603729565611
Energy: 0.5436939604135806
Energy: 0.6078603729565611
Energy: 0.5436939604135806
Energy: 0.6078603729565611
Energy: 0.5436939604135806
Energy: 0.6104157526800733
Energy: 0.564511151687125
Energy: 0.6104157526800733
Energy: 0.56451115168646
Energy: 0.6104157526800733
Energy: 0.564511151687125
Energy: 0.5995870581396254
Energy: 0.5735181714729806
Energy: 0.616948253443121
Energy: 0.5735181714723157
Energy: 0.6169482534424561
Energy: 0.5735181714723157
Energy: 0.5727738536540891
Energy: 0.6533449822956721
Energy: 0.5727738536540891
Energy: 0.6533449822956721
Energy: 0.5727738536540891
Energy: 0.6533449822956721
Energy: 0.5569100966983622
Energy: 0.5875820476455306
Energy: 0.5569100966983622
Energy: 0.5875820476455306
Energy: 0.5569100966983622
Energy: 0.5875820476461955
Energy: 0.5469688756791355
Energy: 0.5914190761236074
Energy: 0.5469688756791355
Energy: 0.5914190761236074
Energy: 0.5469688756791355
Energy: 0.5914190761236074
Energy: 0.5807022001930164
Energy: 0.6044612594159127
Energy: 0.5807022001930164
Energy: 0.6044612594165776
Energy: 0.5807022001930164
Energy: 0.6044612594165776
Energy: 0.547865673806516
Energy: 0.6039314845128206
Energy: 0.547865673806516
Energy: 0.6039314845128206
Energy: 0.547865673806516
Energy: 0.6039314845128206
Energy: 0.5791497782122659
Energy: 0.6148867771111283
Energy: 0.5791497782129308
Energy: 0.6148867771111283
Energy: 0.5791497782122659
Energy: 0.6148867771111283
Energy: 0.5805374952697384
Energy: 0.5834581167174314
Energy: 0.5805374952697384
Energy: 0.5834581167167665
Energy: 0.5805374952697384
Energy: 0.5834581167174314
Energy: 0.5440739146683992
Energy: 0.5705631598772223
Energy: 0.5440739146683992
Energy: 0.5705631598772223
Energy: 0.5440739146683992
Energy: 0.5705631598772223
Energy: 0.584432136843778
Energy: 0.5882463648667055
Energy: 0.584432136843778
Energy: 0.5882463648673704
Energy: 0.584432136844443
Energy: 0.5882463648667055
Energy: 0.5603166115512151
Energy: 0.6267861297253997
Energy: 0.5603166115512151
Energy: 0.6267861297247348
Energy: 0.5603166115512151
Energy: 0.6267861297253997
Energy: 0.6053257631848749
Energy: 0.6040151965207043
Energy: 0.6053257631842099
Energy: 0.6040151965207043
Energy: 0.6053257631848749
Energy: 0.6040151965200394
Energy: 0.5520607598353918
Energy: 0.5798589912970932
Energy: 0.5520607598353918
Energy: 0.5798589912970932
Energy: 0.5520607598353918
Energy: 0.5798589912970932
Energy: 0.6095904764557037
Energy: 0.5622520577246485
Energy: 0.6095904764557037
Energy: 0.5622520577246485
Energy: 0.6095904764557037
Energy: 0.5622520577239836
Energy: 0.5965202810020614
Energy: 0.5641229907771674
Energy: 0.5965202810020614
Energy: 0.5641229907771674
Energy: 0.5965202810020614
Energy: 0.5641229907771674
Energy: 0.6295200983660781
Energy: 0.5799497960441747
Energy: 0.6295200983660781
Energy: 0.5799497960441747
Energy: 0.6295200983660781
Energy: 0.5799497960441747
Energy: 0.5712186393068479
Energy: 0.6132766243311146
Energy: 0.5712186393075128
Energy: 0.6132766243311146
Energy: 0.5712186393068479
Energy: 0.6132766243311146
Energy: 0.56551393637113
Energy: 0.5928135443370754
Energy: 0.5655139363717949
Energy: 0.5928135443370754
Energy: 0.5655139363717949
Energy: 0.5928135443370754
Energy: 0.5908834616115297
Energy: 0.603812608122924
Energy: 0.5908834616115297
Energy: 0.603812608122924
Energy: 0.5908834616115297
Energy: 0.603812608122924

minimum gb energy = 0.5436939604135806 eV
minimum distance =  2.52660250357805 Angstroms
sigma value = 27


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

Energy: 0.6373866595234515
Energy: 0.5963398791495994
Energy: 0.6373866595234515
Energy: 0.5963398791495994
Energy: 0.6373866595234515
Energy: 0.5963398791495994
Energy: 0.5979012005764931
Energy: 0.6092941484420819
Energy: 0.5979012005764931
Energy: 0.6092941484420819
Energy: 0.5979012005764931
Energy: 0.6092941484415214
Energy: 0.6683327973184535
Energy: 0.597980927283759
Energy: 0.668332797317893
Energy: 0.597980927283759
Energy: 0.668332797317893
Energy: 0.597980927283759
Energy: 0.7276655593242696
Energy: 0.7233705427603854
Energy: 0.7276655593242696
Energy: 0.7233705427603854
Energy: 0.7276655593237092
Energy: 0.7233705427603854
Energy: 0.6112454579253337
Energy: 0.5534898064853734
Energy: 0.6112454579253337
Energy: 0.5534898064853734
Energy: 0.6112454579253337
Energy: 0.5534898064848129
Energy: 0.5619250651602518
Energy: 0.6337158630961719
Energy: 0.5619250651602518
Energy: 0.6337158630961719
Energy: 0.5619250651602518
Energy: 0.6337158630961719
Energy: 0.6266206021813867
Energy: 0.5745806100222076
Energy: 0.6266206021813867
Energy: 0.5745806100222076
Energy: 0.6266206021813867
Energy: 0.5745806100222076
Energy: 0.6453747535377177
Energy: 0.6496623240754348
Energy: 0.6453747535377177
Energy: 0.6496623240754348
Energy: 0.6453747535377177
Energy: 0.6496623240759953
Energy: 0.5621706515937908
Energy: 0.6336964919840811
Energy: 0.5621706515937908
Energy: 0.6336964919840811
Energy: 0.5621706515937908
Energy: 0.6336964919840811
Energy: 0.7317602104734636
Energy: 0.5788985491108648
Energy: 0.7317602104734636
Energy: 0.5788985491108648
Energy: 0.7317602104734636
Energy: 0.5788985491108648
Energy: 0.7277785649117046
Energy: 0.6011180036516253
Energy: 0.7277785649117046
Energy: 0.6011180036516253
Energy: 0.7277785649122651
Energy: 0.6011180036516253
Energy: 0.5779261011030776
Energy: 0.6267657240652745
Energy: 0.5779261011030776
Energy: 0.6267657240652745
Energy: 0.5779261011030776
Energy: 0.6267657240652745
Energy: 0.6532462621101494
Energy: 0.641639810703577
Energy: 0.6532462621107098
Energy: 0.641639810703577
Energy: 0.6532462621101494
Energy: 0.641639810703577
Energy: 0.631504407856567
Energy: 0.5625485855203932
Energy: 0.631504407856567
Energy: 0.5625485855203932
Energy: 0.631504407856567
Energy: 0.5625485855203932
Energy: 0.5688120085507431
Energy: 0.6336660532611622
Energy: 0.5688120085507431
Energy: 0.6336660532606018
Energy: 0.5688120085507431
Energy: 0.6336660532606018
Energy: 0.6102428276376999
Energy: 0.5537317120059921
Energy: 0.6102428276376999
Energy: 0.5537317120059921
Energy: 0.6102428276376999
Energy: 0.5537317120059921
Energy: 0.6217908271018313
Energy: 0.6670995085978213
Energy: 0.6217908271012709
Energy: 0.6670995085978213
Energy: 0.6217908271012709
Energy: 0.6670995085967004
Energy: 0.7265196966133992
Energy: 0.5769901973450503
Energy: 0.7265196966139597
Energy: 0.5769901973444899
Energy: 0.7265196966139597
Energy: 0.5769901973450503
Energy: 0.5883240500152165
Energy: 0.6219113934131019
Energy: 0.5883240500152165
Energy: 0.6219113934131019
Energy: 0.5883240500146559
Energy: 0.6219113934131019
Energy: 0.637386659522891
Energy: 0.5963398791495994
Energy: 0.6373866595234515
Energy: 0.5963398791495994
Energy: 0.6373866595234515
Energy: 0.5963398791495994
Energy: 0.5979012005759325
Energy: 0.6092941484420819
Energy: 0.5979012005759325
Energy: 0.6092941484420819
Energy: 0.5979012005759325
Energy: 0.6092941484420819
Energy: 0.668332797317893
Energy: 0.597980927283759
Energy: 0.668332797319014
Energy: 0.597980927283759
Energy: 0.6683327973184535
Energy: 0.597980927283759
Energy: 0.7276655593237092
Energy: 0.7233705427609458
Energy: 0.7276655593242696
Energy: 0.7233705427603854
Energy: 0.7276655593237092
Energy: 0.7233705427603854
Energy: 0.6112454579253337
Energy: 0.5534898064853734
Energy: 0.6112454579253337
Energy: 0.5534898064848129
Energy: 0.6112454579253337
Energy: 0.5534898064853734
Energy: 0.5619250651602518
Energy: 0.6337158630961719
Energy: 0.5619250651602518
Energy: 0.6337158630961719
Energy: 0.5619250651602518
Energy: 0.6337158630961719

minimum gb energy = 0.5534898064848129 eV
minimum distance =  2.56013453988648 Angstroms
sigma value = 19


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

Energy: 0.6099353316743169
Energy: 0.609605836469463
Energy: 0.6099353316743169
Energy: 0.609605836469463
Energy: 0.6099353316743169
Energy: 0.609605836469463
Energy: 0.6384211509481388
Energy: 0.5875769274376256
Energy: 0.6384211509481388
Energy: 0.587576927437142
Energy: 0.6384211509481388
Energy: 0.5875769274376256
Energy: 0.626942323482765
Energy: 0.5813877664009407
Energy: 0.6437535969286845
Energy: 0.5813877664009407
Energy: 0.6241150082539871
Energy: 0.5813877664014245
Energy: 0.586365364616697
Energy: 0.6067423783536912
Energy: 0.586365364616697
Energy: 0.6067423783536912
Energy: 0.586365364616697
Energy: 0.6067423783536912
Energy: 0.5906327252632434
Energy: 0.5999404441426912
Energy: 0.5906327252627596
Energy: 0.5999404441426912
Energy: 0.5906327252632434
Energy: 0.5999404441426912
Energy: 0.6212362907270963
Energy: 0.5932437969401533
Energy: 0.6212362907270963
Energy: 0.5932437969401533
Energy: 0.62123629072758
Energy: 0.5932437969396694
Energy: 0.5834761944855309
Energy: 0.6676222932796312
Energy: 0.5834761944855309
Energy: 0.6676222932796312
Energy: 0.5834761944855309
Energy: 0.667622293280115
Energy: 0.5924874843446115
Energy: 0.6767072661622962
Energy: 0.5924874843446115
Energy: 0.6767072661618123
Energy: 0.5924874843446115
Energy: 0.6767072661618123
Energy: 0.6340814707479369
Energy: 0.5804483074390562
Energy: 0.6340814707479369
Energy: 0.5804483074390562
Energy: 0.6340814707479369
Energy: 0.5804483074390562
Energy: 0.5987310645898302
Energy: 0.6128606328507035
Energy: 0.5987310645898302
Energy: 0.6128606328511873
Energy: 0.5987310645898302
Energy: 0.6128606328507035
Energy: 0.5812204808918913
Energy: 0.6202828394884384
Energy: 0.5812204808918913
Energy: 0.6202828394884384
Energy: 0.5812204808918913
Energy: 0.6202828394884384
Energy: 0.676712385039735
Energy: 0.5877842247244386
Energy: 0.6767123850392511
Energy: 0.5877842247244386
Energy: 0.6767123850392511
Energy: 0.5877842247244386
Energy: 0.6226521195998792
Energy: 0.6070914926203396
Energy: 0.6226521195998792
Energy: 0.6070914926198558
Energy: 0.6226521195998792
Energy: 0.6070914926203396
Energy: 0.5917440472130179
Energy: 0.6057558721173236
Energy: 0.5917440472130179
Energy: 0.6057558721173236
Energy: 0.5917440472130179
Energy: 0.6057558721173236
Energy: 0.6231854849128736
Energy: 0.5744972274910615
Energy: 0.6231854849128736
Energy: 0.5744972274910615
Energy: 0.6231854849128736
Energy: 0.5744972274910615
Energy: 0.605967415670336
Energy: 0.5780880237674877
Energy: 0.6059674156698521
Energy: 0.5780880237674877
Energy: 0.605967415670336
Energy: 0.5780880237674877
Energy: 0.5906031768799055
Energy: 0.6425989828337751
Energy: 0.5906031768799055
Energy: 0.6425989828337751
Energy: 0.5906031768799055
Energy: 0.6425989828337751
Energy: 0.5960980807181914
Energy: 0.6540725745671473
Energy: 0.5960980807181914
Energy: 0.6540725745671473
Energy: 0.5960980807181914
Energy: 0.6540725745671473
Energy: 0.6183305061468467
Energy: 0.592507047955968
Energy: 0.6183305061468467
Energy: 0.592507047955968
Energy: 0.64612470353401
Energy: 0.592507047955968
Energy: 0.5836455884258456
Energy: 0.5952074051037656
Energy: 0.5836455884258456
Energy: 0.5952074051037656
Energy: 0.5836455884258456
Energy: 0.5952074051032819
Energy: 0.5710339550735507
Energy: 0.6491441067642374
Energy: 0.5710339550735507
Energy: 0.6491441067642374
Energy: 0.5710339550735507
Energy: 0.6491441067642374
Energy: 0.6316558033221557
Energy: 0.5813237330551839
Energy: 0.6316558033216718
Energy: 0.5813237330551839
Energy: 0.6316558033221557
Energy: 0.5813237330551839
Energy: 0.6210214946582032
Energy: 0.595138096407512
Energy: 0.6210214946577193
Energy: 0.595138096407512
Energy: 0.6210214946582032
Energy: 0.595138096407512
Energy: 0.6124704589079195
Energy: 0.6236111735624068
Energy: 0.6124704589079195
Energy: 0.6236111735624068
Energy: 0.6124704589079195
Energy: 0.6236111735624068
Energy: 0.5789883567999399
Energy: 0.5781777353339297
Energy: 0.5789883567999399
Energy: 0.5781777353339297
Energy: 0.5789883567999399
Energy: 0.5781777353339297
Energy: 0.6301907559736719
Energy: 0.5744810385426364
Energy: 0.6301907559736719
Energy: 0.5744810385426364
Energy: 0.6301907559736719
Energy: 0.5744810385426364
Energy: 0.5780928135107704
Energy: 0.5894976899263114
Energy: 0.5780928135107704
Energy: 0.5894976899263114
Energy: 0.5780928135107704
Energy: 0.5894976899263114
Energy: 0.6418493706733677
Energy: 0.5926856158126504
Energy: 0.6418493706733677
Energy: 0.5926856158126504
Energy: 0.6418493706733677
Energy: 0.5926856158126504
Energy: 0.6405358597910372
Energy: 0.5925000408150985
Energy: 0.6405358597910372
Energy: 0.5925000408155824
Energy: 0.6405358597910372
Energy: 0.5925000408155824

minimum gb energy = 0.5710339550735507 eV
minimum distance =  2.55332667620828 Angstroms
sigma value = 101


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

Energy: 0.5690545663269743
Energy: 0.5973134986383551
Energy: 0.5690545663269743
Energy: 0.5973134986387806
Energy: 0.5690545663269743
Energy: 0.5973134986387806
Energy: 0.5788823358468809
Energy: 0.5779232333577088
Energy: 0.5788823358473063
Energy: 0.577737394155293
Energy: 0.5788823358477315
Energy: 0.5706257192904425
Energy: 0.6028126969274151
Energy: 0.5449262841670817
Energy: 0.6028126969274151
Energy: 0.5449262841666564
Energy: 0.6028126969278403
Energy: 0.5449262841666564
Energy: 0.5311087565712674
Energy: 0.6248341231775673
Energy: 0.5311087565712674
Energy: 0.6453010146847431
Energy: 0.5311087565708422
Energy: 0.6206468492973739
Energy: 0.5565413894943694
Energy: 0.5858656359476418
Energy: 0.5565413894943694
Energy: 0.5858656359476418
Energy: 0.556541389493944
Energy: 0.5858656359480673
Energy: 0.6033353642536539
Energy: 0.5398102498417753
Energy: 0.6033353642540792
Energy: 0.5398102498417753
Energy: 0.6033353642540792
Energy: 0.5398102498422005
Energy: 0.5704788921951667
Energy: 0.573111312249531
Energy: 0.5704788921951667
Energy: 0.5731113122491057
Energy: 0.5704788921951667
Energy: 0.5731113122482552
Energy: 0.5346841733988718
Energy: 0.6502432466764453
Energy: 0.5346841733988718
Energy: 0.6502432466764453
Energy: 0.5346841733984465
Energy: 0.6502432466764453
Energy: 0.597799544236347
Energy: 0.5404800259561516
Energy: 0.597799544236347
Energy: 0.5404800259561516
Energy: 0.597799544236347
Energy: 0.5404800259561516
Energy: 0.5812499590157694
Energy: 0.6038575615192051
Energy: 0.5812499590157694
Energy: 0.5924720506089569
Energy: 0.5812499590157694
Energy: 0.5781175291936081
Energy: 0.5298835802208679
Energy: 0.6927622114878029
Energy: 0.5298835802208679
Energy: 0.6927622114878029
Energy: 0.5298835802204426
Energy: 0.6927622114882281
Energy: 0.5912341928162733
Energy: 0.5482885894198715
Energy: 0.591234192815848
Energy: 0.5482885894198715
Energy: 0.5912341928145721
Energy: 0.5482885894198715
Energy: 0.56988696753325
Energy: 0.5447345739488976
Energy: 0.56988696753325
Energy: 0.5447345739488976
Energy: 0.56988696753325
Energy: 0.5447345739480469
Energy: 0.5713351194341295
Energy: 0.6270929128156186
Energy: 0.5713351194341295
Energy: 0.649086088004013
Energy: 0.5713351194341295
Energy: 0.5972615686629075
Energy: 0.5820405889919953
Energy: 0.5917546211652094
Energy: 0.5820405889915701
Energy: 0.5917546211652094
Energy: 0.5820405889919953
Energy: 0.5917546211652094
Energy: 0.6015017168207775
Energy: 0.5456414453582125
Energy: 0.6015017168207775
Energy: 0.5456414453582125
Energy: 0.6015017168212028
Energy: 0.5456414453582125
Energy: 0.5290810675560411
Energy: 0.6005042253010955
Energy: 0.5290810675556159
Energy: 0.6005042253010955
Energy: 0.5290810675560411
Energy: 0.6005042253006703
Energy: 0.5279037612566433
Energy: 0.6107515123896047
Energy: 0.5279037612562181
Energy: 0.6107515123896047
Energy: 0.5279037612562181
Energy: 0.6107515123896047
Energy: 0.5930211999123906
Energy: 0.5403726829565854
Energy: 0.5930211999123906
Energy: 0.5403726829570107
Energy: 0.5930211999123906
Energy: 0.5403726829565854
Energy: 0.5645446421666074
Energy: 0.6044932575374329
Energy: 0.564544642166182
Energy: 0.6044932575378581
Energy: 0.5645446421666074
Energy: 0.6044932575378581
Energy: 0.5362473580840104
Energy: 0.6663523314918166
Energy: 0.5362473580840104
Energy: 0.6663523314918166
Energy: 0.5362473580840104
Energy: 0.6663523314922419
Energy: 0.6040528038241082
Energy: 0.5398054214031135
Energy: 0.6040528038245335
Energy: 0.5398054214031135
Energy: 0.6040528038241082
Energy: 0.5398054214031135
Energy: 0.6197575666166959
Energy: 0.5391291758577456
Energy: 0.6197575666166959
Energy: 0.5391291758573202
Energy: 0.6197575666166959
Energy: 0.5391291758573202
Energy: 0.531221619997965
Energy: 0.632993461468454
Energy: 0.531221619997965
Energy: 0.632993461468454
Energy: 0.531221619997965
Energy: 0.6329934614688792
Energy: 0.6771576821504659
Energy: 0.6231781999907203
Energy: 0.6771576821500406
Energy: 0.6231781999902951
Energy: 0.6771576821504659
Energy: 0.6231781999902951
Energy: 0.5659906780828571
Energy: 0.5455690302451348
Energy: 0.5659906780824319
Energy: 0.5455690302447096
Energy: 0.5659906780824319
Energy: 0.5455690302451348
Energy: 0.5690781323999831
Energy: 0.6041178954949405
Energy: 0.5690781324008335
Energy: 0.6041178954949405
Energy: 0.5690781324012587
Energy: 0.6041178954949405
Energy: 0.5878716252407817
Energy: 0.6056070090026467
Energy: 0.5878716252407817
Energy: 0.6056070090030721
Energy: 0.5878716252412072
Energy: 0.6056070090026467
Energy: 0.6310245941968345
Energy: 0.5441124126695402
Energy: 0.6310245941972599
Energy: 0.5441124126695402
Energy: 0.6310245941976852
Energy: 0.5441124126695402
Energy: 0.5282198260016626
Energy: 0.649233077161953
Energy: 0.5282198260016626
Energy: 0.649233077161953
Energy: 0.5282198260012374
Energy: 0.649233077161953
Energy: 0.5303793892574742
Energy: 0.5943714241060777
Energy: 0.530379389257049
Energy: 0.5943714241060777
Energy: 0.530379389257049
Energy: 0.5943714241060777
Energy: 0.6189123539672357
Energy: 0.5398808315363247
Energy: 0.6189123539672357
Energy: 0.5398808315363247
Energy: 0.6189123539672357
Energy: 0.5398808315363247
Energy: 0.604073253508541
Energy: 0.5626497561626914
Energy: 0.6040732535076905
Energy: 0.5626497561626914
Energy: 0.6040732535076905
Energy: 0.5626497561626914

minimum gb energy = 0.5279037612562181 eV
minimum distance =  2.54365835060209 Angstroms
sigma value = 33


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

Energy: 0.011681506249947824
Energy: 0.5040853827423258
Energy: 0.011681506249947824
Energy: 0.5040853827419921
Energy: 0.011681506249947824
Energy: 0.5040853827423258
Energy: 0.012401548932530555
Energy: 0.17462271272233215
Energy: 0.012401548932530555
Energy: 0.17462271272233215
Energy: 0.012401548932530555
Energy: 0.17462271272233215
Energy: 0.6190991352935659
Energy: 0.17421302117618823
Energy: 0.8520097617398085
Energy: 0.17420584760375185
Energy: 1.1403041879750937
Energy: 0.17420229223880745
Energy: 0.012401548932530555
Energy: 0.17462271272233215
Energy: 0.012401548932530555
Energy: 0.17462271272266588
Energy: 0.012401548932530555
Energy: 0.17462271272266588

minimum gb energy = 0.011681506249947824 eV
minimum distance =  2.83788990012899 Angstroms
sigma value = 1