Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.882650256156921
cohesive_energy=3.880282732726341
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011799381670120538
Energy: 0.011958478520737325
Energy: 0.20267146373389888
Energy: 0.011958478521203122
Energy: 0.011799381670120538
Energy: 0.011958478520737325
Energy: 0.011958478520737325
Energy: 2.922548156246314
Energy: 0.011958478520737325
Energy: 2.9225481562458477
Energy: 0.011958478520737325
Energy: 2.922548156246314
Energy: 0.2026714637329399
Energy: 0.011958478521203122
Energy: 0.011799381670586334
Energy: 0.011958478520737325
Energy: 0.20267146373340567
Energy: 0.011958478520737325
Energy: 0.011958478520244129
Energy: 2.922548156247273
Energy: 0.011958478520244129
Energy: 2.922548156246314
Energy: 0.011958478521203122
Energy: 2.922548156246314
Energy: 0.011799381670120538
Energy: 0.011958478520737325
Energy: 0.20267146373389888
Energy: 0.01195847852169632
Energy: 0.011799381670120538
Energy: 0.011958478520737325
Energy: 0.011958478519750931
Energy: 2.922548156246314
Energy: 0.011958478520737325
Energy: 2.922548156247273
Energy: 0.011958478520737325
Energy: 2.922548156246807

minimum gb energy = 0.011799381670120538 eV
minimum distance =  2.37334967368075 Angstroms
sigma value = 1


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

Energy: 1.6876165610174039
Energy: 1.38879027591533
Energy: 1.491926347275773
Energy: 1.38879027591533
Energy: 1.6876165610174039
Energy: 1.38879027591533
Energy: 1.4812681978514786
Energy: 1.3198652561079232
Energy: 1.4807970375979378
Energy: 1.3198652561067359
Energy: 1.4812681978502913
Energy: 1.3198652561067359
Energy: 1.495247059049504
Energy: 1.3180546263912578
Energy: 1.6974400123778894
Energy: 1.3180546263924449
Energy: 1.4952470590518783
Energy: 1.3180546263912578
Energy: 1.495903589534324
Energy: 1.2920659660211657
Energy: 1.4803802709841052
Energy: 1.2920659660199787
Energy: 1.4959035895331365
Energy: 1.2920659660199787
Energy: 1.493871228744849
Energy: 1.3886869827112382
Energy: 1.7131621363831269
Energy: 1.388686982710051
Energy: 1.493871228737726
Energy: 1.388686982710051
Energy: 1.4811209265888017
Energy: 1.318710458941008
Energy: 1.494495090590265
Energy: 1.3187104589398206
Energy: 1.4811209265888017
Energy: 1.3187104589398206
Energy: 1.4810513782382955
Energy: 1.3187379924429103
Energy: 1.4935728734233094
Energy: 1.3187379924429103
Energy: 1.4810513781789634
Energy: 1.3187379924429103
Energy: 1.6105584542045186
Energy: 1.3887651163730477
Energy: 1.4824374373774367
Energy: 1.3887651163718604
Energy: 1.6105584542057056
Energy: 1.3887651163730477
Energy: 1.495181019854456
Energy: 1.292173689651887
Energy: 1.4799239577232486
Energy: 1.2921736896506995
Energy: 1.495181019866301
Energy: 1.2921736896506995
Energy: 1.6928939583310976
Energy: 1.3181188207312202
Energy: 1.4936940390025508
Energy: 1.3181188207324075
Energy: 1.6928939583310976
Energy: 1.3181188207312202
Energy: 1.4891406034015329
Energy: 1.242101630616128
Energy: 1.4810797361385537
Energy: 1.2421016306173152
Energy: 1.4891403872874542
Energy: 1.2421016306173152
Energy: 1.4809660458912548
Energy: 1.3888636662372489
Energy: 1.4809619347396321
Energy: 1.3888636662360618
Energy: 1.4809660458912548
Energy: 1.3888636662372489
Energy: 1.4810762781956806
Energy: 1.242101630616128
Energy: 1.4950356205987771
Energy: 1.242101630616128
Energy: 1.4810762781944933
Energy: 1.242101630616128
Energy: 1.493692946935757
Energy: 1.3181204125078283
Energy: 1.6927421406615084
Energy: 1.3181204125078283
Energy: 1.493692946935757
Energy: 1.3181204125078283
Energy: 1.4798941931210583
Energy: 1.2921726838693535
Energy: 1.4951607132814217
Energy: 1.2921726838681666
Energy: 1.4798941931222456
Energy: 1.2921726838681666
Energy: 1.4825787331840818
Energy: 1.3886213484974872
Energy: 1.610659615548519
Energy: 1.3886213484986747
Energy: 1.4825787331828948
Energy: 1.3886213484986747
Energy: 1.49357219136929
Energy: 1.3187094144663172
Energy: 1.4810735540296849
Energy: 1.3187094144675044
Energy: 1.4935721913681028
Energy: 1.3187094144663172
Energy: 1.4944970610115296
Energy: 1.3186741162161864
Energy: 1.4809355467586756
Energy: 1.3186741162161864
Energy: 1.4944970610127168
Energy: 1.3186741162161864
Energy: 1.5926014671807864
Energy: 1.3886895646052881
Energy: 1.4938095297405443
Energy: 1.3886895646052881
Energy: 1.5926014671819737
Energy: 1.3886895646052881
Energy: 1.4803890695876032
Energy: 1.2920658535497418
Energy: 1.4959017692050711
Energy: 1.2920658535497418
Energy: 1.4803890695876032
Energy: 1.2920658535497418
Energy: 1.6974558717699075
Energy: 1.3180728282643965
Energy: 1.4953806824405638
Energy: 1.3180728282643965
Energy: 1.69745587176872
Energy: 1.3180728282643965
Energy: 1.480808887209742
Energy: 1.3198985180749387
Energy: 1.4814026554450432
Energy: 1.3198985180761258
Energy: 1.480808887208555
Energy: 1.3198985180761258
Energy: 1.5051045883106524
Energy: 1.3887902759141428
Energy: 1.6876165610185914
Energy: 1.3887902759165174
Energy: 1.505104541595501
Energy: 1.3887902759165174

minimum gb energy = 1.242101630616128 eV
minimum distance =  2.30832229869099 Angstroms
sigma value = 33


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

Energy: 1.689617182838918
Energy: 1.4740273305908362
Energy: 1.5808252560990053
Energy: 1.4740273305915117
Energy: 1.6896171828375672
Energy: 1.4740273305915117
Energy: 1.564866027565591
Energy: 1.3827072447805953
Energy: 1.5717971486397324
Energy: 1.3827072447805953
Energy: 1.5648664663749141
Energy: 1.3827072447805953
Energy: 1.582360283527138
Energy: 1.4743645875655786
Energy: 1.5651381883382811
Energy: 1.474364587566254
Energy: 1.5823602835278132
Energy: 1.474364587566254
Energy: 1.5732870101027299
Energy: 1.3622991665241375
Energy: 1.5714633014871795
Energy: 1.3622991665241375
Energy: 1.573287010103405
Energy: 1.3622991665241375
Energy: 1.5718871000292693
Energy: 1.4253308765663417
Energy: 1.572034278839355
Energy: 1.4253308765656663
Energy: 1.571887100021872
Energy: 1.4253308765656663
Energy: 1.5648463903442242
Energy: 1.4259407175678431
Energy: 1.5822441819263757
Energy: 1.4259407175671681
Energy: 1.5648474164899375
Energy: 1.4259407175671681
Energy: 1.5671269143685682
Energy: 1.4257724892928074
Energy: 1.5949186687785517
Energy: 1.425772489294158
Energy: 1.567126914325351
Energy: 1.425772489294158
Energy: 1.5929812004265231
Energy: 1.4255510414649146
Energy: 1.5875728590315472
Energy: 1.4255510414655899
Energy: 1.592981200425848
Energy: 1.4255510414649146
Energy: 1.5736117788234854
Energy: 1.3625476213642966
Energy: 1.565222687304644
Energy: 1.3625476213636214
Energy: 1.5736117788268613
Energy: 1.3625476213642966
Energy: 1.6926224829766985
Energy: 1.4745928855086052
Energy: 1.6976392382776928
Energy: 1.4745928855099555
Energy: 1.6926224829766985
Energy: 1.4745928855099555
Energy: 1.5647976053006334
Energy: 1.3375617915112086
Energy: 1.5777584011175283
Energy: 1.3375617915112086
Energy: 1.564801199591899
Energy: 1.3375617915112086
Energy: 1.878399190593393
Energy: 1.4254548602667647
Energy: 1.6709778670668762
Energy: 1.4254548602674402
Energy: 1.8783991905940682
Energy: 1.4254548602667647
Energy: 1.5721979947145817
Energy: 1.4007128095899748
Energy: 1.5652244124634191
Energy: 1.4007128095886243
Energy: 1.572405389846045
Energy: 1.4007128095886243
Energy: 1.5922752901951052
Energy: 1.4743529795659867
Energy: 1.5654101395307307
Energy: 1.4743529795646364
Energy: 1.592275290197131
Energy: 1.4743529795653116
Energy: 1.5699873808297269
Energy: 1.4257191310923076
Energy: 1.5760200526625416
Energy: 1.4257191310923076
Energy: 1.5699887247146747
Energy: 1.4257191310923076
Energy: 1.5702577512493048
Energy: 1.425318675304129
Energy: 1.6711883980752094
Energy: 1.4253186753027784
Energy: 1.5702577548097698
Energy: 1.4253186753034535
Energy: 1.8082307029108855
Energy: 1.425751224267856
Energy: 1.6977429922001197
Energy: 1.4257512242685313
Energy: 1.8082307029115299
Energy: 1.4257512242685313
Energy: 1.8066443203264355
Energy: 1.3826828035974108
Energy: 1.5763845474105054
Energy: 1.382682803598086
Energy: 1.8066443203264355
Energy: 1.382682803598086
Energy: 1.5937809781068324
Energy: 1.4254231220663316
Energy: 1.5876716467193954
Energy: 1.4254231220663316
Energy: 1.5937809781041312
Energy: 1.4254231220656561
Energy: 1.571694882068444
Energy: 1.3625473976607658
Energy: 1.5653749972929316
Energy: 1.362547397661441
Energy: 1.5716973662953804
Energy: 1.3625473976607658
Energy: 1.8737852916636077
Energy: 1.4744423622515765
Energy: 1.5817391174305842
Energy: 1.4744423622528964
Energy: 1.8737852916636077
Energy: 1.4744423622528964
Energy: 1.5659177257441905
Energy: 1.3371946548431743
Energy: 1.5717252726372142
Energy: 1.3371946548424993
Energy: 1.5659177515454774
Energy: 1.3371946548424993
Energy: 1.6983408238317195
Energy: 1.4254195773452718
Energy: 1.5982737572860555
Energy: 1.4254195773459468
Energy: 1.6983408238310442
Energy: 1.4254195773459468
Energy: 1.5716945915533442
Energy: 1.3823124241371387
Energy: 1.5719055432549218
Energy: 1.382312424135788
Energy: 1.5717000240251882
Energy: 1.382312424135788
Energy: 1.5832901324480004
Energy: 1.4258663015618398
Energy: 1.5679600344688764
Energy: 1.4258663015618398
Energy: 1.5832901324473254
Energy: 1.4258663015618398
Energy: 1.56237436444359
Energy: 1.473985656466092
Energy: 1.6110642603732814
Energy: 1.4739856564647418
Energy: 1.562374360863573
Energy: 1.4739856564647418
Energy: 1.5623156341524378
Energy: 1.4740186393442103
Energy: 1.5994371957253233
Energy: 1.4740186393448858
Energy: 1.562315637756734
Energy: 1.474018639345561
Energy: 1.5835959335966425
Energy: 1.4258436276465558
Energy: 1.5677563808685964
Energy: 1.4258436276479063
Energy: 1.5835959335939414
Energy: 1.4258436276472308
Energy: 1.5716653975843622
Energy: 1.3823216425003215
Energy: 1.5719194480067624
Energy: 1.3823216425003215
Energy: 1.5715030522789253
Energy: 1.3823216425003215
Energy: 1.6983345861125136
Energy: 1.4254199131101304
Energy: 1.5681771721171953
Energy: 1.4254199131101304
Energy: 1.6983345861118384
Energy: 1.4254199131101304
Energy: 1.5658992663821252
Energy: 1.337194654839829
Energy: 1.5716027454844834
Energy: 1.337194654839829
Energy: 1.5659016398416359
Energy: 1.337194654839829
Energy: 1.8737560078396804
Energy: 1.4744756181631282
Energy: 1.581771614199727
Energy: 1.474475618161778
Energy: 1.873756007839005
Energy: 1.474475618161778
Energy: 1.5719573727227572
Energy: 1.3625628003870374
Energy: 1.565411161095191
Energy: 1.3625628003883878
Energy: 1.5717796046485577
Energy: 1.362562800389063
Energy: 1.5937786832255934
Energy: 1.425418702766
Energy: 1.569198067380228
Energy: 1.4254187027666754
Energy: 1.593778683224918
Energy: 1.4254187027673506
Energy: 1.806646290655339
Energy: 1.3826534496377
Energy: 1.581621299644417
Energy: 1.3826534496377
Energy: 1.806646290655339
Energy: 1.3826534496383753
Energy: 1.8082124097762478
Energy: 1.4257454276609387
Energy: 1.6977418310408021
Energy: 1.4257454276602635
Energy: 1.808212409776923
Energy: 1.4257454276602635
Energy: 1.5706585637755965
Energy: 1.4253148805119795
Energy: 1.6394411340268646
Energy: 1.425314880511304
Energy: 1.5706585656371528
Energy: 1.425314880511304
Energy: 1.5704979442883331
Energy: 1.4255508726570787
Energy: 1.5761304244042353
Energy: 1.4255508726557282
Energy: 1.5704969886374605
Energy: 1.4255508726557282
Energy: 1.5922735375706034
Energy: 1.4743470127912162
Energy: 1.565622344746622
Energy: 1.4743470127918914
Energy: 1.592273537569253
Energy: 1.4743470127918914
Energy: 1.5723584909441388
Energy: 1.400719892630016
Energy: 1.5651827228083754
Energy: 1.4007198926306914
Energy: 1.5723327815235908
Energy: 1.4007198926306914
Energy: 1.8783916729558496
Energy: 1.4254464206544706
Energy: 1.6398676190840513
Energy: 1.425446420655146
Energy: 1.8783916729551744
Energy: 1.425446420655146

minimum gb energy = 1.337194654839829 eV
minimum distance =  2.2984266520352 Angstroms
sigma value = 51


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

Energy: 2.145867826548062
Energy: 1.5212002636938826
Energy: 1.590488679315938
Energy: 1.5212002636923183
Energy: 2.145867826548062
Energy: 1.5212002636923183
Energy: 1.578841761938819
Energy: 1.3939785624181371
Energy: 1.8404552474160911
Energy: 1.3939785624181371
Energy: 1.578841761938819
Energy: 1.3939785624196663
Energy: 1.5917119008236995
Energy: 1.5211929188476905
Energy: 1.8078122957664118
Energy: 1.5211929188492554
Energy: 1.5917119431550077
Energy: 1.5211929188492554
Energy: 1.5730331317818615
Energy: 1.3942516959605864
Energy: 1.8388627720553277
Energy: 1.3942516959621514
Energy: 1.5730331317818615
Energy: 1.3942516959621514
Energy: 1.5735512255382644
Energy: 1.3936697796659376
Energy: 1.7165441601048137
Energy: 1.3936697796675024
Energy: 1.5735512255257478
Energy: 1.3936697796675024
Energy: 1.848956267167664
Energy: 1.393771844375927
Energy: 1.8352918672785203
Energy: 1.393771844375927
Energy: 1.8489562671692288
Energy: 1.393771844375927
Energy: 1.8504979151662742
Energy: 1.3940188347164746
Energy: 1.716169110127715
Energy: 1.39401883471491
Energy: 1.8504979151662742
Energy: 1.3940188347133455
Energy: 1.5735063819238013
Energy: 1.3935333977517157
Energy: 1.5826616848204624
Energy: 1.393533397748622
Energy: 1.5735063819222366
Energy: 1.393533397748622
Energy: 1.850979177787495
Energy: 1.2749340655052406
Energy: 1.5860216748229146
Energy: 1.2749340655036758
Energy: 1.850979177787495
Energy: 1.2749340655036758
Energy: 1.5737135831150557
Energy: 1.5211986191923152
Energy: 1.5827149726645469
Energy: 1.5211986191907505
Energy: 1.5737135831150557
Energy: 1.5211986191907505
Energy: 1.8508827962647054
Energy: 1.394341580209633
Energy: 1.8357613966090949
Energy: 1.394341580209633
Energy: 1.8508827962647054
Energy: 1.3943415802111978
Energy: 1.8482834452581955
Energy: 1.5212363470638925
Energy: 1.8349852269447775
Energy: 1.5212363470623282
Energy: 1.848283445256631
Energy: 1.5212363470623282
Energy: 1.7127243642585206
Energy: 1.3941866984686884
Energy: 1.8353996042394196
Energy: 1.3941866984686884
Energy: 1.7127243642585206
Energy: 1.394186698470253
Energy: 1.5737977155582266
Energy: 1.5213251395222152
Energy: 1.8329631402185773
Energy: 1.5213251395237797
Energy: 1.573797715556662
Energy: 1.5213251395237797
Energy: 1.574613923561716
Energy: 1.5214415461487318
Energy: 1.8348522587099698
Energy: 1.5214415461487318
Energy: 1.5746139235601513
Energy: 1.5214415461487318
Energy: 1.5918172499280616
Energy: 1.3941071093324167
Energy: 1.8333764293194348
Energy: 1.3941071093339812
Energy: 1.5918172499280616
Energy: 1.3941071093324167
Energy: 1.848605916012235
Energy: 1.5214146071390553
Energy: 1.8391049281651757
Energy: 1.5214146071390553
Energy: 1.848605916012235
Energy: 1.5214146071390553
Energy: 1.8508866592991429
Energy: 1.394566410467409
Energy: 1.83171563155679
Energy: 1.3945664104642799
Energy: 1.8508866592991429
Energy: 1.3945664104627151

minimum gb energy = 1.2749340655036758 eV
minimum distance =  2.29754962043447 Angstroms
sigma value = 19


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

Energy: 2.209317577599188
Energy: 1.5135479146150708
Energy: 1.7044923010932942
Energy: 1.5135479146150708
Energy: 2.209317577599188
Energy: 1.5135479146150708
Energy: 1.7209010241039007
Energy: 1.4169976284723311
Energy: 1.7274804587422083
Energy: 1.4169976284723311
Energy: 1.7209010241048288
Energy: 1.4169976284723311
Energy: 1.7448385909969182
Energy: 1.5132551841260562
Energy: 1.726119790149293
Energy: 1.5132551841260562
Energy: 1.7448385909969182
Energy: 1.5132551841260562
Energy: 1.7643605617872395
Energy: 1.4161962049818397
Energy: 1.7271024448586954
Energy: 1.416196204983696
Energy: 1.7643605617853835
Energy: 1.416196204983696
Energy: 1.7448693158572086
Energy: 1.5134797591465523
Energy: 1.726394714876301
Energy: 1.5134797591465523
Energy: 1.744881738245098
Energy: 1.5134797591465523
Energy: 1.7264832236152572
Energy: 1.5134747244308173
Energy: 1.7449737862768637
Energy: 1.5134747244317452
Energy: 1.7264832236134011
Energy: 1.5134747244317452
Energy: 1.727194760759522
Energy: 1.4162524970392107
Energy: 1.7469761235249206
Energy: 1.416252497040139
Energy: 1.727194760759522
Energy: 1.4162524970392107
Energy: 1.7260309985995776
Energy: 1.5132510241258206
Energy: 1.744806620785303
Energy: 1.5132510241258206
Energy: 1.7260309985995776
Energy: 1.5132510241258206
Energy: 1.7273157874483056
Energy: 1.4169683820816656
Energy: 1.7258471178749204
Energy: 1.4169683820816656
Energy: 1.7273157874464498
Energy: 1.4169683820807377
Energy: 1.76018795364396
Energy: 1.5135479146150708
Energy: 2.209317577599188
Energy: 1.5135479146150708
Energy: 1.76018795364396
Energy: 1.5135479146150708
Energy: 1.7274804587394241
Energy: 1.416997628473259
Energy: 1.7209010241057567
Energy: 1.4169976284723311
Energy: 1.7274804587403523
Energy: 1.4169976284723311
Energy: 1.726119790149293
Energy: 1.5132551841260562
Energy: 1.7448385909978463
Energy: 1.5132551841260562
Energy: 1.726119790149293
Energy: 1.5132551841260562
Energy: 1.7271024448586954
Energy: 1.4161962049827679
Energy: 1.7459802589977584
Energy: 1.4161962049827679
Energy: 1.7271024448586954
Energy: 1.4161962049827679
Energy: 1.7263947148735168
Energy: 1.5134797591465523
Energy: 1.744900940540362
Energy: 1.5134797591456242
Energy: 1.7263947148753729
Energy: 1.5134797591456242
Energy: 1.7449546937860296
Energy: 1.5134747244317452
Energy: 1.7509837950050011
Energy: 1.5134747244317452
Energy: 1.744977710564204
Energy: 1.5134747244317452
Energy: 1.752311540226532
Energy: 1.416252497040139
Energy: 1.727194760759522
Energy: 1.4162524970392107
Energy: 1.7523054374167821
Energy: 1.4162524970392107
Energy: 1.744806620785303
Energy: 1.5132510241258206
Energy: 1.7260309985986497
Energy: 1.5132510241248924
Energy: 1.744806620785303
Energy: 1.5132510241258206
Energy: 1.7258471178758483
Energy: 1.4169683820816656
Energy: 1.7273157874473777
Energy: 1.4169683820807377
Energy: 1.7258471178758483
Energy: 1.4169683820807377
Energy: 2.209317577599188
Energy: 1.5135479146150708
Energy: 1.76018795364396
Energy: 1.5135479146150708
Energy: 2.209317577599188
Energy: 1.5135479146150708
Energy: 1.7209010241048288
Energy: 1.4169976284723311
Energy: 1.7274804587422083
Energy: 1.4169976284723311
Energy: 1.7209010241066849
Energy: 1.4169976284723311
Energy: 1.7448385909959903
Energy: 1.5132551841260562
Energy: 1.726119790149293
Energy: 1.5132551841260562
Energy: 1.7448385909969182
Energy: 1.5132551841260562
Energy: 1.7459802589986866
Energy: 1.416196204983696
Energy: 1.7271024448577674
Energy: 1.4161962049827679
Energy: 1.7459802589968305
Energy: 1.4161962049827679
Energy: 1.7448843383765218
Energy: 1.5134797591474802
Energy: 1.7263947148753729
Energy: 1.5134797591465523
Energy: 1.7448832881221727
Energy: 1.5134797591465523
Energy: 1.7359459573387175
Energy: 1.5134747244317452
Energy: 1.7449751358282026
Energy: 1.5134747244317452
Energy: 1.7359459573368614
Energy: 1.5134747244317452
Energy: 1.72719476076045
Energy: 1.416252497040139
Energy: 1.752307658438704
Energy: 1.4162524970392107
Energy: 1.727194760759522
Energy: 1.4162524970392107
Energy: 1.7260309985986497
Energy: 1.5132510241258206
Energy: 1.7448066207862312
Energy: 1.5132510241258206
Energy: 1.7260309986005058
Energy: 1.5132510241258206
Energy: 1.7273157874483056
Energy: 1.4169683820816656
Energy: 1.7258471178758483
Energy: 1.4169683820816656
Energy: 1.7273157874464498
Energy: 1.4169683820816656
Energy: 1.7601879536448881
Energy: 1.5135479146150708
Energy: 2.209317577599188
Energy: 1.5135479146150708
Energy: 1.7601879536448881
Energy: 1.5135479146150708
Energy: 1.7274804587412802
Energy: 1.4169976284723311
Energy: 1.7209010241048288
Energy: 1.4169976284723311
Energy: 1.7274804587394241
Energy: 1.4169976284723311
Energy: 1.726119790149293
Energy: 1.5132551841260562
Energy: 1.7448385909969182
Energy: 1.5132551841260562
Energy: 1.726119790149293
Energy: 1.5132551841260562

minimum gb energy = 1.4161962049818397 eV
minimum distance =  2.29111522106097 Angstroms
sigma value = 27


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

Energy: 1.7209241114910476
Energy: 1.262745082782724
Energy: 1.8172488249587675
Energy: 1.2627450827824915
Energy: 1.7209241114906084
Energy: 1.262745082782724
Energy: 1.7156728051246044
Energy: 1.263685715063117
Energy: 1.728450696478176
Energy: 1.2636857150624454
Energy: 1.7156728051243717
Energy: 1.2636857150626781
Energy: 1.7462767566789887
Energy: 1.5364752797460144
Energy: 1.728818861623187
Energy: 1.5364752797455494
Energy: 1.7462767566789887
Energy: 1.5364752797455494
Energy: 1.7155000511011793
Energy: 1.2641654743589417
Energy: 1.728709751933644
Energy: 1.2641654743600783
Energy: 1.7155000511007144
Energy: 1.2641654743598714
Energy: 1.7286376163932946
Energy: 1.263146918639938
Energy: 1.7280693906476239
Energy: 1.2631469186397313
Energy: 1.7286376163930879
Energy: 1.2631469186397313
Energy: 1.7277557896266782
Energy: 1.5360334813787675
Energy: 1.7273186509613416
Energy: 1.5360334813783025
Energy: 1.727755789625748
Energy: 1.5360334813787675
Energy: 1.7406849923268655
Energy: 1.2652224881190421
Energy: 1.7285623226501299
Energy: 1.2652224881185772
Energy: 1.7406849923275372
Energy: 1.2652224881181122
Energy: 1.715373615512552
Energy: 1.2631726259960636
Energy: 1.7294308527601465
Energy: 1.2631726259962706
Energy: 1.7153736155129913
Energy: 1.2631726259962706
Energy: 1.7298636547108335
Energy: 1.2647707090632594
Energy: 1.7168341109027252
Energy: 1.2647707090632594
Energy: 1.7298636547103945
Energy: 1.264770709063492
Energy: 1.7337466802162125
Energy: 1.535482201474652
Energy: 1.7337358628441988
Energy: 1.5354822014748586
Energy: 1.7337466802162125
Energy: 1.535482201475091
Energy: 1.716260774510291
Energy: 1.2649666518490337
Energy: 1.7299077486596572
Energy: 1.2649666518485945
Energy: 1.716260774511221
Energy: 1.2649666518490337
Energy: 1.7287036837385144
Energy: 1.2632314436130974
Energy: 1.715349292547625
Energy: 1.2632314436126322
Energy: 1.7287036837376102
Energy: 1.2632314436130974

minimum gb energy = 1.2627450827824915 eV
minimum distance =  2.29899755189315 Angstroms
sigma value = 9


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

Energy: 1.7277515915054174
Energy: 1.5931218925764987
Energy: 1.7395782527960268
Energy: 1.593121892575221
Energy: 1.7277515915047785
Energy: 1.593121892575221
Energy: 1.7388303172708004
Energy: 1.4877564357827264
Energy: 1.7318248676921295
Energy: 1.4392770178538437
Energy: 1.7388303172695228
Energy: 1.5391445227859417
Energy: 1.7667501418846976
Energy: 1.5952260017356927
Energy: 1.731764836160651
Energy: 1.5952260017356927
Energy: 1.7667501418846976
Energy: 1.5952260017350541
Energy: 1.7405227329558866
Energy: 1.5384062291625846
Energy: 1.7269160130525611
Energy: 1.5384062291632234
Energy: 1.740522732955248
Energy: 1.5384062291632234
Energy: 1.7361902485031984
Energy: 1.5388589802813892
Energy: 1.6846266199819513
Energy: 1.5388589802807504
Energy: 1.7361902485038372
Energy: 1.5388589802813892
Energy: 1.7345484503276793
Energy: 1.6460470409371128
Energy: 1.7274418248725536
Energy: 1.6460470409403065
Energy: 1.7345484503276793
Energy: 1.6252908556250911
Energy: 1.7558498216461254
Energy: 1.536832371152953
Energy: 1.7268732477432638
Energy: 1.536832371152953
Energy: 1.7558498216474028
Energy: 1.536832371152953
Energy: 1.725110057385141
Energy: 1.5381400534810619
Energy: 1.7361325696971097
Energy: 1.5381400534817007
Energy: 1.7251100573857798
Energy: 1.5381400534810619
Energy: 1.7369401175834025
Energy: 1.5982600394573663
Energy: 1.7308009945252767
Energy: 1.598260039458644
Energy: 1.73694011758468
Energy: 1.598260039458644
Energy: 1.724891914364061
Energy: 1.5944729979810528
Energy: 1.7419520412875187
Energy: 1.5944729979816916
Energy: 1.7248919143653387
Energy: 1.5944729979810528
Energy: 1.687595853774846
Energy: 1.4858794646873548
Energy: 1.7313634838238914
Energy: 1.4858794646886322
Energy: 1.6875958537742075
Energy: 1.4858794646886322
Energy: 1.728512543321941
Energy: 1.5378843581936439
Energy: 1.7265776912323407
Energy: 1.5378843581923662
Energy: 1.728512543321941
Energy: 1.5378843581923662
Energy: 1.7345105274917865
Energy: 1.6610984811547551
Energy: 1.7311833122490272
Energy: 1.6610984811547551
Energy: 1.7345105274917865
Energy: 1.6610984811547551
Energy: 1.759710675541546
Energy: 1.594430224165651
Energy: 1.7285402326936743
Energy: 1.5944302241650121
Energy: 1.759710675541546
Energy: 1.5944302241643735
Energy: 1.7290808650413112
Energy: 1.5373613216237874
Energy: 1.7310808864180705
Energy: 1.537361321625065
Energy: 1.7290808650406724
Energy: 1.537361321625065
Energy: 1.7375153352986874
Energy: 1.4846584992966048
Energy: 1.7267182778921442
Energy: 1.484658499295966
Energy: 1.737515335299326
Energy: 1.484658499295966
Energy: 1.7244092664884063
Energy: 1.5939739211269515
Energy: 1.7452521605744817
Energy: 1.5939739211263126
Energy: 1.7244092664877675
Energy: 1.5939739211263126
Energy: 1.729520506655238
Energy: 1.6264282581753478
Energy: 1.7305772653273819
Energy: 1.6264282581753478
Energy: 1.729520506654599
Energy: 1.6264282581753478
Energy: 1.7253461737471576
Energy: 1.5939328412444136
Energy: 1.733888454632663
Energy: 1.593932841243136
Energy: 1.7253461737465188
Energy: 1.593932841243136
Energy: 1.7320035389313286
Energy: 1.6342217911307628
Energy: 1.7319841890884844
Energy: 1.634221791130124
Energy: 1.7320035389319675
Energy: 1.634221791130124
Energy: 1.733884885550484
Energy: 1.5939081902101067
Energy: 1.7252312681959348
Energy: 1.5939081902101067
Energy: 1.7338848855511226
Energy: 1.5939081902101067
Energy: 1.7306374772720692
Energy: 1.6264379742416524
Energy: 1.7295447630793097
Energy: 1.6264379742410136
Energy: 1.7306374772714304
Energy: 1.6264379742403747
Energy: 1.7452475572259327
Energy: 1.5940176896571008
Energy: 1.7243065180239716
Energy: 1.5940176896564622
Energy: 1.7452475572246553
Energy: 1.5940176896564622
Energy: 1.7264705604229804
Energy: 1.4846677728053619
Energy: 1.7375563837551935
Energy: 1.484667772804723
Energy: 1.7264705604223416
Energy: 1.484667772804723
Energy: 1.7311966712258824
Energy: 1.5373587608815982
Energy: 1.7291481600996368
Energy: 1.5373587608815982
Energy: 1.7311966712252438
Energy: 1.5373587608815982
Energy: 1.7282347021354902
Energy: 1.5944155377364881
Energy: 1.7583820670231456
Energy: 1.5944155377377656
Energy: 1.7282347021348514
Energy: 1.594415537737127
Energy: 1.7313705517812028
Energy: 1.6611126752256424
Energy: 1.7345050932923427
Energy: 1.6611126752243648
Energy: 1.7313705517818416
Energy: 1.6611126752243648
Energy: 1.7265787406128228
Energy: 1.5378979261219468
Energy: 1.728726951364467
Energy: 1.5378979261206691
Energy: 1.726578740612184
Energy: 1.537897926121308
Energy: 1.7318601084130762
Energy: 1.48587487861223
Energy: 1.7443023883710218
Energy: 1.4858748786109528
Energy: 1.7318601084130762
Energy: 1.4858748786115914
Energy: 1.7419431722441743
Energy: 1.5944657889061082
Energy: 1.7249696235391367
Energy: 1.594465788906747
Energy: 1.7419431722441743
Energy: 1.5944657889061082
Energy: 1.7395453868374868
Energy: 1.5982600394567277
Energy: 1.7368628831599597
Energy: 1.5982600394560889
Energy: 1.739545386836848
Energy: 1.5982600394567277
Energy: 1.736155491732701
Energy: 1.5378668257435548
Energy: 1.7251504489619678
Energy: 1.5378668257435548
Energy: 1.7361554917333395
Energy: 1.5378668257435548
Energy: 1.7268706435778567
Energy: 1.5368122350878168
Energy: 1.7417371088393387
Energy: 1.5368122350878168
Energy: 1.7268706435784953
Energy: 1.5368122350878168
Energy: 1.727559571114897
Energy: 1.6627404382744493
Energy: 1.7345701911055187
Energy: 1.6627404382750879
Energy: 1.7275595711142582
Energy: 1.6627404382757267
Energy: 1.7311995916715588
Energy: 1.538887683533033
Energy: 1.7362814698662816
Energy: 1.5388876835323941
Energy: 1.73119959167092
Energy: 1.5388876835323941
Energy: 1.7268064392326414
Energy: 1.5384513709235192
Energy: 1.740552165000848
Energy: 1.5384513709228804
Energy: 1.726806439231364
Energy: 1.5384513709228804
Energy: 1.7318501228161522
Energy: 1.5952510600376146
Energy: 1.7665708047591175
Energy: 1.5952510600382532
Energy: 1.7318501228161522
Energy: 1.5952510600382532
Energy: 1.7318702538355764
Energy: 1.4392770178480951
Energy: 1.7386626515857968
Energy: 1.4392770178480951
Energy: 1.7318702538349375
Energy: 1.4392770178480951
Energy: 1.840275549750038
Energy: 1.5931218925764987
Energy: 1.7277515915066948
Energy: 1.5931218925764987
Energy: 1.8402755497506764
Energy: 1.5931218925764987
Energy: 1.731824867692768
Energy: 1.5391445227865805
Energy: 1.7388303172701616
Energy: 1.5391445227865805
Energy: 1.7318248676921295
Energy: 1.5391445227865805
Energy: 1.7317648361587346
Energy: 1.5952260017344153
Energy: 1.766750141885336
Energy: 1.5952260017356927
Energy: 1.731764836158096
Energy: 1.5952260017350541
Energy: 1.7269160130538386
Energy: 1.5384062291625846
Energy: 1.7405227329539705
Energy: 1.5384062291625846
Energy: 1.7269160130544774
Energy: 1.5384062291632234
Energy: 1.7279360865076543
Energy: 1.5388589802794728
Energy: 1.7361902485051148
Energy: 1.5388589802794728
Energy: 1.7279360865076543
Energy: 1.5388589802794728

minimum gb energy = 1.4392770178480951 eV
minimum distance =  2.26770735369735 Angstroms
sigma value = 57


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

Energy: 1.6253964790446465
Energy: 1.6244710673068783
Energy: 1.6189483620946994
Energy: 1.6244710673068783
Energy: 1.6253964790446465
Energy: 1.6244710673054241
Energy: 1.5586833624283738
Energy: 1.4079462529793865
Energy: 1.5832928513985756
Energy: 1.4079462529793865
Energy: 1.5586833624283738
Energy: 1.4079462529793865
Energy: 1.5356120354860836
Energy: 1.5109944629327026
Energy: 1.5663815867302227
Energy: 1.5109944629341565
Energy: 1.5356120354860836
Energy: 1.5109944629341565
Energy: 1.5908972254861744
Energy: 1.5008172603419172
Energy: 1.5837864928259422
Energy: 1.5008172603419172
Energy: 1.5908972254861744
Energy: 1.500817260340463
Energy: 1.5921413735444838
Energy: 1.6246017822845242
Energy: 1.582848577729474
Energy: 1.6246017822845242
Energy: 1.5921413735459378
Energy: 1.6246017822845242
Energy: 1.5870269139467987
Energy: 1.5114335848961877
Energy: 1.5401447074504084
Energy: 1.5114335848947338
Energy: 1.5870269139467987
Energy: 1.5114335848961877
Energy: 1.5870226006280828
Energy: 1.5112530433586213
Energy: 1.5403176304208066
Energy: 1.5112530433586213
Energy: 1.5870226006280828
Energy: 1.5112530433586213
Energy: 1.5921574658025641
Energy: 1.6245805611035613
Energy: 1.567210256059231
Energy: 1.6245805611021076
Energy: 1.5921574658025641
Energy: 1.6245805611035613
Energy: 1.5907747424211214
Energy: 1.5008277539665729
Energy: 1.5834955292323258
Energy: 1.5008277539665729
Energy: 1.5907747424211214
Energy: 1.5008277539665729
Energy: 1.535600446669961
Energy: 1.511008527844952
Energy: 1.5663891151909632
Energy: 1.511008527844952
Energy: 1.535600446669961
Energy: 1.511008527844952
Energy: 1.5587470835850552
Energy: 1.4079462529779325
Energy: 1.5834294518302905
Energy: 1.4079462529764786
Energy: 1.5587470835850552
Energy: 1.4079462529750246
Energy: 1.6253964790446465
Energy: 1.6244710673068783
Energy: 1.6107210166996828
Energy: 1.6244710673068783
Energy: 1.6253964790431927
Energy: 1.6244710673068783
Energy: 1.5586833624283738
Energy: 1.4079462529793865
Energy: 1.5524223317297485
Energy: 1.4079462529793865
Energy: 1.5586833624283738
Energy: 1.4079462529793865
Energy: 1.5356120354846297
Energy: 1.5109944629341565
Energy: 1.5663815867302227
Energy: 1.5109944629327026
Energy: 1.5356120354860836
Energy: 1.5109944629327026
Energy: 1.5908972254861744
Energy: 1.5008172603419172
Energy: 1.5675712558063444
Energy: 1.5008172603419172
Energy: 1.5908972254861744
Energy: 1.5008172603419172
Energy: 1.5921413735444838
Energy: 1.6246017822845242
Energy: 1.5527544242568618
Energy: 1.6246017822845242
Energy: 1.5921413735444838
Energy: 1.6246017822845242
Energy: 1.5870269139467987
Energy: 1.5114335848961877
Energy: 1.5401447074504084
Energy: 1.5114335848961877
Energy: 1.5870269139467987
Energy: 1.5114335848961877
Energy: 1.587022600629537
Energy: 1.5112530433586213
Energy: 1.5403176304222608
Energy: 1.5112530433586213
Energy: 1.5870226006280828
Energy: 1.5112530433586213
Energy: 1.5921574658025641
Energy: 1.6245805611021076
Energy: 1.567210256059231
Energy: 1.6245805611035613
Energy: 1.5921574658025641
Energy: 1.6245805611035613

minimum gb energy = 1.4079462529750246 eV
minimum distance =  2.24325049670472 Angstroms
sigma value = 11


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

Energy: 1.3105698710314453
Energy: 1.54055007433937
Energy: -0.23496424193700813
Energy: 1.54055007433937
Energy: 1.3105698710314453
Energy: 1.54055007433937
Energy: 1.3093486844476097
Energy: 1.3750290762889443
Energy: 1.3111076822905352
Energy: 1.3750290762868143
Energy: 1.3093486844476097
Energy: 1.3750290762868143
Energy: 1.3388268322116208
Energy: 1.4598659175791684
Energy: 1.355827379167727
Energy: 1.4598659175791684
Energy: 1.3388268322105557
Energy: 1.4598659175791684
Energy: 1.3279511942825943
Energy: 1.4080591890823608
Energy: 1.3113115455554527
Energy: 1.408059189081296
Energy: 1.3279511942825943
Energy: 1.408059189081296
Energy: 1.3076509982647146
Energy: 1.539601619011203
Energy: 1.3387846488162873
Energy: 1.5396016190101378
Energy: 1.3076509982636495
Energy: 1.5396016190101378
Energy: 1.3510067553826015
Energy: 1.4855781487282818
Energy: 1.3110502072341692
Energy: 1.4855781487293467
Energy: 1.3510067553815364
Energy: 1.4855781487293467
Energy: 1.3522125355050774
Energy: 1.4602792641225981
Energy: 1.3099530670849204
Energy: 1.4602792641194027
Energy: 1.3522125355050774
Energy: 1.460279264121533
Energy: 1.3525467761088423
Energy: 1.5397924377810084
Energy: 1.293659314208614
Energy: 1.5397924377810084
Energy: 1.3525467761077772
Energy: 1.5397924377810084
Energy: 1.353674208186356
Energy: 1.5392018214836578
Energy: 0.024001653981767856
Energy: 1.5392018214847227
Energy: 1.3536742081874211
Energy: 1.5392018214847227
Energy: 1.3513423998990477
Energy: 1.4586665778245385
Energy: 1.311318035150889
Energy: 1.4586665778245385
Energy: 1.3513423998990477
Energy: 1.4586665778245385
Energy: 1.3519141990918389
Energy: 1.4850017170348269
Energy: 1.309739771382154
Energy: 1.4850017170348269
Energy: 1.3519141990918389
Energy: 1.4850017170348269
Energy: 1.307495228540742
Energy: 1.5402338606016113
Energy: 1.3122361920619692
Energy: 1.5402338606005461
Energy: 1.3074952285418069
Energy: 1.5402338606005461
Energy: 1.349610234593271
Energy: 1.407822619759634
Energy: 1.3302464109193195
Energy: 1.407822619757504
Energy: 1.3496102345943364
Energy: 1.407822619757504
Energy: 1.3097437014862348
Energy: 1.4582988528884848
Energy: 1.3574077027105684
Energy: 1.4582988528884848
Energy: 1.3097437014820228
Energy: 1.4582988528895502
Energy: 1.3088443100504594
Energy: 1.3743355332470324
Energy: 1.309458670364503
Energy: 1.3743355332470324
Energy: 1.3088443100504594
Energy: 1.3743355332480975
Energy: 1.3073045720115486
Energy: 1.541071989173733
Energy: 1.3491275731161085
Energy: 1.541071989173733
Energy: 1.3073045720115486
Energy: 1.541071989173733
Energy: 1.3264641425025165
Energy: 1.375900040655439
Energy: 1.3306122435454806
Energy: 1.375900040654374
Energy: 1.3264641425025165
Energy: 1.375900040655439
Energy: 1.310024479813211
Energy: 1.315609317463245
Energy: 1.3566750115066255
Energy: 1.3156093176058694
Energy: 1.310024479814276
Energy: 1.315609317663384
Energy: 1.3270414425279382
Energy: 1.4095306248096975
Energy: 1.309711979267402
Energy: 1.4095306248107626
Energy: 1.3270414425279382
Energy: 1.4095306248096975
Energy: 1.3073797716204565
Energy: 1.5395225127510934
Energy: 1.3505822792216027
Energy: 1.5395225127521586
Energy: 1.3073797716193916
Energy: 1.5395225127532235
Energy: 1.3978000025221409
Energy: 1.4862471525942647
Energy: 1.3145949732094762
Energy: 1.4862471525931993
Energy: 1.3978000025221409
Energy: 1.4862471525921344
Energy: 1.3514481472166562
Energy: 1.3133767092888504
Energy: 1.3088379546533142
Energy: 1.313376709199432
Energy: 1.3514481472166562
Energy: 1.3133767093208029
Energy: 1.3507318077193424
Energy: 1.5409572016535262
Energy: 1.2949871568893156
Energy: 1.5409572016545916
Energy: 1.3507318077182773
Energy: 1.5409572016545916
Energy: 1.3077839120450272
Energy: 1.5042720036049606
Energy: 1.3081583788453754
Energy: 1.504272003603944
Energy: 1.3077839120460921
Energy: 1.5042720036049606
Energy: 1.3505129962506146
Energy: 1.3133332048157067
Energy: 1.314110366785936
Energy: 1.3133332048039912
Energy: 1.3505129962506146
Energy: 1.3133332048210322
Energy: 1.3511983531146392
Energy: 1.483034165628638
Energy: 1.3087347371563745
Energy: 1.4830341656307686
Energy: 1.3511983531146392
Energy: 1.4830341656307686

minimum gb energy = -0.23496424193700813 eV
minimum distance =  2.28620920500181 Angstroms
sigma value = 41


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

Energy: 1.63617936994853
Energy: 1.458916370244416
Energy: 1.1920265566408845
Energy: 1.458916370244416
Energy: 1.6361793699493694
Energy: 1.458916370244416
Energy: 1.1330723837691137
Energy: 1.223729365236201
Energy: 1.1338096250125973
Energy: 1.223729365236201
Energy: 1.1330723837691137
Energy: 1.223729365236201
Energy: 1.110861443416555
Energy: 1.395262325726027
Energy: 1.1841019883729527
Energy: 1.395262325726027
Energy: 1.110861443416555
Energy: 1.395262325726027
Energy: 1.156738365012347
Energy: 1.1854245474886418
Energy: 1.134069898673039
Energy: 1.1854245474886418
Energy: 1.156738365012347
Energy: 1.1854245474878022
Energy: 1.1472123035499642
Energy: 1.1466635634945226
Energy: 1.1851362624477948
Energy: 1.146663563493683
Energy: 1.1472123035499642
Energy: 1.1466635634945226
Energy: 1.186297224560011
Energy: 1.3427685920348191
Energy: 1.1341155747076277
Energy: 1.3427685920348191
Energy: 1.1862972245608505
Energy: 1.3427685920348191
Energy: 1.1316795515994678
Energy: 1.3951878897605996
Energy: 1.132749612345736
Energy: 1.3951878897605996
Energy: 1.1316795515994678
Energy: 1.3951878897605996
Energy: 1.1989429956631092
Energy: 1.3944728786446259
Energy: 1.0945965652871419
Energy: 1.3944728786446259
Energy: 1.19894299566227
Energy: 1.3944728786446259
Energy: 1.1887116340605515
Energy: 1.1452896011272835
Energy: 1.1316677542506166
Energy: 1.1452896011272835
Energy: 1.1887116340605515
Energy: 1.1452896011272835
Energy: 1.1836037196708187
Energy: 1.395791718048065
Energy: 1.0903215510764175
Energy: 1.395791718048065
Energy: 1.18360371966914
Energy: 1.395791718048065
Energy: 1.1834347695956786
Energy: 1.3960009928791086
Energy: 1.5950531627977724
Energy: 1.3960009928791086
Energy: 1.1834347695956786
Energy: 1.396000992879948
Energy: 1.1875555814894823
Energy: 1.394535926768288
Energy: 1.0942880856861699
Energy: 1.4318425913865227
Energy: 1.1875555814894823
Energy: 1.394535926768288
Energy: 1.1885998981325392
Energy: 1.3454743893935155
Energy: 1.1333847270599167
Energy: 1.3454743893935155
Energy: 1.1885998981325392
Energy: 1.3454743893935155
Energy: 1.1323102855256681
Energy: 1.3957690790025463
Energy: 1.1345087075726046
Energy: 1.3957690790025463
Energy: 1.1323102855256681
Energy: 1.3957690790025463
Energy: 1.1866721389186807
Energy: 1.341327234685546
Energy: 1.13259319619432
Energy: 1.341327234685546
Energy: 1.1866721389186807
Energy: 1.341327234685546
Energy: 1.1426128252096988
Energy: 1.4151567668956977
Energy: 1.134001243532589
Energy: 1.431727818427833
Energy: 1.1426128252105383
Energy: 1.3944655340486305
Energy: 1.1315617127259703
Energy: 1.2977309392158922
Energy: 1.186132844284597
Energy: 1.2977309392158922
Energy: 1.1315617127259703
Energy: 1.2977309392158922
Energy: 1.1088610881699383
Energy: 1.3957415087890324
Energy: 1.18880893415082
Energy: 1.3957415087890324
Energy: 1.1088610881690986
Energy: 1.3957415087890324
Energy: 1.133832240833707
Energy: 1.221192565719711
Energy: 1.1324291714713903
Energy: 1.221192565719711
Energy: 1.1338322408345465
Energy: 1.221192565719711
Energy: 1.097343266487137
Energy: 1.394221216330505
Energy: 1.1844459258985538
Energy: 1.4318149485687657
Energy: 1.0973432664854579
Energy: 1.394221216330505
Energy: 1.1221542875932444
Energy: 1.2325796301586418
Energy: 1.1858580433067676
Energy: 1.2325796301594814
Energy: 1.1221542875932444
Energy: 1.2325796301586418
Energy: 1.1084198314613218
Energy: 1.3958084861826863
Energy: 1.1871677239307987
Energy: 1.3958084861835258
Energy: 1.1084198314613218
Energy: 1.3958084861826863
Energy: 1.1834414064220582
Energy: 1.1883260075512043
Energy: 1.132211131062745
Energy: 1.1883260075503648
Energy: 1.1834414064212189
Energy: 1.1883260075503648
Energy: 1.1422266802000258
Energy: 1.347133661276487
Energy: 1.1851476645851953
Energy: 1.2834771788882908
Energy: 1.1422266802000258
Energy: 1.347133661276487
Energy: 1.186040206730647
Energy: 1.3459367912060203
Energy: 1.1371670581363953
Energy: 1.3459367912060203
Energy: 1.1860402067298075
Energy: 1.3459367912051807
Energy: 1.1319182568139576
Energy: 1.1870220495744226
Energy: 1.1330389102758336
Energy: 1.1870220495744226
Energy: 1.1319182568139576
Energy: 1.1518767345424281
Energy: 1.1995738012839914
Energy: 1.396105708910168
Energy: 1.0949900062656528
Energy: 1.396105708910168
Energy: 1.1995738012839914
Energy: 1.396105708910168
Energy: 1.1876770777221677
Energy: 1.345683785599451
Energy: 1.1314976434622674
Energy: 1.2839621294212604
Energy: 1.1876770777230072
Energy: 1.3456837856002906
Energy: 1.1838921486111953
Energy: 1.3960434299727589
Energy: 1.0930919335769553
Energy: 1.3960434299727589
Energy: 1.1838921486111953
Energy: 1.3960434299727589
Energy: 1.132184571141497
Energy: 1.1872964490148885
Energy: 1.0927411768958006
Energy: 1.1872964490132096
Energy: 1.132184571141497
Energy: 1.1872964490148885
Energy: 1.1849100677530122
Energy: 1.396087843206635
Energy: 1.094845209446005
Energy: 1.396087843206635
Energy: 1.1849100677530122
Energy: 1.396087843206635
Energy: 1.1873222690501977
Energy: 1.362416468970547
Energy: 1.1314015331195257
Energy: 1.3624164689697076
Energy: 1.1873222690501977
Energy: 1.3624164689697076
Energy: 1.133051544321871
Energy: 1.39603997254105
Energy: 1.1374054101327284
Energy: 1.39603997254105
Energy: 1.133051544321871
Energy: 1.39603997254105

minimum gb energy = 1.0903215510764175 eV
minimum distance =  2.28525605228385 Angstroms
sigma value = 33


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

Energy: 1.2583306649782333
Energy: 1.1818254192223487
Energy: 0.9759994723148058
Energy: 1.1818254192235274
Energy: 1.2583306649782333
Energy: 1.1818254192235274
Energy: 0.9131378663466999
Energy: 0.9713064673082626
Energy: 0.9302056893643058
Energy: 0.9713064673100301
Energy: 0.9131378663195993
Energy: 0.9713064673094409
Energy: 1.2670861804859102
Energy: 1.188597031879028
Energy: 0.9694396525839518
Energy: 1.1885970318784387
Energy: 1.2670861804876774
Energy: 1.1885970318784387
Energy: 0.9217911660356853
Energy: 0.9615836571204832
Energy: 0.9302739712720711
Energy: 0.9615836571210723
Energy: 0.9217911660339181
Energy: 0.9615836571204832
Energy: 0.9019439982085036
Energy: 1.1618710461177102
Energy: -0.32105960129917904
Energy: 1.1618710461182993
Energy: 0.9019439982085036
Energy: 1.1618710461177102
Energy: 0.9309145407626691
Energy: 0.9601541642356705
Energy: 0.9303271838822308
Energy: 0.960154164233903
Energy: 0.9309145407626691
Energy: 0.960154164233903
Energy: 0.9136115762602627
Energy: 1.1576179379667229
Energy: 0.9310997113377848
Energy: 1.1576179379661338
Energy: 0.9136115762596736
Energy: 1.1576179379661338
Energy: 0.9444486083316451
Energy: 0.9310625928931129
Energy: 0.9110665168067591
Energy: 0.9310625928948802
Energy: 0.9444486083292885
Energy: 0.9310625928942912
Energy: 0.9109983887473773
Energy: 1.1615754179974744
Energy: 1.0993032027507892
Energy: 1.1615754179986528
Energy: 0.9109983887473773
Energy: 1.161575417999242
Energy: 0.9592818937287738
Energy: 1.164045670860221
Energy: 1.2488967211020403
Energy: 1.164045670859632
Energy: 0.9592818937275955
Energy: 1.164045670859632
Energy: 0.9304338706566064
Energy: 1.1576641870878435
Energy: 1.245401860054423
Energy: 1.1576641870884328
Energy: 0.9304338706566064
Energy: 1.1576641870884328
Energy: 0.9659479453994921
Energy: 1.1878674222234589
Energy: 1.2509874567182784
Energy: 1.1878674222234589
Energy: 0.965947945398903
Energy: 1.1878674222234589
Energy: 0.9322036948259976
Energy: 1.1618914275366274
Energy: 1.07567822078898
Energy: 1.1618914275366274
Energy: 0.9322036948259976
Energy: 1.1618914275366274
Energy: 1.1158678248901481
Energy: 1.191174829970612
Energy: 1.4857366491695463
Energy: 1.191174829970612
Energy: 1.1158678248907372
Energy: 1.191174829970612
Energy: 0.9590109446105414
Energy: 1.1578006731288306
Energy: 0.8927220347591229
Energy: 1.15780067312942
Energy: 0.9590109446111306
Energy: 1.15780067312942
Energy: 1.0939647289324659
Energy: 1.1876008377299028
Energy: 1.2510977671424182
Energy: 1.187600837728135
Energy: 1.0939647289324659
Energy: 1.187600837728135
Energy: 0.9325306518799525
Energy: 1.1621383126518245
Energy: 1.0757489469725428
Energy: 1.1621383126524139
Energy: 0.9325306518799525
Energy: 1.162138312653003
Energy: 0.9303356381419473
Energy: 1.191162540513833
Energy: 1.2490475490648691
Energy: 1.1911625405132438
Energy: 0.9303356381425364
Energy: 1.191162540513833
Energy: 0.9598745332221336
Energy: 1.1480279413022274
Energy: 1.2454187418414673
Energy: 1.1480279413034058
Energy: 0.9598745332221336
Energy: 1.1480279413034058
Energy: 0.9113098303101644
Energy: 1.1878285533248052
Energy: 0.9118103820654573
Energy: 1.1878285533253947
Energy: 0.9113098303113426
Energy: 1.1878285533248052
Energy: 0.9334295864396623
Energy: 1.1419312608353096
Energy: 0.22708202430128233
Energy: 1.1419312608347203
Energy: 0.9334295864308252
Energy: 1.1419312608353096
Energy: 0.9123844495935766
Energy: 1.1912602883048415
Energy: 0.9305039458626504
Energy: 1.1912602883042525
Energy: 0.9123844495929874
Energy: 1.1912602883048415
Energy: 0.930981635413053
Energy: 1.1293933098975686
Energy: 0.9304015899285932
Energy: 1.1293933098969795
Energy: 0.9309816354112856
Energy: 1.1293933098975686
Energy: 0.9017557288933451
Energy: 1.1879734487537468
Energy: 0.9309761470752016
Energy: 1.1879734487531575
Energy: 0.9017557288939342
Energy: 1.1879734487531575
Energy: 0.9124246699747827
Energy: 1.1417921235981636
Energy: 0.9211239012090013
Energy: 1.141792123598753
Energy: 0.9124246699730152
Energy: 1.141792123598753
Energy: 1.2396177990546873
Energy: 1.1914285977127517
Energy: 0.976716168857129
Energy: 1.1914285977115735
Energy: 1.2396177990552764
Energy: 1.1914285977115735
Energy: 0.9162581715004319
Energy: 0.9611663513180922
Energy: 0.9301315694615575
Energy: 0.9611663513186813
Energy: 0.9162581715293
Energy: 0.961166351317503
Energy: 1.2401695100548893
Energy: 1.1876999707140712
Energy: 0.9669149736701457
Energy: 1.1876999707134823
Energy: 1.2401695100566568
Energy: 1.1876999707134823
Energy: 0.909920341381506
Energy: 1.1410554346176691
Energy: 0.9212507018768692
Energy: 1.1410554346182584
Energy: 0.9099203413844517
Energy: 1.1410554346182584
Energy: 1.2396738085462635
Energy: 1.1914945757807145
Energy: 0.9648616237595855
Energy: 1.1914945757807145
Energy: 1.2396738085450854
Energy: 1.1914945757801254
Energy: 0.9408608269234576
Energy: 0.9637055136497156
Energy: 0.9302153113793353
Energy: 0.963705513651483
Energy: 0.9408608269240468
Energy: 0.9637055136520721
Energy: 0.9017039818590918
Energy: 1.16524860689194
Energy: 0.9592004578873572
Energy: 1.1652486068925292
Energy: 0.9017039818596809
Energy: 1.1652486068925292
Energy: 1.092524567209416
Energy: 1.1423665482475718
Energy: 0.9108610060799329
Energy: 1.14236654824875
Energy: 1.0925245672082378
Energy: 1.1423665482481606
Energy: 0.9121812522405941
Energy: 1.1583344921701098
Energy: 0.9593728737729712
Energy: 1.1583344921695207
Energy: 0.9121812522405941
Energy: 1.1583344921701098
Energy: 0.9594757795960542
Energy: 1.1583363114835183
Energy: 0.9124274690639166
Energy: 1.1583363114829293
Energy: 0.9594757795966433
Energy: 1.1583363114829293
Energy: 0.9108889259633371
Energy: 1.142392814020828
Energy: 1.0927135482113297
Energy: 1.1423928140202386
Energy: 0.9108889259627481
Energy: 1.1423928140196495
Energy: 0.9591137826159143
Energy: 1.1652318006063
Energy: 0.9014660588698772
Energy: 1.1652318006063
Energy: 0.9591137826147361
Energy: 1.1652318006063
Energy: 0.9302109714006674
Energy: 0.9640825360225944
Energy: 0.9411093345469628
Energy: 0.9640825360197023
Energy: 0.9302109714012567
Energy: 0.9640825360191131
Energy: 0.9648616237678336
Energy: 1.1914685501350282
Energy: 1.2397691414816003
Energy: 1.1914685501350282
Energy: 0.9648616237696009
Energy: 1.1914685501350282
Energy: 1.0942860041040698
Energy: 1.1410760242584779
Energy: 0.9102299500011546
Energy: 1.1410760242584779
Energy: 1.0942860041046587
Energy: 1.1410760242584779
Energy: 1.1192346718371924
Energy: 1.18788583303812
Energy: 1.2403904515978073
Energy: 1.1878858330392985
Energy: 1.119234671836014
Energy: 1.1878858330392985
Energy: 0.930337095054195
Energy: 0.9610393130548035
Energy: 0.9150865672467212
Energy: 0.9610393130542144
Energy: 0.9303370950547841
Energy: 0.9610393130542144
Energy: 0.9765988903241356
Energy: 1.1914615857049624
Energy: 1.239756152813043
Energy: 1.1914615857043733
Energy: 0.9765988903241356
Energy: 1.1914615857043733
Energy: 1.0946180239027115
Energy: 1.1415598974071355
Energy: 0.9129002319137056
Energy: 1.1415598974083137
Energy: 1.0946180239027115
Energy: 1.1415598974083137
Energy: 0.9309646882786945
Energy: 1.1880013254483641
Energy: 0.9017603883382016
Energy: 1.1880013254489532
Energy: 0.9309646882786945
Energy: 1.1880013254495425
Energy: 0.9304007355599117
Energy: 1.1293933099022817
Energy: 0.931055154898784
Energy: 1.1293933099016928
Energy: 0.9304007355599117
Energy: 1.1293933099016928
Energy: 0.9303386754713487
Energy: 1.1912675272745432
Energy: 0.9123717773049136
Energy: 1.191267527273954
Energy: 0.9303386754713487
Energy: 1.1912675272733648

minimum gb energy = -0.32105960129917904 eV
minimum distance =  2.30005522723368 Angstroms
sigma value = 67


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

Energy: 0.20583455773753284
Energy: 0.20472357791344642
Energy: -0.28036113156568027
Energy: 0.20472357791344642
Energy: 0.20583455773793558
Energy: 0.20472357791344642
Energy: 0.20930951661061048
Energy: -0.270400186522073
Energy: 0.23909465464074203
Energy: -0.270400186522073
Energy: 0.2093095166125792
Energy: -0.2704001865216926
Energy: 0.20583455773753284
Energy: 0.20472357791344642
Energy: 0.6474289930438804
Energy: 0.20472357791344642
Energy: 0.20583455773753284
Energy: 0.20472357791304377
Energy: 0.20930951661061048
Energy: -0.270400186522073
Energy: 0.239095967309788
Energy: -0.27040018652128994
Energy: 0.2093095166114159
Energy: -0.2704001865224757
Energy: 0.20583455773753284
Energy: 0.20472357791344642
Energy: -0.12798727706274415
Energy: 0.20472357791344642
Energy: 0.20583455773793558
Energy: 0.20472357791304377
Energy: 0.2093095166114159
Energy: -0.270400186522073
Energy: 0.2390923393081053
Energy: -0.2704001865224757
Energy: 0.2093095166117962
Energy: -0.2704001865216926
Energy: 0.20583455773753284
Energy: 0.20472357791344642
Energy: -0.11429991071782399
Energy: 0.20472357791304377
Energy: 0.20583455773793558
Energy: 0.20472357791304377

minimum gb energy = -0.28036113156568027 eV
minimum distance =  2.44419205559325 Angstroms
sigma value = 3


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

Energy: 1.2382725414620916
Energy: 1.1843311000176389
Energy: 1.0010809604374338
Energy: 1.1843311000187107
Energy: 1.2382725414829885
Energy: 1.1843311000187107
Energy: 0.8183351455459389
Energy: 0.8543569192716592
Energy: 0.8207330735758487
Energy: 0.8543569192695161
Energy: 0.8183351449728566
Energy: 0.8543569192695161
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Energy: 0.8152372149645994
Energy: 1.1469353137183314
Energy: 0.8218677225985342
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Energy: 1.1230571354584449
Energy: 0.9912160762694688
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Energy: 0.8332102758201146
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Energy: 1.1679314592178096
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Energy: 0.8332102758206504
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Energy: 0.8207906707950633
Energy: 0.8546995687179031
Energy: 0.8249938019097335
Energy: 0.8546995687179031
Energy: 0.820790670795599
Energy: 0.8546995687168314
Energy: 0.833046853502543
Energy: 1.1871796798612202
Energy: 1.1869499918309518
Energy: 1.1871796798622918
Energy: 0.8330468535030788
Energy: 1.1871796798622918
Energy: 0.8204820292530222
Energy: 0.85416422275599
Energy: 1.0166110737084155
Energy: 0.85416422275599
Energy: 0.8204820292524863
Energy: 0.8541642227554541
Energy: 0.8565607269497736
Energy: 1.1656196095810236
Energy: 1.1857905441700447
Energy: 1.165619609583167
Energy: 0.8565607269497736
Energy: 1.165619609583167
Energy: 0.8202712862984067
Energy: 0.8328086856831314
Energy: 1.0100832626792449
Energy: 0.8328086856820597
Energy: 0.8202712862978708
Energy: 0.8328086856820597
Energy: 0.833059981886325
Energy: 1.1468767937433655
Energy: 0.815585425884879
Energy: 1.1468767937428297
Energy: 0.8330599818852533
Energy: 1.1468767937428297
Energy: 0.8201423350139683
Energy: 1.1103040618306834
Energy: 0.9905722936669268
Energy: 1.1103040618306834
Energy: 0.8201423350145041
Energy: 1.1103040618306834
Energy: 1.1497005956198258
Energy: 1.1382096944357525
Energy: 0.8148441813246913
Energy: 1.1382096944352167
Energy: 1.1497005956208977
Energy: 1.1382096944346811

minimum gb energy = 0.8088176904300027 eV
minimum distance =  2.31150093154647 Angstroms
sigma value = 81


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

Energy: 1.0779517114645967
Energy: 1.434126879226915
Energy: 1.384696086589497
Energy: 1.4341268792261797
Energy: 1.0779517114712152
Energy: 1.4341268792261797
Energy: 1.0789427120988992
Energy: 0.9740997803023894
Energy: 0.930583990298822
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Energy: 1.0789427121121367
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Energy: 1.0718847928425455
Energy: 1.397790105679224
Energy: 1.0657775012776525
Energy: 1.3977901056777533
Energy: 1.0718847928425455
Energy: 1.3977901056777533
Energy: 1.0862223218873885
Energy: 1.051850807314735
Energy: 0.9254189910071436
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Energy: 1.0779685242306678
Energy: 1.3500878449975517
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Energy: 1.0732875999085016
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Energy: 1.2576113248352916
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Energy: 1.2576113248360268
Energy: 1.0652311863381339
Energy: 1.411517666887988
Energy: 1.0761500558594679
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Energy: 1.0651297441687322
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Energy: 0.9259755796691546
Energy: 1.4118362900002852
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Energy: 1.0712808460530023
Energy: 1.3925409041740304
Energy: 0.9396253377707133
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Energy: 1.071280846052267
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Energy: 1.0756160405825186
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Energy: 0.93980920442383
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Energy: 1.3926128607290742
Energy: 0.9391483163101124
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Energy: 1.0712093620212566
Energy: 1.4118544094701408
Energy: 0.9264870287831783
Energy: 1.41185440946867
Energy: 1.0712093620227274
Energy: 1.41185440946867
Energy: 1.0612307818174123
Energy: 1.38064543511876
Energy: 1.0703152436362608
Energy: 1.3806454351209665
Energy: 1.0612307818159412
Energy: 1.3806454351209665
Energy: 1.0623633919971898
Energy: 1.378920593213262
Energy: 1.0685641790775875
Energy: 1.3789205932184097
Energy: 1.0623633919979252
Energy: 1.3789205932184097
Energy: 1.064962734798905
Energy: 1.3517192419036552
Energy: 1.065713195891378
Energy: 1.3517192419058612
Energy: 1.0649627347996404
Energy: 1.3517192419058612
Energy: 1.0660142750309713
Energy: 1.411876192313795
Energy: 1.0767710472384175
Energy: 1.411876192315266
Energy: 1.0660142750316732
Energy: 1.411876192315266
Energy: 1.0731010246154937
Energy: 1.2576113248374643
Energy: 1.0602523898283458
Energy: 1.2576113248382
Energy: 1.0731010246154937
Energy: 1.2576113248382
Energy: 1.0733461502788295
Energy: 1.3919670036697156
Energy: 1.0744477550323286
Energy: 1.3919670036711864
Energy: 1.0733461502788295
Energy: 1.3919670036719216
Energy: 0.9297076781832383
Energy: 1.3410582685187686
Energy: 1.0681509560713423
Energy: 1.34105826852171
Energy: 0.9297076781839736
Energy: 1.34105826852171
Energy: 0.9396018407912604
Energy: 1.41111769477783
Energy: 0.9331354421718093
Energy: 1.4111176947793005
Energy: 0.9396018407912604
Energy: 1.4111176947793005
Energy: 0.9389291009611004
Energy: 1.0550354318333623
Energy: 0.9272158272228971
Energy: 1.0550354318347999
Energy: 0.9389291009603651
Energy: 1.0550354318347999
Energy: 0.4536256044049077
Energy: 1.3915038184230406
Energy: 1.0745013271316026
Energy: 1.3915038184215698
Energy: 0.45362560441005545
Energy: 1.3915038184215698
Energy: 0.9259581758664083
Energy: 1.1492715527395951
Energy: 1.0649089417549618
Energy: 1.1492715527373891
Energy: 0.9259581758664083
Energy: 1.1492715527381245
Energy: 1.0693523491658907
Energy: 1.3571317929350175
Energy: 1.0764677133965974
Energy: 1.3571317929328115
Energy: 1.0693523491658907
Energy: 1.3571317929328115
Energy: 1.1082211932678647
Energy: 1.3545146593413049
Energy: 1.060445693296055
Energy: 1.3545146593413049
Energy: 1.1082211932678647
Energy: 1.3545146593413049

minimum gb energy = 0.4536256044012306 eV
minimum distance =  2.27984216296626 Angstroms
sigma value = 43


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

Energy: 1.0009933695979931
Energy: 1.5715452567508605
Energy: 0.9799991223568328
Energy: 1.5715452567508605
Energy: 1.0009933695880568
Energy: 1.5715452567508605
Energy: 1.0036108192643027
Energy: 1.119209341706633
Energy: 1.0109366759291467
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Energy: 1.0036108192652062
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Energy: 0.9927655071166471
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Energy: 1.0407238739904534
Energy: 1.5122013108863646
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Energy: 1.5122013108854613
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Energy: 1.0027534997689092
Energy: 1.0018192903993637
Energy: 1.001350937399862
Energy: 1.0018192904002672
Energy: 1.0027534997698124
Energy: 1.0018192904002672
Energy: 1.0042775444205985
Energy: 1.5223675924837188
Energy: 1.18610877732773
Energy: 1.5223675924828155
Energy: 1.0042775444205985
Energy: 1.5223675924828155
Energy: 0.9973534284518297
Energy: 1.561718063830179
Energy: 1.039653009241924
Energy: 1.5617180638292758
Energy: 0.9973534284518297
Energy: 1.5617180638292758
Energy: 0.99445750700553
Energy: 1.5599173564607107
Energy: 1.039531681474474
Energy: 1.5599173564598074
Energy: 0.99445750700553
Energy: 1.5599173564607107
Energy: 1.0024526130730687
Energy: 1.5412855771130067
Energy: 1.0017583246331945
Energy: 1.5412855771139098
Energy: 1.0024526130730687
Energy: 1.5412855771139098
Energy: 1.0027292491224875
Energy: 1.6263207955476777
Energy: 1.0012502242397203
Energy: 1.6263207955476777
Energy: 1.0027292491224875
Energy: 1.6263207955476777
Energy: 1.0008822944765057
Energy: 1.514237789399922
Energy: 1.0399118524111508
Energy: 1.514237789399922
Energy: 1.0008822944765057
Energy: 1.514237789399922
Energy: 1.0007320021373047
Energy: 1.5590798103150336
Energy: 1.0131977867268724
Energy: 1.5590798103150336
Energy: 1.0007320021373047
Energy: 1.5590798103141303
Energy: 1.0394023178400327
Energy: 1.5402287884320232
Energy: 1.002145560463445
Energy: 1.5402287884320232
Energy: 1.0394023178400327
Energy: 1.5402287884320232
Energy: 1.0401838547453321
Energy: 1.6261097017775286
Energy: 0.9914855167282904
Energy: 1.626109701776625
Energy: 1.0401838547453321
Energy: 1.626109701776625
Energy: 1.000788377726628
Energy: 1.5357041206283533
Energy: 1.0018492435025383
Energy: 1.5357041206283533
Energy: 1.000788377726628
Energy: 1.5357041206283533
Energy: 1.0401588327970523
Energy: 1.5601468097861708
Energy: 1.0018063501167072
Energy: 1.560146809787074
Energy: 1.0401588327961488
Energy: 1.5601468097861708
Energy: 1.0395055470097425
Energy: 1.553230253141963
Energy: 0.9951353791154431
Energy: 1.553230253141963
Energy: 1.0395055470097425
Energy: 1.553230253141963
Energy: 1.119579103563972
Energy: 1.5203165742225697
Energy: 0.9927461427215366
Energy: 1.5203165742216664
Energy: 1.119579103563972
Energy: 1.5203165742216664
Energy: 1.0120401625773898
Energy: 1.0021696814075913
Energy: 1.0012309081630006
Energy: 1.0021696814075913
Energy: 1.0120401625773898
Energy: 1.0021696814084946
Energy: 1.0408210359625452
Energy: 1.5117124079505633
Energy: 1.011708394311315
Energy: 1.5117124079550595
Energy: 1.0408210359625452
Energy: 1.5117124079478534

minimum gb energy = 0.9799991223568328 eV
minimum distance =  2.29093298651783 Angstroms
sigma value = 57


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

Energy: 1.1698289574886218
Energy: 1.8013665498625486
Energy: 1.7754503516079787
Energy: 1.8013665498613791
Energy: 1.1698289574886218
Energy: 1.8013665498613791
Energy: 1.1186843877025285
Energy: 1.2548234456988243
Energy: 1.1338353503060803
Energy: 1.2548234456988243
Energy: 1.1186843877107155
Energy: 1.2548234456988243
Energy: 1.1332532794387884
Energy: 1.775669607320705
Energy: 1.1460084323689679
Energy: 1.775669607320705
Energy: 1.1332532794387884
Energy: 1.775669607320705
Energy: 1.1322445899409315
Energy: 1.1441126979718637
Energy: 1.1342640457008757
Energy: 1.1441126979706941
Energy: 1.1322445899409315
Energy: 1.1441126979706941
Energy: 1.1345974394525016
Energy: 1.1437355503627422
Energy: 1.1508881396013164
Energy: 1.143735550363912
Energy: 1.1345974394525016
Energy: 1.143735550363912
Energy: 1.1498931699634152
Energy: 1.7663151528966026
Energy: 1.1344633553024934
Energy: 1.7663151528954328
Energy: 1.1498931699634152
Energy: 1.7663151528966026
Energy: 1.145588951200575
Energy: 1.1464767745349487
Energy: 1.1220345883629257
Energy: 1.1464767745407967
Energy: 1.145588951200575
Energy: 1.1464767745337792
Energy: 1.1481965797062192
Energy: 1.794110284669253
Energy: 1.1698780998174907
Energy: 1.7941102846704227
Energy: 1.1481965797062192
Energy: 1.7941102846704227
Energy: 1.1349196086874724
Energy: 1.2540591809664174
Energy: 1.3661578854653613
Energy: 1.2540591809664174
Energy: 1.1349196086886422
Energy: 1.2540591809664174
Energy: 1.1479088057927185
Energy: 1.7664087401381214
Energy: 1.1337745414736213
Energy: 1.766408740139291
Energy: 1.1479088057927185
Energy: 1.766408740139291
Energy: 1.1457240744865695
Energy: 1.1445101049842015
Energy: 1.1473981363465477
Energy: 1.1445101049842015
Energy: 1.1457240744865695
Energy: 1.1445101049842015
Energy: 1.1210366054045275
Energy: 1.1215264495138797
Energy: 1.1353387728163193
Energy: 1.1215264495115405
Energy: 1.1210366054045275
Energy: 1.1215264495033799
Energy: 1.1349146835071158
Energy: 1.7655778181030382
Energy: 1.1850970906915541
Energy: 1.7655778181030382
Energy: 1.1349146835082853
Energy: 1.7655778181042079
Energy: 1.1230522867064796
Energy: 1.486504247457308
Energy: 1.1460227144240984
Energy: 1.4865042474561385
Energy: 1.12305228670531
Energy: 1.4865042474561385
Energy: 1.1202868738191902
Energy: 1.1200231740150028
Energy: 1.1466743409417532
Energy: 1.1200231740150028
Energy: 1.1202868738191902
Energy: 1.120023174019681
Energy: 1.1208772385948083
Energy: 1.797366155540405
Energy: 1.1355626873429676
Energy: 1.7973661555415745
Energy: 1.1208772385948083
Energy: 1.7973661555415745
Energy: 1.1358569944116095
Energy: 1.120336098204376
Energy: 1.146300473988202
Energy: 1.120336098198528
Energy: 1.135856994412779
Energy: 1.1203360981973585
Energy: 1.1462961268004586
Energy: 1.1899708839823173
Energy: 1.1462087809218822
Energy: 1.189970883768361
Energy: 1.1462961268004586
Energy: 1.1899708837812266
Energy: 1.146388524195649
Energy: 1.120446212200501
Energy: 1.1361010269697167
Energy: 1.1204462122016705
Energy: 1.146388524195649
Energy: 1.1204462122028402
Energy: 1.1355171853875268
Energy: 1.7969199315917852
Energy: 1.1209014593741211
Energy: 1.7969199315917852
Energy: 1.1355171853875268
Energy: 1.7969199315917852
Energy: 1.1466651653077327
Energy: 1.1201668494384815
Energy: 1.120442047935815
Energy: 1.1201668494373118
Energy: 1.1466651653077327
Energy: 1.1201668494373118
Energy: 1.1460366315964359
Energy: 1.5175859819011503
Energy: 1.1228897766848331
Energy: 1.5175859818999806
Energy: 1.1460366315964359
Energy: 1.5175859819011503
Energy: 1.1890809878681805
Energy: 1.7655628790303837
Energy: 1.135026923044561
Energy: 1.765562879029214
Energy: 1.189080987867011
Energy: 1.765562879029214
Energy: 1.135224445906755
Energy: 1.1219019456831385
Energy: 1.121094387959574
Energy: 1.121901945684308
Energy: 1.135224445906755
Energy: 1.121901945681969

minimum gb energy = 1.1186843877025285 eV
minimum distance =  2.33525230138703 Angstroms
sigma value = 17


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

Energy: 1.3416633402755473
Energy: 1.3304582349161551
Energy: 0.45635932207444996
Energy: 1.3304582349161551
Energy: 1.3416633402755473
Energy: 1.3304582349161551
Energy: 1.2848662848609544
Energy: 1.2914422005633581
Energy: 1.2934343829515142
Energy: 1.2914422005633581
Energy: 1.2848662848609544
Energy: 1.2914422005633581
Energy: 1.293298463919353
Energy: 1.2911078978885164
Energy: 1.2952147762458002
Energy: 1.2911078978868622
Energy: 1.293298463919353
Energy: 1.2911078978868622
Energy: 1.3006368320335677
Energy: 1.2911806607379115
Energy: 1.2939734862407668
Energy: 1.2911806607379115
Energy: 1.3006368320335677
Energy: 1.2911806607379115
Energy: 1.2928569832743364
Energy: 1.2912178295605607
Energy: 1.2974067514360472
Energy: 1.2912178295605607
Energy: 1.2928569832743364
Energy: 1.2912178295605607
Energy: 1.2990197026889774
Energy: 1.3290820008358217
Energy: 1.3418571960626025
Energy: 1.3290820008358217
Energy: 1.2990197026889774
Energy: 1.3290820008358217
Energy: 1.2930716207476196
Energy: 1.4803920421929584
Energy: 1.2843473681307747
Energy: 1.4803920421913042
Energy: 1.2930716207476196
Energy: 1.4803920421913042
Energy: 1.2980551594023881
Energy: 1.3277762247803684
Energy: 1.2939607511281894
Energy: 1.3277762247787142
Energy: 1.2980551594023881
Energy: 1.3277762247803684
Energy: 1.293074086564483
Energy: 1.2911638683287967
Energy: 1.4808944256857808
Energy: 1.2911638683287967
Energy: 1.293074086564483
Energy: 1.2911638683287967
Energy: 1.3283856621349384
Energy: 1.2835747369357238
Energy: 1.293723803371488
Energy: 1.2835747369357238
Energy: 1.3283856621349384
Energy: 1.2835747369340698
Energy: 1.345342700947988
Energy: 1.7541396322918514
Energy: 1.2972132794780233
Energy: 1.7541396322918514
Energy: 1.345342700947988
Energy: 1.7541396322918514
Energy: 1.2968559070125234
Energy: 1.2932743428032114
Energy: 1.2940839608561199
Energy: 1.2932743428032114
Energy: 1.2968559070125234
Energy: 1.2932743428032114
Energy: 1.2936190468776487
Energy: 1.4547709084795388
Energy: 1.296478495509084
Energy: 1.4547709084795388
Energy: 1.2936190468776487
Energy: 1.4547709084795388
Energy: 1.2961747639587702
Energy: 1.2920981104455718
Energy: 1.2941275192929016
Energy: 1.2920981104472258
Energy: 1.2961747639604244
Energy: 1.2920981104472258
Energy: 1.294116789506804
Energy: 1.7557350289533635
Energy: 1.333493231302021
Energy: 1.7557350289533635
Energy: 1.294116789506804
Energy: 1.7557350289550175
Energy: 1.2955841213571895
Energy: 1.7547024453684428
Energy: 1.3289694448658407
Energy: 1.7547024453684428
Energy: 1.2955841213588435
Energy: 1.7547024453684428
Energy: 1.2947415670403783
Energy: 1.2924318615831445
Energy: 1.2951886457673896
Energy: 1.2924318615831445
Energy: 1.2947415670403783
Energy: 1.2924318615831445

minimum gb energy = 0.45635932207444996 eV
minimum distance =  2.31319528780445 Angstroms
sigma value = 17


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

Energy: 2.063963570271072
Energy: 1.2533832228331587
Energy: 1.3274478158839975
Energy: 1.2533832228331587
Energy: 2.0639635702768206
Energy: 1.2533832228325201
Energy: 1.6543540357843345
Energy: 1.2338407819876824
Energy: 1.2311857469653498
Energy: 1.233840781986405
Energy: 1.6543540357843345
Energy: 1.233840781986405
Energy: 1.255983015961784
Energy: 1.408361700752091
Energy: 1.3255977532062637
Energy: 1.4083617007533684
Energy: 1.255983015961784
Energy: 1.4083617007533684
Energy: 1.237823455997864
Energy: 1.2307284545698125
Energy: 1.4286450981207695
Energy: 1.2307284545704513
Energy: 1.2378234559985026
Energy: 1.2307284545704513
Energy: 1.2315694540536841
Energy: 1.2651576427943145
Energy: 1.7219391737845444
Energy: 1.265157642793676
Energy: 1.231569454054323
Energy: 1.2651576427943145
Energy: 1.4230972958725334
Energy: 1.253955767537316
Energy: 1.4794508478769426
Energy: 1.2539557675385935
Energy: 1.4230972958731722
Energy: 1.253955767537955
Energy: 1.2318543946489702
Energy: 1.4148597912594205
Energy: 1.5966267713925393
Energy: 1.414859791257504
Energy: 1.2318543946489702
Energy: 1.414859791257504
Energy: 1.4163311355642791
Energy: 1.2308606837070966
Energy: 1.2314399564669187
Energy: 1.2308606837070966
Energy: 1.4163311355636403
Energy: 1.2308606837083742
Energy: 1.4803580223502066
Energy: 1.2537319869170245
Energy: 1.2368189793915108
Energy: 1.2537319869170245
Energy: 1.4803580223502066
Energy: 1.2537319869176633
Energy: 1.7042977703297186
Energy: 1.2918341238992324
Energy: 1.2323962560917792
Energy: 1.2918341238979547
Energy: 1.7042977703284414
Energy: 1.265710103073455
Energy: 1.4309127993230182
Energy: 1.6027774260176668
Energy: 1.4135637688097986
Energy: 1.6027774260163892
Energy: 1.430912799323657
Energy: 1.6027774260157506
Energy: 1.2360728545261304
Energy: 1.2346738819163143
Energy: 1.2584339078926658
Energy: 1.2346738819156755
Energy: 1.2360728545261304
Energy: 1.2346738819150367
Energy: 1.2328210331889509
Energy: 1.2390409038834935
Energy: 1.4653917241811227
Energy: 1.2390409038828547
Energy: 1.232821033188312
Energy: 1.2390409038828547
Energy: 1.2356666982441853
Energy: 1.4363640040340793
Energy: 1.6213552516740646
Energy: 1.4363640040334404
Energy: 1.2356666982454627
Energy: 1.4363640040328016
Energy: 1.2346933341640647
Energy: 1.8811956873315563
Energy: 1.415073613439784
Energy: 1.881195687332195
Energy: 1.2346933341640647
Energy: 1.881195687332195
Energy: 1.4387563103887542
Energy: 1.5899187785746565
Energy: 1.2593398667657552
Energy: 1.5899187785746565
Energy: 1.4387563103881154
Energy: 1.411852839925856
Energy: 1.43559713987385
Energy: 1.573699430729626
Energy: 1.2311776208201994
Energy: 1.5736994307302647
Energy: 1.43559713987385
Energy: 1.5736994307309033
Energy: 1.5736764240454681
Energy: 1.4091340278958295
Energy: 1.2352795290830956
Energy: 1.4091340279009392
Energy: 1.5736764248544008
Energy: 1.4091340278990232
Energy: 1.6536584190611667
Energy: 1.254359552922788
Energy: 1.233736793762978
Energy: 1.254359552922788
Energy: 1.6536584190611667
Energy: 1.2543595529221492
Energy: 1.2339460185800015
Energy: 1.6836149325640113
Energy: 1.2339188085062358
Energy: 1.6836149325640113
Energy: 1.2339460185793627
Energy: 1.8141841869139936
Energy: 1.233963963631314
Energy: 1.2543970792599295
Energy: 1.5229295799370008
Energy: 1.2543970792624843
Energy: 1.233963963631314
Energy: 1.254397079258652
Energy: 1.2352677937593872
Energy: 1.41020049809706
Energy: 1.5733611554153768
Energy: 1.410200498101531
Energy: 1.2352677937593872
Energy: 1.4102004980976988
Energy: 1.2316215491156788
Energy: 1.5736232435376305
Energy: 1.4355043204034867
Energy: 1.5736232435382693
Energy: 1.2316215491163176
Energy: 1.5736232435382693
Energy: 1.2593456487428643
Energy: 1.2314502319202707
Energy: 1.4387475788474369
Energy: 1.2314502319196319
Energy: 1.2593456487428643
Energy: 1.2314502319177159
Energy: 1.415081184761729
Energy: 1.8811916710247154
Energy: 1.229385032414823
Energy: 1.8811916710240766
Energy: 1.415081184761729
Energy: 1.8811916710240766
Energy: 1.622463564340049
Energy: 1.4362912187960233
Energy: 1.2356642137775187
Energy: 1.4362912187634476
Energy: 1.622463564320887
Energy: 1.4362912187787773
Energy: 1.4650809604147554
Energy: 1.2390835580110138
Energy: 1.2328423148420016
Energy: 1.2390835580116526
Energy: 1.4650809604147554
Energy: 1.2390835580116526
Energy: 1.2583137360542902
Energy: 1.2346854130469418
Energy: 1.2361038004885356
Energy: 1.2346854130469418
Energy: 1.2583137360542902
Energy: 1.2346854130475806
Energy: 1.4136463465244267
Energy: 1.6025047287260699
Energy: 1.431012121855081
Energy: 1.602504728727986
Energy: 1.4136463465244267
Energy: 1.6025047287286247
Energy: 1.2325908752748154
Energy: 1.2657101030728162
Energy: 1.7043850555069193
Energy: 1.2657101030715385
Energy: 1.2325908752741765
Energy: 1.2657101030715385
Energy: 1.236759505020148
Energy: 1.2535982146395916
Energy: 1.480060560307897
Energy: 1.2535982146383142
Energy: 1.236759505020148
Energy: 1.2535982146383142
Energy: 1.231450589360302
Energy: 1.2309265915780065
Energy: 1.4166988769246815
Energy: 1.2309265915780065
Energy: 1.231450589360302
Energy: 1.2309265915780065
Energy: 1.5968099736357333
Energy: 1.414786238687111
Energy: 1.231857179592131
Energy: 1.4147862386877499
Energy: 1.5968099736363721
Energy: 1.414786238687111
Energy: 1.478971766321505
Energy: 1.253958794616286
Energy: 1.423278650414238
Energy: 1.253958794616286
Energy: 1.4789717663227824
Energy: 1.2539587946156472
Energy: 1.7218778342997785
Energy: 1.265157642793676
Energy: 1.2315645802602784
Energy: 1.2651576427943145
Energy: 1.7218778342997785
Energy: 1.265157642793676
Energy: 1.4284595696857154
Energy: 1.2307259000793886
Energy: 1.2380242896994758
Energy: 1.2307259000793886
Energy: 1.4284595696857154
Energy: 1.2307259000793886
Energy: 1.325504264539143
Energy: 1.408388771347777
Energy: 1.2559911988969665
Energy: 1.4083887713471384
Energy: 1.3255042645372268
Energy: 1.408388771347777
Energy: 1.2311807287439347
Energy: 1.2338068517419354
Energy: 1.6541776153495507
Energy: 1.2338068517425742
Energy: 1.2311807287439347
Energy: 1.2338068517425742
Energy: 1.2484046356830627
Energy: 1.253383222835075
Energy: 2.063963570274904
Energy: 1.2533832228325201
Energy: 1.2484046356766754
Energy: 1.2533832228325201
Energy: 1.2311857469659884
Energy: 1.233840781986405
Energy: 1.6543540357843345
Energy: 1.2338407819851274
Energy: 1.2311857469659884
Energy: 1.2338407819857662
Energy: 1.3255977532113443
Energy: 1.4083617007527296
Energy: 1.2559830159624228
Energy: 1.4083617007527296
Energy: 1.3255977532113443
Energy: 1.4083617007527296
Energy: 1.4286450981214083
Energy: 1.2307284545698125
Energy: 1.2378234559985026
Energy: 1.2307284545704513
Energy: 1.4286450981207695
Energy: 1.2307284545704513
Energy: 1.7219391737845444
Energy: 1.265157642795592
Energy: 1.2315694540549615
Energy: 1.2651576427943145
Energy: 1.7219391737845444
Energy: 1.2651576427943145

minimum gb energy = 1.229385032414823 eV
minimum distance =  2.32427115169112 Angstroms
sigma value = 57


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

Energy: 1.5056498119352717
Energy: 1.1172723521258718
Energy: 1.4238021067257918
Energy: 1.117272352124832
Energy: 1.5056498119331916
Energy: 1.117272352124832
Energy: 1.3086298992914718
Energy: 1.104250515279357
Energy: 1.109569947392449
Energy: 1.1042505152772766
Energy: 1.308629899290432
Energy: 1.1042505152772766
Energy: 1.1208091164354168
Energy: 1.4305557765234111
Energy: 1.1019047314954011
Energy: 1.430555776526531
Energy: 1.120809116434377
Energy: 1.4305557765275712
Energy: 1.4286890294829437
Energy: 1.4382835577420938
Energy: 1.4569943923798547
Energy: 1.4382835577400137
Energy: 1.428689029481904
Energy: 1.4382835577389737
Energy: 1.1207346121425035
Energy: 1.1489502521465926
Energy: 1.4418271937583724
Energy: 1.1489502521445125
Energy: 1.1207346121425035
Energy: 1.1489502521445125
Energy: 1.4280811348050968
Energy: 1.439029576210029
Energy: 1.4375282906002904
Energy: 1.439029576214189
Energy: 1.4280811348050968
Energy: 1.439029576213149
Energy: 1.1205582796126539
Energy: 1.4294773124690938
Energy: 1.106125386375293
Energy: 1.4294773124701337
Energy: 1.120558279613694
Energy: 1.4294773124701337
Energy: 1.114725469382378
Energy: 1.2640155243109228
Energy: 1.1095300672066848
Energy: 1.2640155243088427
Energy: 1.1147254693813378
Energy: 1.264015524309883
Energy: 1.5059962484141254
Energy: 1.1174036408390533
Energy: 1.1059571995070592
Energy: 1.1174036408452934
Energy: 1.505996248416205
Energy: 1.1174036408452934
Energy: 1.2636605314468004
Energy: 1.1031295327805102
Energy: 1.1091250865055189
Energy: 1.1031295327836304
Energy: 1.2636605314468004
Energy: 1.1031295327836304
Energy: 1.1203583572638798
Energy: 1.1158115784540497
Energy: 1.43962681499627
Energy: 1.1158115784550895
Energy: 1.12035835726284
Energy: 1.1158115784550895
Energy: 1.160634129985803
Energy: 1.439409857769895
Energy: 1.4376991965246666
Energy: 1.4394098577750953
Energy: 1.160634129985803
Energy: 1.4394098577761352
Energy: 1.1204816799882262
Energy: 1.4292236660281252
Energy: 1.4391188335369927
Energy: 1.4292236660302056
Energy: 1.1204816799871864
Energy: 1.4292236660302056
Energy: 1.4287307254197732
Energy: 1.1880827317203733
Energy: 1.4380901904697985
Energy: 1.1880827317141334
Energy: 1.4287307254197732
Energy: 1.1880827317141334
Energy: 1.1200037821477427
Energy: 1.430238528675727
Energy: 1.1086871213670972
Energy: 1.4302385286684471
Energy: 1.1200037821477427
Energy: 1.430238528670527
Energy: 1.1109341652868077
Energy: 1.3071247470599892
Energy: 1.1081818708253248
Energy: 1.3071247470620693
Energy: 1.1109341652868077
Energy: 1.3071247470620693
Energy: 1.505724014682972
Energy: 1.559626741935485
Energy: 1.1090067871363285
Energy: 1.559626741937565
Energy: 1.505724014682972
Energy: 1.559626741939645
Energy: 1.428723987448915
Energy: 1.4335290824954043
Energy: 1.1075220608943388
Energy: 1.4335290824974842
Energy: 1.4287239874478752
Energy: 1.4335290824974842
Energy: 1.1195944961059157
Energy: 1.1149401322935848
Energy: 1.4381113070097835
Energy: 1.1149401322905121
Energy: 1.1195944961079958
Energy: 1.1149401322905121
Energy: 1.4285180316565826
Energy: 1.6758472604716488
Energy: 1.4375142466093949
Energy: 1.675847260467489
Energy: 1.4285180316565826
Energy: 1.6758472604622887
Energy: 1.1196118621613125
Energy: 1.4309901022279072
Energy: 1.437671352750359
Energy: 1.4309901022258271
Energy: 1.1196118621592326
Energy: 1.4309901022258271
Energy: 1.1234489968391737
Energy: 1.1143778743342436
Energy: 1.4378431109916796
Energy: 1.1143778743363235
Energy: 1.1234489968402137
Energy: 1.1143778743352837
Energy: 1.1193761203857335
Energy: 1.4303003786664923
Energy: 1.1112650787730642
Energy: 1.4303003786612922
Energy: 1.1193761203867738
Energy: 1.4303003786633723
Energy: 1.5057045760384273
Energy: 1.3513063768227889
Energy: 1.110640779869854
Energy: 1.351306376817589
Energy: 1.5057045760384273
Energy: 1.351306376819669
Energy: 1.5062687288019112
Energy: 1.3500947187672419
Energy: 1.1077793067285704
Energy: 1.350094718766202
Energy: 1.5062687288019112
Energy: 1.350094718766202
Energy: 1.1195683486489891
Energy: 1.4306469111785205
Energy: 1.1099040084396015
Energy: 1.4306469111702003
Energy: 1.1195683486489891
Energy: 1.4306469111712403
Energy: 1.1223777193764102
Energy: 1.1136076310320797
Energy: 1.4376366711016846
Energy: 1.1136076310320797
Energy: 1.1223777193764102
Energy: 1.1136076310320797

minimum gb energy = 1.1019047314954011 eV
minimum distance =  2.39116493559924 Angstroms
sigma value = 43


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

Energy: 1.6547527949097613
Energy: 1.3718764260526815
Energy: 0.6429722696263301
Energy: 1.3718764260541971
Energy: 1.6547527949105192
Energy: 1.3718764260534393
Energy: 1.3468602458899877
Energy: 1.3174131347752214
Energy: 1.3225458461485902
Energy: 1.3174131347744635
Energy: 1.3468602458892298
Energy: 1.3174131347744635
Energy: 1.3216683024688156
Energy: 1.4967579451031823
Energy: 1.3587746707223722
Energy: 1.4967579451031823
Energy: 1.3216683024688156
Energy: 1.49675794510394
Energy: 1.412694869869752
Energy: 1.3211215770184197
Energy: 1.5603551382175684
Energy: 1.3211215770176623
Energy: 1.4126948698705097
Energy: 1.3211215770184197
Energy: 1.323011069100478
Energy: 1.3637585292998484
Energy: 1.4166071503168685
Energy: 1.3637585293006063
Energy: 1.323011069100478
Energy: 1.3637585292998484
Energy: 1.5070648738630208
Energy: 1.4994891300303768
Energy: 1.3741916876832359
Energy: 1.4994891300303768
Energy: 1.5070648738630208
Energy: 1.4994891300303768
Energy: 1.3749722408856266
Energy: 1.4985815923026942
Energy: 1.3194421162662329
Energy: 1.4985815923034522
Energy: 1.3749722408856266
Energy: 1.4985815923034522
Energy: 1.462386706239158
Energy: 1.3638059440286874
Energy: 1.3229924212926214
Energy: 1.3638059440279293
Energy: 1.462386706239158
Energy: 1.3638059440286874
Energy: 1.5601428481400965
Energy: 1.3214327028229618
Energy: 1.5012696563891588
Energy: 1.3214327028229618
Energy: 1.560142848139339
Energy: 1.3214327028214463
Energy: 1.6360344082927025
Energy: 1.496476776115331
Energy: 1.3238848583373835
Energy: 1.496476776115331
Energy: 1.6360344082927025
Energy: 1.496476776115331
Energy: 1.323944862437682
Energy: 1.4036769747977251
Energy: 1.463202790618746
Energy: 1.4036769747999984
Energy: 1.3239448624384398
Energy: 1.4036769747992408
Energy: 1.3190663310594433
Energy: 1.3725422383486507
Energy: 1.6441784756721314
Energy: 1.3725422383486507
Energy: 1.3190663310594433
Energy: 1.372542238347893
Energy: 1.323110263178411
Energy: 1.3173367941607002
Energy: 1.500661940778808
Energy: 1.3173367941614578
Energy: 1.323110263178411
Energy: 1.3173367941614578
Energy: 1.556254979212742
Energy: 1.3214806857792143
Energy: 1.3247605454166458
Energy: 1.3214806857784562
Energy: 1.556254979212742
Energy: 1.3214806857784562
Energy: 1.5533171181239247
Energy: 1.321985458735769
Energy: 1.319071706910827
Energy: 1.321985458735769
Energy: 1.5533171181231673
Energy: 1.321985458735769
Energy: 1.5036629015600524
Energy: 1.4961547082358835
Energy: 1.3241918537214468
Energy: 1.4961547082358835
Energy: 1.5036629015600524
Energy: 1.4961547082358835
Energy: 1.3763070518785687
Energy: 1.3723905693990315
Energy: 1.5031381772361334
Energy: 1.3723905693975162
Energy: 1.3763070518785687
Energy: 1.3723905693975162
Energy: 1.3192316720611215
Energy: 1.501197419592439
Energy: 1.3769499737351358
Energy: 1.5011974195931967
Energy: 1.3192316720611215
Energy: 1.5011974195939546
Energy: 1.3165032116024962
Energy: 1.3181494378738356
Energy: 1.555311206767151
Energy: 1.318149437873078
Energy: 1.3165032116024962
Energy: 1.3181494378738356
Energy: 1.3239996798111837
Energy: 1.4735046430484628
Energy: 1.5545169514610704
Energy: 1.4735046425341838
Energy: 1.3239996798111837
Energy: 1.473504642527364
Energy: 1.322143833837214
Energy: 1.4990795706678286
Energy: 1.3185197342175994
Energy: 1.4990795706678286
Energy: 1.322143833837214
Energy: 1.4990795706678286
Energy: 1.5566018367501469
Energy: 1.3412940432121934
Energy: 1.325017709859663
Energy: 1.3412940432114357
Energy: 1.556601836750905
Energy: 1.3412940432121934
Energy: 1.578543872889358
Energy: 1.3231253137281156
Energy: 1.319123118993404
Energy: 1.3231253137281156
Energy: 1.578543872886327
Energy: 1.3231253137288734
Energy: 1.3241188863034314
Energy: 1.7923420412743691
Energy: 1.3185286071341022
Energy: 1.7923420412743691
Energy: 1.324118886301916
Energy: 1.7923420412751268
Energy: 1.3219022356006542
Energy: 1.4729186256929174
Energy: 1.5556583168067275
Energy: 1.472918625694433
Energy: 1.3219022355998966
Energy: 1.4729186256951907
Energy: 1.3189901879496666
Energy: 1.323370892117253
Energy: 1.5561957574208487
Energy: 1.3233708921149796
Energy: 1.3189901879496666
Energy: 1.3233708921180107
Energy: 1.3151838860706968
Energy: 1.497878845896197
Energy: 1.5020430793871515
Energy: 1.497878845896197
Energy: 1.3151838860714546
Energy: 1.4978788458954395
Energy: 1.5029493196011294
Energy: 2.080850390508552
Energy: 1.5031898639982988
Energy: 2.0808503905100673
Energy: 1.5029493196011294
Energy: 2.0808503905100673
Energy: 1.5020322827834107
Energy: 1.4980497434672007
Energy: 1.3222203112530018
Energy: 1.498049743466443
Energy: 1.5020322827841683
Energy: 1.4980497434656854
Energy: 1.5560153857412549
Energy: 1.3233670805592193
Energy: 1.319005687943511
Energy: 1.323367080556946
Energy: 1.5560153857397394
Energy: 1.3233670805456141
Energy: 1.5572018839436
Energy: 1.4729104981580161
Energy: 1.3217463701103216
Energy: 1.4729104981580161
Energy: 1.5572018839436
Energy: 1.4729104981580161
Energy: 1.3186612275425191
Energy: 1.7923013134291934
Energy: 1.3238549872680627
Energy: 1.7923013134307086
Energy: 1.318661227541761
Energy: 1.7923013134307086
Energy: 1.319081544821447
Energy: 1.3232136823974368
Energy: 1.5541167820840054
Energy: 1.3232136823974368
Energy: 1.319081544821447
Energy: 1.3232136823981944
Energy: 1.325184470593977
Energy: 1.3412406970187094
Energy: 1.5556519340619543
Energy: 1.3412406970179516
Energy: 1.325184470593977
Energy: 1.3412406970187094
Energy: 1.3184985480763212
Energy: 1.4991178899477857
Energy: 1.321979926538132
Energy: 1.4991178899477857
Energy: 1.3184985480755633
Energy: 1.4991178899477857
Energy: 1.5547711899173229
Energy: 1.4735923936919477
Energy: 1.3241200594320046
Energy: 1.4735923936896744
Energy: 1.5547711899180807
Energy: 1.47359239369119

minimum gb energy = 0.6429722696263301 eV
minimum distance =  2.33246446723094 Angstroms
sigma value = 81


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

Energy: 1.4452301291916942
Energy: 1.4459260481382672
Energy: 2.962146594885952
Energy: 1.4459260481382672
Energy: 1.4452301291914411
Energy: 1.4459260481379823
Energy: 1.4452256717655318
Energy: 1.4454689507245837
Energy: 1.4457299636426046
Energy: 1.4454689507245837
Energy: 1.4452256717655318
Energy: 1.4454689507245837
Energy: 1.445709511600616
Energy: 1.445436562462841
Energy: 0.6563304850267663
Energy: 1.4454365624631256
Energy: 1.4457095116009007
Energy: 1.4454365624631256
Energy: 2.9621465948862364
Energy: 1.44592604813852
Energy: 1.4452301291916942
Energy: 1.44592604813852
Energy: 2.962146594885952
Energy: 1.4459260481379823
Energy: 1.4457299636426046
Energy: 1.4454689507245837
Energy: 1.4452256717658167
Energy: 1.4454689507245837
Energy: 1.4457299636426046
Energy: 1.445468950725438
Energy: 2.4571486616447125
Energy: 1.4454365624636951
Energy: 1.4457095116000465
Energy: 1.4454365624631256
Energy: 2.4571486616444274
Energy: 1.4454365624631256
Energy: 1.4452301291897642
Energy: 1.4459260481388048
Energy: 1.1103346482312897
Energy: 1.4459260481388048
Energy: 1.4452301291914411
Energy: 1.4459260481382672
Energy: 1.445225671766924
Energy: 1.4454689507251532
Energy: 1.4457299636426046
Energy: 1.4454689507245837
Energy: 1.4452256717686007
Energy: 1.4454689507242988
Energy: 1.445709511600616
Energy: 1.4454365624631256
Energy: 2.4571486616449976
Energy: 1.4454365624634105
Energy: 1.4457095116000465
Energy: 1.4454365624625563
Energy: 1.5813812518488934
Energy: 1.4459260481393743
Energy: 1.4452301291922636
Energy: 1.4459260481388048
Energy: 1.5813812518502854
Energy: 1.4459260481379823

minimum gb energy = 0.6563304850267663 eV
minimum distance =  2.30596096438533 Angstroms
sigma value = 3


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

Energy: 1.9750905745909841
Energy: 1.973311827438391
Energy: 1.6344471045057882
Energy: 1.9733118274392243
Energy: 1.9750905745909841
Energy: 1.9733118274392243
Energy: 0.7487688324290571
Energy: 1.220350652949811
Energy: 1.240579906269851
Energy: 1.220350652949811
Energy: 0.7652187400537822
Energy: 1.2203506529489778
Energy: 1.3192993256133534
Energy: 1.2899054824438705
Energy: 1.2854384834097659
Energy: 1.289905482445537
Energy: 1.3192993256133534
Energy: 1.289905482445537
Energy: 1.2904960748621535
Energy: 1.0960479335802904
Energy: 1.2254367240438235
Energy: 1.0960479335852895
Energy: 1.2904960748613201
Energy: 1.0960479335852895
Energy: 0.7534652552097955
Energy: 0.7672806178808492
Energy: 1.289717892421656
Energy: 0.7672806178658519
Energy: 0.7534652552131282
Energy: 0.767280617880016
Energy: 0.6343054767610569
Energy: 1.3757280172933386
Energy: 1.294352146896514
Energy: 1.375728017290006
Energy: 0.6343054751429114
Energy: 1.375728017290839
Energy: 0.7271145833152067
Energy: 0.7657268923790302
Energy: 0.26328801196911533
Energy: 0.7657268923756976
Energy: 0.7271145833177063
Energy: 0.7657268923765307
Energy: 0.764939391128963
Energy: 1.0069262919136235
Energy: 1.1479722637519267
Energy: 1.0069262919152897
Energy: 0.7649393911297963
Energy: 1.0069262919094577
Energy: 1.307939698058849
Energy: 1.3089816918498307
Energy: 1.9314071943148214
Energy: 1.308981691851497
Energy: 1.307939698058849
Energy: 1.308981691851497
Energy: 1.3069338833849118
Energy: 1.2047270614361416
Energy: 1.2510922515298133
Energy: 1.2047270614353085
Energy: 1.3069338833849118
Energy: 1.2047270614353085
Energy: 0.6862654500132256
Energy: 0.5885650536949905
Energy: 1.2023944135258315
Energy: 0.5885650536958236
Energy: 0.6862654341507259
Energy: 0.5885650536941573
Energy: 0.694968698546179
Energy: 1.1518552430302653
Energy: 1.245128786993111
Energy: 1.1518552430277655
Energy: 0.6949686967131682
Energy: 1.1518552430285987
Energy: 1.3068963096879873
Energy: 1.281353980929159
Energy: 1.2478429838944516
Energy: 1.2813539809316583
Energy: 1.306896309687154
Energy: 1.2813539809316583
Energy: 1.3062658928911222
Energy: 1.281646506269091
Energy: 1.1695843347354375
Energy: 1.2816465062715905
Energy: 1.3062658928911222
Energy: 1.2816465062707574
Energy: 0.7683324715490585
Energy: 0.5651961692340071
Energy: 1.1783101470178847
Energy: 0.5651961692315075
Energy: 0.7683324715498917
Energy: 0.5651961692306742
Energy: 0.7481380989401996
Energy: 1.1979725272443515
Energy: 1.2961583037813764
Energy: 1.1979725272451847
Energy: 0.7481380988835435
Energy: 1.1979725272451847
Energy: 0.7620297947432414
Energy: 1.1954909742701194
Energy: 1.2899080705865305
Energy: 1.1954909742692863
Energy: 0.7620297947440746
Energy: 1.1954909742692863
Energy: 0.7639809442089395
Energy: 0.5321399641479481
Energy: 1.1761662598511797
Energy: 0.5321399642687021
Energy: 0.7639809442106058
Energy: 0.5321399640788133
Energy: 1.3062315349524085
Energy: 1.2841967372862446
Energy: 1.1772793607926701
Energy: 1.284196737287911
Energy: 1.3062315349524085
Energy: 1.2841967372870777
Energy: 1.3067775566039819
Energy: 1.1974385965007028
Energy: 1.2491513128100749
Energy: 1.197438596501536
Energy: 1.3067775566039819
Energy: 1.197438596501536
Energy: 0.6750850824294936
Energy: 1.1662823334955672
Energy: 1.2489236549615206
Energy: 1.1662823334964005
Energy: 0.6750850825411016
Energy: 1.1662823334964005
Energy: 0.6941244166023223
Energy: 0.5653324050196353
Energy: 1.2032386008668563
Energy: 0.5653324050188022
Energy: 0.6941244152290175
Energy: 0.5653324050213017
Energy: 1.3069244595894065
Energy: 1.201315660308707
Energy: 1.245906801035167
Energy: 1.20131566030954
Energy: 1.3069244595885734
Energy: 1.2013156603103354
Energy: 1.3072380251478974
Energy: 1.2885333207460579
Energy: 1.932507877865037
Energy: 1.2885333207468912
Energy: 1.3072380251478974
Energy: 1.2885333207468912
Energy: 0.7339505587790446
Energy: 0.5303947455270345
Energy: 1.1711210693014338
Energy: 0.5303947455312004
Energy: 0.7339505588573253
Energy: 0.5303947455403464
Energy: 0.7292278338901088
Energy: 0.6617680377013133
Energy: 1.3781095502800327
Energy: 0.6617680376771512
Energy: 0.7292278338793153
Energy: 0.6617680377438053
Energy: 0.7308239831873955
Energy: 1.2003977605199059
Energy: 1.2949597778864241
Energy: 1.200397760520739
Energy: 0.7308239834630259
Energy: 1.2003977605215723
Energy: 0.7416355451990878
Energy: 0.5899363740966389
Energy: 1.2895087479031961
Energy: 0.5899363740958058
Energy: 0.7416355454988803
Energy: 0.5899363740958058
Energy: 1.2788316642078048
Energy: 0.9335072059578466
Energy: 1.1390140740550931
Energy: 0.933507205936184
Energy: 1.2788316642078048
Energy: 0.9335065886803694
Energy: 1.3190561189896335
Energy: 1.2881286836560872
Energy: 1.2881357672392264
Energy: 1.2881286836552541
Energy: 1.3190561189888004
Energy: 1.2881286836560872
Energy: 1.1547897432343701
Energy: 1.2039582219975256
Energy: 1.2535235484196023
Energy: 1.2039582219966924
Energy: 1.1547897432402023
Energy: 1.2039582219966924
Energy: 0.6810633669867329
Energy: 1.6395335229755468
Energy: 1.2017439303048072
Energy: 1.6395335229738806
Energy: 0.6810633093422436
Energy: 1.6395335229738806
Energy: 0.7659791017287367
Energy: 1.2201560097203141
Energy: 1.243531402737006
Energy: 1.2201560097211475
Energy: 0.7659791015721749
Energy: 1.2201560097211475

minimum gb energy = 0.26328801196911533 eV
minimum distance =  2.28770774621855 Angstroms
sigma value = 67


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

Energy: 1.272758502779505
Energy: 2.268969684545292
Energy: 1.1988407220707296
Energy: 2.268969684545292
Energy: 1.272758502779505
Energy: 2.268969684545292
Energy: 1.171907338450589
Energy: 1.1632257209552272
Energy: 1.1747431356476825
Energy: 1.1632257209552272
Energy: 1.171907338450589
Energy: 1.1632257209564145
Energy: 1.1568784118532003
Energy: 1.2516183806955326
Energy: 1.1770160399659335
Energy: 1.2516183806955326
Energy: 1.1568784118532003
Energy: 1.2516183806943455
Energy: 1.1661329383793155
Energy: 1.722232789036354
Energy: 1.1746353059665608
Energy: 1.7222327890387286
Energy: 1.1661329383816903
Energy: 1.722232789036354
Energy: 1.1755828678846003
Energy: 2.2714061743848744
Energy: 1.1699589182100862
Energy: 2.2714061743836873
Energy: 1.1755828678846003
Energy: 2.2714061743848744
Energy: 1.176848252323251
Energy: 1.1630787311392925
Energy: 1.1742733092139412
Energy: 1.1630787311404795
Energy: 1.1768482523244383
Energy: 1.1630787311381054
Energy: 1.1573974328959733
Energy: 1.1633167700740705
Energy: 1.1678646208534156
Energy: 1.1633167700740705
Energy: 1.1573974328947862
Energy: 1.1633167700740705
Energy: 1.1684999649914514
Energy: 1.755793395184536
Energy: 2.1567304181116995
Energy: 1.7557933951833484
Energy: 1.1684999649914514
Energy: 1.7557933951833484
Energy: 1.1658165883524965
Energy: 1.2061270728133624
Energy: 2.1480309824933976
Energy: 1.2061270728133624
Energy: 1.1658165883524965
Energy: 1.2061270728133624
Energy: 1.167264120990639
Energy: 1.1616484879817486
Energy: 1.16582269321471
Energy: 1.161648487980561
Energy: 1.167264120990639
Energy: 1.161648487980561
Energy: 1.1752918934370562
Energy: 1.1632619159767872
Energy: 1.1672294390441909
Energy: 1.1632619159767872
Energy: 1.1752918934370562
Energy: 1.1632619159767872
Energy: 1.175842532857206
Energy: 1.2226559785733107
Energy: 1.1758744468464082
Energy: 1.2226559785733107
Energy: 1.175842532857206
Energy: 1.2226559785721234
Energy: 1.1672623724458588
Energy: 1.1631673929545325
Energy: 1.1753060775378805
Energy: 1.1631673929545325
Energy: 1.1672623724458588
Energy: 1.1631673929533455
Energy: 1.1658205142395746
Energy: 1.1616231250937745
Energy: 1.167272825310626
Energy: 1.1616231250961488
Energy: 1.1658205142395746
Energy: 1.1616231250949616
Energy: 2.1479578065222107
Energy: 1.2061228279028802
Energy: 1.165808203067759
Energy: 1.2061228279040674
Energy: 2.1479578065222107
Energy: 1.2061228279040674
Energy: 2.1573499858964844
Energy: 1.7557771681114036
Energy: 1.1685618712953392
Energy: 1.7557771681125907
Energy: 2.157349985897672
Energy: 1.7557771681114036
Energy: 1.1677167886114017
Energy: 1.1633365760140388
Energy: 1.1655665906440915
Energy: 1.1633365760128516
Energy: 1.1677167886114017
Energy: 1.1633365760128516
Energy: 1.1742969949084736
Energy: 1.1631025557451744
Energy: 1.1768606584086763
Energy: 1.1631025557463617
Energy: 1.1742969949084736
Energy: 1.1631025557463617
Energy: 1.1697020810010987
Energy: 2.271393951813679
Energy: 1.1755987278106355
Energy: 2.2713939518148667
Energy: 1.16970208100466
Energy: 2.271393951813679
Energy: 1.174636533910395
Energy: 1.7221229799747164
Energy: 1.1661033230278013
Energy: 1.7221229799747164
Energy: 1.1746365339092077
Energy: 1.7221229799735294
Energy: 1.177443666201103
Energy: 1.2516183806990941
Energy: 1.1658254872380804
Energy: 1.251618380697907
Energy: 1.1774436662200978
Energy: 1.2516183806990941
Energy: 1.1747406910605827
Energy: 1.1632978246720873
Energy: 1.1713842683516198
Energy: 1.1632978246732744
Energy: 1.1747406910605827
Energy: 1.1632978246732744
Energy: 1.6483209229981608
Energy: 2.2689696845464793
Energy: 1.2727585027806925
Energy: 2.2689696845464793
Energy: 1.6483209229981608
Energy: 2.2689696845464793

minimum gb energy = 1.1568784118532003 eV
minimum distance =  2.26862548520441 Angstroms
sigma value = 33


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

Energy: 1.6043319212562976
Energy: 0.91030452504597
Energy: 1.9358190659336627
Energy: 0.91030452504597
Energy: 1.6043319212570508
Energy: 0.91030452504597
Energy: 0.9276495864287672
Energy: 1.6753583690694387
Energy: 0.9270925469905513
Energy: 1.6753583690686857
Energy: 0.9276495864106921
Energy: 1.6753583690686857
Energy: 0.927682579447528
Energy: 1.0111650691518739
Energy: 1.2958162429585267
Energy: 1.011165069152627
Energy: 0.927682579447528
Energy: 1.0111650691518739
Energy: 1.0212718287743894
Energy: 1.5396509562152338
Energy: 0.9273717821276165
Energy: 1.539650956215987
Energy: 1.0212718287736362
Energy: 1.539650956215987
Energy: 1.557418842878638
Energy: 0.9091879058854683
Energy: 1.5389067681469275
Energy: 0.9091879058862214
Energy: 1.5574188428793911
Energy: 0.9091879058869745
Energy: 1.5572088883695987
Energy: 0.9367702491404579
Energy: 0.9291439222513099
Energy: 0.9367702491397049
Energy: 1.5572088883695987
Energy: 1.1232222057307788
Energy: 0.9305622174713839
Energy: 0.9357796181597956
Energy: 0.9491181361912325
Energy: 0.9357796181605487
Energy: 0.9305622174713839
Energy: 0.9357796181605487
Energy: 0.9511463577416867
Energy: 0.9061882779497598
Energy: 1.5575788477392412
Energy: 0.9061882779497598
Energy: 0.9511463577416867
Energy: 0.9061882779505128
Energy: 1.5406747992822112
Energy: 1.3018937474166299
Energy: 1.5574525497583684
Energy: 1.301893747415911
Energy: 1.5406747992829644
Energy: 1.301893747415911
Energy: 0.9319092456432144
Energy: 1.292012085178834
Energy: 0.9172643542610808
Energy: 1.292012085178834
Energy: 0.9319092456432144
Energy: 1.068594072974178
Energy: 0.9163075863006723
Energy: 0.9405816879929284
Energy: 0.9559634105777858
Energy: 0.9405816879929284
Energy: 0.9163075863014255
Energy: 0.9405816879929284
Energy: 0.9293352309466579
Energy: 0.9854091420835026
Energy: 0.9281581409739756
Energy: 0.9854091420835026
Energy: 0.9293352309466579
Energy: 0.9854091420835026
Energy: 1.5651461072905668
Energy: 0.9202189846112198
Energy: 1.6145548991510394
Energy: 0.9202189846097135
Energy: 1.5651461072913198
Energy: 0.9202189846097135
Energy: 0.9280198045329682
Energy: 1.5632528369429246
Energy: 0.9250381302218331
Energy: 1.5632528369421714
Energy: 0.9280198045329682
Energy: 1.5632528369436778
Energy: 1.6072512617044943
Energy: 1.0109472785752813
Energy: 0.9272696114497166
Energy: 1.0109472785752813
Energy: 1.6072512617037413
Energy: 1.0109472785752813
Energy: 0.9272712583138717
Energy: 1.5383047302875137
Energy: 0.9137853066772561
Energy: 1.5383047302890198
Energy: 0.927271258314625
Energy: 1.5383047302875137
Energy: 0.9466996453863528
Energy: 0.9106419074128188
Energy: 1.5511737481395491
Energy: 0.9106419074143249
Energy: 0.9466996454074404
Energy: 0.9106419074128188
Energy: 0.9270525271855338
Energy: 0.9365411836904719
Energy: 0.935763450780253
Energy: 0.9365411836912251
Energy: 0.9270525271855338
Energy: 0.9365411836912251
Energy: 1.2316782183961252
Energy: 0.936941208129045
Energy: 0.9267987689523169
Energy: 0.936941208129045
Energy: 1.231678218395372
Energy: 0.936941208129045
Energy: 1.557603539800497
Energy: 0.9077607130116382
Energy: 0.9440129322604455
Energy: 0.9077607130116382
Energy: 1.557603539800497
Energy: 0.907760713010885
Energy: 0.913518898376899
Energy: 1.2799895898599598
Energy: 0.9288338782496951
Energy: 1.2799895898592069
Energy: 0.9135188983776522
Energy: 1.2799895898599598
Energy: 0.9293724533757197
Energy: 0.9368461675115449
Energy: 1.5402685125564675
Energy: 0.9368461675107917
Energy: 0.9293724533749667
Energy: 0.9368461675107917
Energy: 0.9457646441613676
Energy: 0.9365075119330343
Energy: 0.9292888467502415
Energy: 0.9365075119337875
Energy: 0.9457646441606146
Energy: 0.9365075119337875
Energy: 1.6132506772374073
Energy: 0.978689422463001
Energy: 0.9176018702347161
Energy: 0.978689422463001
Energy: 1.6132506772374073
Energy: 0.978689422463001
Energy: 0.9273130930022669
Energy: 0.9855545542958376
Energy: 0.916729907034353
Energy: 0.9855545542958376
Energy: 0.9273130930060326
Energy: 0.9855545542958376
Energy: 0.9492525369865322
Energy: 0.9963555894056725
Energy: 0.9151153493513267
Energy: 0.9963555894056725
Energy: 0.9492525369880386
Energy: 0.9963555894056725
Energy: 0.9161529031050425
Energy: 0.9363923694725568
Energy: 1.5410119335544772
Energy: 0.9363923694725568
Energy: 0.9161529031050425
Energy: 0.9363923694718036
Energy: 1.5573435086725527
Energy: 1.2825765055775555
Energy: 0.9314591420223992
Energy: 1.282576505580568
Energy: 1.5573435086725527
Energy: 1.2825765055798148
Energy: 1.5569631338012353
Energy: 0.9073698527997908
Energy: 0.9459926261874058
Energy: 0.9073698527990376
Energy: 1.5569631338012353
Energy: 0.9073698527990376
Energy: 0.9447238655808957
Energy: 0.936416477030828
Energy: 0.9285182624602496
Energy: 0.9364164770315812
Energy: 0.9447238655808957
Energy: 0.9364164770315812
Energy: 0.9280730110341759
Energy: 1.338727755563061
Energy: 0.9125315939057437
Energy: 1.3387277555623078
Energy: 0.9280730110334228
Energy: 1.3387277555615547
Energy: 1.2326640292510247
Energy: 0.9091833442235828
Energy: 1.5576742869364444
Energy: 0.9091833442235828
Energy: 1.2326640292525308
Energy: 0.9091833442213235
Energy: 0.9257849835864111
Energy: 1.5387569992138197
Energy: 1.245254769633104
Energy: 1.5387569992138197
Energy: 0.9257849835856578
Energy: 1.5387569992138197
Energy: 0.928118309337072
Energy: 1.010999043305099
Energy: 0.9274845384347247
Energy: 1.010999043305099
Energy: 0.9281183093340595
Energy: 1.010999043305099
Energy: 0.9274288714203041
Energy: 1.5668096558800706
Energy: 0.9205343558206189
Energy: 1.5668096558800706
Energy: 0.9274288714203041
Energy: 1.5668096558808238
Energy: 1.5644173348816424
Energy: 0.9104879745946607
Energy: 1.6155491226435477
Energy: 0.9104879745939075
Energy: 1.5644173348816424
Energy: 0.9104879745939075
Energy: 0.9277386581522956
Energy: 1.3418776583952645
Energy: 0.9283962396482147
Energy: 1.3418776583945113
Energy: 0.9277386581522956
Energy: 1.3418776583945113

minimum gb energy = 0.9061882779497598 eV
minimum distance =  2.26496744045182 Angstroms
sigma value = 41


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

Energy: 0.30021428145707246
Energy: 0.45029525376546226
Energy: 2.114134162887634
Energy: 0.45029525376546226
Energy: 0.30021670291577013
Energy: 0.45029525376546226
Energy: 1.7415241086323139
Energy: 0.43401061482021547
Energy: 0.4538135383973361
Energy: 0.43401061482021547
Energy: 1.7415241086323139
Energy: 0.4340106148222717
Energy: 0.31408930941642044
Energy: 0.8644438845837519
Energy: 0.9996787506857702
Energy: 0.8644438845919771
Energy: 0.314083597449231
Energy: 0.8644438845816957
Energy: 1.727063052838386
Energy: 0.43442350969603294
Energy: 0.4544437892075399
Energy: 0.43442350969603294
Energy: 1.7270378580502752
Energy: 0.43442350969603294
Energy: 0.3012765668765387
Energy: 0.43536802183751716
Energy: 0.4598716644423199
Energy: 0.43536802183751716
Energy: 0.3012977615954284
Energy: 0.43536802183751716
Energy: 0.30216323085762636
Energy: 0.4232919983796433
Energy: 0.45553827343983844
Energy: 0.4232919983796433
Energy: 0.3021632453067381
Energy: 0.4232919983796433
Energy: 1.7254584285406187
Energy: 0.433984070696024
Energy: 0.46081708842602237
Energy: 0.433984070696024
Energy: 1.7254532646472232
Energy: 0.433984070696024
Energy: 0.3129590790794884
Energy: 0.43267741808187726
Energy: 0.45463964410784996
Energy: 0.432677418079821
Energy: 0.3130041045629106
Energy: 0.43267741808187726
Energy: 1.72560987813715
Energy: 0.4226205901996689
Energy: 0.4596566782046657
Energy: 0.4226205901996689
Energy: 1.72560987813715
Energy: 0.4226205901996689
Energy: 0.3100408143410514
Energy: 0.4581992079281488
Energy: 0.46014484379203774
Energy: 0.4581992079281488
Energy: 0.310056275234102
Energy: 0.458199207930205
Energy: 1.7277951191420367
Energy: 0.4360182559117395
Energy: 0.46021635679319733
Energy: 0.4360182559117395
Energy: 1.7277951191420367
Energy: 0.4360182559117395
Energy: 0.31506540360710916
Energy: 0.8650800520802885
Energy: 1.51206043322934
Energy: 0.8650800520782322
Energy: 0.31506042582990446
Energy: 0.8650800520802885
Energy: 1.7277574761927676
Energy: 0.4359444336925511
Energy: 0.4602203178436131
Energy: 0.4359444336925511
Energy: 1.7277574761948238
Energy: 0.4359444336925511
Energy: 0.31060691083184083
Energy: 0.4579840988298283
Energy: 0.4603888136133285
Energy: 0.4579840988298283
Energy: 0.3106172491296937
Energy: 0.4579840988298283

minimum gb energy = 0.30021428145707246 eV
minimum distance =  2.42805293697301 Angstroms
sigma value = 11


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

Energy: 1.2723637989680663
Energy: 1.2615315928653985
Energy: 1.349300919726803
Energy: 1.2615315928653985
Energy: 1.2723637989680663
Energy: 1.2615315928653985
Energy: 1.2632121184340293
Energy: 1.296697622259024
Energy: 1.2534406288998188
Energy: 1.2966976222599274
Energy: 1.2632121184331262
Energy: 1.2966976222599274
Energy: 1.2628731274906566
Energy: 1.2979548756916255
Energy: 1.257128276121574
Energy: 1.2979548756916255
Energy: 1.2628731274906566
Energy: 1.2979548756925285
Energy: 1.2940970542501369
Energy: 1.2955776350030723
Energy: 1.2541675864056847
Energy: 1.2955776350030723
Energy: 1.2940970542483303
Energy: 1.2955776350030723
Energy: 1.2575683253267367
Energy: 1.3126094620206306
Energy: 1.2988616406178473
Energy: 1.3126094620197273
Energy: 1.2575683253240266
Energy: 1.3126094620206306
Energy: 1.286565897148914
Energy: 1.3041622211318553
Energy: 1.2614438734866966
Energy: 1.3041622211327588
Energy: 1.286565897148914
Energy: 1.3041622211318553
Energy: 1.295566305490774
Energy: 1.3115417030261272
Energy: 1.2695527686371906
Energy: 1.3115417030261272
Energy: 1.2955663054898707
Energy: 1.3115417030261272
Energy: 1.2626887903532638
Energy: 1.2991588318828704
Energy: 1.2565270063664518
Energy: 1.2991588318810636
Energy: 1.262688790354167
Energy: 1.2991588318810636
Energy: 1.262716098195183
Energy: 1.39019022464918
Energy: 1.253237752963939
Energy: 1.39019022464918
Energy: 1.262716098195183
Energy: 1.39019022464918
Energy: 1.2524779539766924
Energy: 1.2954176765530216
Energy: 1.2975440654339314
Energy: 1.2954176765530216
Energy: 1.2524779539784991
Energy: 1.2954176765530216
Energy: 1.279713354912931
Energy: 1.2540981532297983
Energy: 1.2757667358879636
Energy: 1.2540981532288948
Energy: 1.279713354912931
Energy: 1.2540981532307016
Energy: 1.2642639658899533
Energy: 1.3089407761360374
Energy: 1.2778692307705228
Energy: 1.3089407761360374
Energy: 1.2642639658908568
Energy: 1.3089407761369407
Energy: 1.2581329462692035
Energy: 1.2960226585728392
Energy: 1.3193453915732576
Energy: 1.2960226585737427
Energy: 1.2581329462692035
Energy: 1.2960226585737427
Energy: 1.2981458987762202
Energy: 1.3894050736310473
Energy: 1.2972586290335757
Energy: 1.3894050736319508
Energy: 1.2981458987762202
Energy: 1.3894050736310473
Energy: 1.2528061798138679
Energy: 1.330387608493899
Energy: 1.2632943374310865
Energy: 1.330387608493899
Energy: 1.2528061798147714
Energy: 1.3303876084948025
Energy: 1.297979414633948
Energy: 1.2570533014960459
Energy: 1.278394389282251
Energy: 1.2570533014960459
Energy: 1.297979414633948
Energy: 1.2570533014960459
Energy: 1.2699510763475894
Energy: 1.310641749707061
Energy: 1.2637939982326278
Energy: 1.3106417497061578
Energy: 1.269951076349396
Energy: 1.3106417497088676
Energy: 1.261609685848702
Energy: 1.3217122301147772
Energy: 1.2543408916627599
Energy: 1.3217122299874715
Energy: 1.2616096858496053
Energy: 1.3217122300732453
Energy: 1.3006056971753577
Energy: 1.2954997654965792
Energy: 1.2978471358608432
Energy: 1.295499765495676
Energy: 1.3006056971753577
Energy: 1.295499765495676
Energy: 1.25411624808409
Energy: 1.2962557744821015
Energy: 1.263187410231094
Energy: 1.296255774481198
Energy: 1.25411624808409
Energy: 1.296255774481198
Energy: 1.2784690091973532
Energy: 1.3114104349055333
Energy: 1.2631725281790829
Energy: 1.3114104349064366
Energy: 1.2784690091955462
Energy: 1.3114104349064366
Energy: 1.277244691929009
Energy: 1.258207462366685
Energy: 1.2969353404297026
Energy: 1.2582074623657817
Energy: 1.277244691928106
Energy: 1.258207462366685
Energy: 1.4494208936870738
Energy: 1.2956062399462536
Energy: 1.2766481493797115
Energy: 1.2956062399462536
Energy: 1.4494208936870738
Energy: 1.2956062399462536
Energy: 1.2539196794172212
Energy: 1.3880256274268477
Energy: 1.263747734936695
Energy: 1.3880256274259444
Energy: 1.2539196794181244
Energy: 1.3880256274259444
Energy: 1.2612907491290057
Energy: 1.298558790931942
Energy: 1.2632274678147486
Energy: 1.2985587909328244
Energy: 1.2612907491290057
Energy: 1.2985587909328244
Energy: 1.2750483242448623
Energy: 1.311607256909611
Energy: 1.2944815042168971
Energy: 1.3116072569105144
Energy: 1.2750483242457658
Energy: 1.3116072569105144
Energy: 1.2588116279029846
Energy: 1.3064110140836027
Energy: 1.25937888561122
Energy: 1.3064110140845058
Energy: 1.2588116279029846
Energy: 1.3064110140836027
Energy: 1.295078026236292
Energy: 1.3123439394846048
Energy: 1.2816171510170693
Energy: 1.3123439394846048
Energy: 1.295078026236292
Energy: 1.3123439394855083
Energy: 1.2571601098205745
Energy: 1.2956322234587023
Energy: 1.2955967678276756
Energy: 1.2956322234577993
Energy: 1.2571601098196714
Energy: 1.2956322234577993
Energy: 1.2556148114486279
Energy: 1.3206358824543725
Energy: 1.2620938863956601
Energy: 1.3206358824543725
Energy: 1.2556148114486279
Energy: 1.3206358824543725
Energy: 1.2521404604020803
Energy: 1.2965937944935884
Energy: 1.2617191454352292
Energy: 1.2965937944972017
Energy: 1.2521404604020803
Energy: 1.296593794500815

minimum gb energy = 1.2521404604020803 eV
minimum distance =  2.26728739205558 Angstroms
sigma value = 57


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

Energy: 1.6255160515697813
Energy: 1.610618555659272
Energy: 1.82867650204825
Energy: 1.6106185556624868
Energy: 1.6255160515697813
Energy: 1.610618555659272
Energy: 1.57558348951907
Energy: 1.5945146190784605
Energy: 1.571485373474025
Energy: 1.5945146190784605
Energy: 1.5755834895174623
Energy: 1.5725033144387162
Energy: 1.573905586393702
Energy: 1.6273821264925488
Energy: 1.5714467825175455
Energy: 1.6273821264925488
Energy: 1.573905586395309
Energy: 1.6273821264909416
Energy: 1.572158052764097
Energy: 1.6393517325595033
Energy: 1.5723110351388294
Energy: 1.6741856720863653
Energy: 1.5721580527624897
Energy: 1.6153003566478994
Energy: 1.5714545170089318
Energy: 1.62744565315328
Energy: 1.574025168784149
Energy: 1.62744565315328
Energy: 1.5714545170089318
Energy: 1.62744565315328
Energy: 1.571469324030015
Energy: 1.5723266987076572
Energy: 1.5755813548048312
Energy: 1.5723266987060496
Energy: 1.571469324030015
Energy: 1.5723266987060496
Energy: 1.8286765020498574
Energy: 1.6106185556608792
Energy: 1.6255160515697813
Energy: 1.6106185556608792
Energy: 1.8286765020498574
Energy: 1.610618555659272
Energy: 1.5714853734724175
Energy: 1.5955814586781418
Energy: 1.5755834895174623
Energy: 1.5955814586781418
Energy: 1.5714853734724175
Energy: 1.5945146190784605
Energy: 1.5714467825159746
Energy: 1.6273821264925488
Energy: 1.573905586393702
Energy: 1.6273821264925488
Energy: 1.5714467825175455
Energy: 1.6273821264941561
Energy: 1.5723110351388294
Energy: 1.6393517325562883
Energy: 1.5721580527624897
Energy: 1.6393517325562883
Energy: 1.572311035137222
Energy: 1.674185672092795
Energy: 1.574025168784149
Energy: 1.62744565315328
Energy: 1.5714545170089318
Energy: 1.62744565315328
Energy: 1.574025168784149
Energy: 1.62744565315328
Energy: 1.5755813548048312
Energy: 1.5723266987060496
Energy: 1.5714693240284077
Energy: 1.572326698704442
Energy: 1.5755813548048312
Energy: 1.572326698704442
Energy: 1.6255160515697813
Energy: 1.6106185556608792
Energy: 1.690937906803693
Energy: 1.6106185556624868
Energy: 1.6255160515697813
Energy: 1.610618555659272
Energy: 1.57558348951907
Energy: 1.5945146190784605
Energy: 1.5714853734724175
Energy: 1.5945146190784605
Energy: 1.57558348951907
Energy: 1.5945146190784605
Energy: 1.5739055863969165
Energy: 1.6273821264925488
Energy: 1.5714467825175455
Energy: 1.6273821264909416
Energy: 1.573905586395309
Energy: 1.6273821264909416
Energy: 1.5721580527624897
Energy: 1.674185672092795
Energy: 1.572311035137222
Energy: 1.67418567209601
Energy: 1.5721580527624897
Energy: 1.6741856720944024
Energy: 1.5714545170089318
Energy: 1.62744565315328
Energy: 1.5740251687857565
Energy: 1.6274456531516726
Energy: 1.5714545170089318
Energy: 1.6274456531516726

minimum gb energy = 1.5714467825159746 eV
minimum distance =  2.26793665998199 Angstroms
sigma value = 9


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

Energy: 1.4239452193872613
Energy: 1.4190480158357024
Energy: 1.6919174368771175
Energy: 1.4190480158435772
Energy: 1.4239452193872613
Energy: 1.41904801584486
Energy: 1.411881904628101
Energy: 1.4459945254147526
Energy: 1.5865169566802673
Energy: 1.44599452541344
Energy: 1.411881904628101
Energy: 1.44599452541344
Energy: 1.6241798980463864
Energy: 1.5615439129937077
Energy: 1.5902056098467123
Energy: 1.561543912992395
Energy: 1.6241798980463864
Energy: 1.561543912992395
Energy: 1.6239303663314053
Energy: 1.6488436762007916
Energy: 1.4327163822879356
Energy: 1.6488436762007916
Energy: 1.6239303663327178
Energy: 1.6488436762007916
Energy: 1.4140683127170226
Energy: 1.7264143831280299
Energy: 1.5859881736486068
Energy: 1.7264143831293424
Energy: 1.4140683127170226
Energy: 1.7264143831293424
Energy: 1.6240674731888658
Energy: 1.6244263666639693
Energy: 1.5853371332416006
Energy: 1.6244263666652816
Energy: 1.6240674731888658
Energy: 1.6244263666639693
Energy: 1.625290620129732
Energy: 1.5619326731291447
Energy: 1.5897088864267275
Energy: 1.56193267312652
Energy: 1.625290620129732
Energy: 1.56193267312652
Energy: 1.4116597142419616
Energy: 1.4421797271470422
Energy: 1.5829543553140772
Energy: 1.4421797271457297
Energy: 1.4116597142419616
Energy: 1.4421797271470422
Energy: 1.411781131118819
Energy: 1.529422054561165
Energy: 1.4307633979649133
Energy: 1.529422054561165
Energy: 1.411781131118819
Energy: 1.5294220545598525
Energy: 1.6231725127190353
Energy: 1.431909100341483
Energy: 1.5847105618673452
Energy: 1.431909100338858
Energy: 1.6231725127190353
Energy: 1.431909100338858
Energy: 1.6267455789477276
Energy: 1.6360194804321808
Energy: 1.515602701160415
Energy: 1.6360194804308683
Energy: 1.6267455789477276
Energy: 1.6360194804308683
Energy: 1.623618974123064
Energy: 1.6254692069047905
Energy: 1.4318785276365764
Energy: 1.6254692069021657
Energy: 1.6236189741217515
Energy: 1.6254692069008532
Energy: 1.6261097435698464
Energy: 1.57320468319033
Energy: 1.5071942050834692
Energy: 1.573204683192955
Energy: 1.6261097435698464
Energy: 1.5732046831916424
Energy: 1.6239507862024931
Energy: 1.6249285951154362
Energy: 1.428743566744968
Energy: 1.6249285951167485
Energy: 1.6239507862038056
Energy: 1.6249285951167485
Energy: 1.622851533135676
Energy: 1.4299212218501014
Energy: 1.599361432750562
Energy: 1.429921221848789
Energy: 1.622851533135676
Energy: 1.4299212218501014
Energy: 1.409252870009863
Energy: 1.5295401572037115
Energy: 1.4299501777925452
Energy: 1.529540157202399
Energy: 1.409252870009863
Energy: 1.529540157202399
Energy: 1.4074916130520512
Energy: 1.5289949367682822
Energy: 1.4355907642748225
Energy: 1.5289949367682822
Energy: 1.4074916130520512
Energy: 1.5289949367682822
Energy: 1.5170040743333373
Energy: 1.5685112409781514
Energy: 1.5839002311296981
Energy: 1.5685112409807762
Energy: 1.5170040743320248
Energy: 1.5685112409807762
Energy: 1.6268177663036167
Energy: 1.6264938961205295
Energy: 1.4311680934703883
Energy: 1.626493896119217
Energy: 1.6268177663036167
Energy: 1.626493896119217
Energy: 1.6238652649152843
Energy: 1.7272062585205656
Energy: 1.6010967206367552
Energy: 1.7272062585192531
Energy: 1.6238652649152843
Energy: 1.7272062585271282
Energy: 1.626699311812277
Energy: 1.6490634212852266
Energy: 1.4300427657017847
Energy: 1.6490634212839144
Energy: 1.6266993118135897
Energy: 1.6490634212839144

minimum gb energy = 1.4074916130520512 eV
minimum distance =  2.27287644028289 Angstroms
sigma value = 27


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

Energy: 1.580051880394186
Energy: 1.5593713065897903
Energy: 1.577521153618504
Energy: 1.5593713065908967
Energy: 1.580051880394186
Energy: 1.5593713065908967
Energy: 1.5368413579857738
Energy: 1.5343305718486746
Energy: 1.5342100060789567
Energy: 1.5343305718497806
Energy: 1.5368413579857738
Energy: 1.5343305718497806
Energy: 1.527677642328362
Energy: 1.5276172875088596
Energy: 1.534148141434314
Energy: 1.527617287509966
Energy: 1.527677642328362
Energy: 1.5276172875088596
Energy: 1.5367989994645508
Energy: 1.5717499620768043
Energy: 1.5319942065566414
Energy: 1.571749962075698
Energy: 1.5367989994656572
Energy: 1.5717499620768043
Energy: 1.540454017804102
Energy: 1.7503109681553395
Energy: 1.5403493389012592
Energy: 1.7503109681575522
Energy: 1.540454017804102
Energy: 1.7503109681575522
Energy: 1.5354502953537719
Energy: 1.526938810557164
Energy: 1.526769178398373
Energy: 1.5269388105593766
Energy: 1.5354502953526654
Energy: 1.5269388105593766
Energy: 1.4979872959891025
Energy: 1.5675544912368728
Energy: 1.5371823503131543
Energy: 1.5675544912346597
Energy: 1.4979872959902087
Energy: 1.5675544912346597
Energy: 1.5339193951229442
Energy: 1.5643270292088718
Energy: 1.5373154146649126
Energy: 1.5643270292110847
Energy: 1.5339193951229442
Energy: 1.5643270292110847
Energy: 1.537975678701663
Energy: 1.6898853712029636
Energy: 1.577751183708923
Energy: 1.6898853712029636
Energy: 1.537975678701663
Energy: 1.6898853712029636
Energy: 1.533964205407958
Energy: 1.5345147692924794
Energy: 1.5879120180398911
Energy: 1.5345147692924794
Energy: 1.5339642054068519
Energy: 1.5345147692924794
Energy: 1.533607512105685
Energy: 1.5417274737438869
Energy: 1.5878443964256623
Energy: 1.5417274737416742
Energy: 1.533607512105685
Energy: 1.5417274737427806
Energy: 1.5380436841138876
Energy: 1.5362814054544154
Energy: 1.5370583240021058
Energy: 1.5362814054566278
Energy: 1.5380436841127814
Energy: 1.5362814054555216
Energy: 1.5340557725330302
Energy: 1.5510364139147839
Energy: 1.5371591168831218
Energy: 1.5510364139147839
Energy: 1.5340557725330302
Energy: 1.5510364139136776
Energy: 1.5407651883535372
Energy: 1.8434476296951288
Energy: 1.537062585402831
Energy: 1.843447629696235
Energy: 1.5407651883535372
Energy: 1.8434476296951288
Energy: 1.5333265118444868
Energy: 1.5779458811503784
Energy: 1.5263686384341206
Energy: 1.5779458811503784
Energy: 1.5333265118444868
Energy: 1.5779458811503784
Energy: 1.5402525485448277
Energy: 1.7503109681531268
Energy: 1.5405565037308129
Energy: 1.7503109681553395
Energy: 1.5402525485448277
Energy: 1.750310968154233
Energy: 1.5368037981755556
Energy: 1.6938732498736386
Energy: 1.5332446451614774
Energy: 1.6938732498725322
Energy: 1.5368037981755556
Energy: 1.6938732498725322
Energy: 1.5273540723097443
Energy: 1.526852619789627
Energy: 1.5342341076983816
Energy: 1.5268526197885206
Energy: 1.5273540723108505
Energy: 1.5268526197885206
Energy: 1.5374244911523411
Energy: 1.5253496765419978
Energy: 1.5341148993971796
Energy: 1.525349676543104
Energy: 1.5374244911523411
Energy: 1.525349676543104
Energy: 1.580051880394186
Energy: 1.5593713065897903
Energy: 1.590583796236451
Energy: 1.5593713065920027
Energy: 1.580051880394186
Energy: 1.5593713065920027
Energy: 1.5368413579857738
Energy: 1.5343305718486746
Energy: 1.5342100060789567
Energy: 1.5343305718475682
Energy: 1.5368413579857738
Energy: 1.5343305718475682
Energy: 1.527677642328362
Energy: 1.527617287509966
Energy: 1.5341481414354206
Energy: 1.5276172875088596
Energy: 1.5276776423272556
Energy: 1.5276172875088596
Energy: 1.5367989994656572
Energy: 1.5717499620801234
Energy: 1.5319942065544288
Energy: 1.5717499620768043
Energy: 1.5367989994656572
Energy: 1.5717499620768043
Energy: 1.540454017804102
Energy: 1.7503109681575522
Energy: 1.5403493389012592
Energy: 1.7503109681575522
Energy: 1.540454017804102
Energy: 1.7503109681575522
Energy: 1.5354502953537719
Energy: 1.5269388105582704
Energy: 1.5267691783972666
Energy: 1.526938810560483
Energy: 1.5354502953537719
Energy: 1.526938810560483

minimum gb energy = 1.4979872959891025 eV
minimum distance =  2.30491679777889 Angstroms
sigma value = 19


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

Energy: 1.4504313668144568
Energy: 1.439619674682833
Energy: 1.5015389755987336
Energy: 1.4396196746847212
Energy: 1.4504313668144568
Energy: 1.4396196746847212
Energy: 1.4159843811520585
Energy: 1.4104833778583812
Energy: 1.4206049487020576
Energy: 1.4104833778593358
Energy: 1.4159843811520585
Energy: 1.4104833778593358
Energy: 1.4340379275049062
Energy: 1.4166093871037035
Energy: 1.4320106937256278
Energy: 1.4166093871056136
Energy: 1.4340379275049062
Energy: 1.4166093871056136
Energy: 1.417131712811683
Energy: 1.4280785641049933
Energy: 1.431579043856852
Energy: 1.4280785641049933
Energy: 1.417131712810728
Energy: 1.4280785641049933
Energy: 1.4176930977953537
Energy: 1.4828148753041266
Energy: 1.4179996021835755
Energy: 1.4828148753060366
Energy: 1.4176930977953537
Energy: 1.4828148753060366
Energy: 1.4439409123363705
Energy: 1.419946080044321
Energy: 1.424159643768699
Energy: 1.419946080045276
Energy: 1.4439409123363705
Energy: 1.419946080045276
Energy: 1.4177631993766886
Energy: 1.7769704673632933
Energy: 1.4304145746345847
Energy: 1.7769704673613833
Energy: 1.4177631993766886
Energy: 1.7769704673613833
Energy: 1.4191031295596492
Energy: 1.419934351093881
Energy: 1.4246428639016067
Energy: 1.419934351095791
Energy: 1.4191031295596492
Energy: 1.419934351095791
Energy: 1.4176602173815958
Energy: 1.4199797356495234
Energy: 1.4820958611805803
Energy: 1.4199797356485684
Energy: 1.4176602173815958
Energy: 1.4199797356485684
Energy: 1.4206768770792246
Energy: 1.463389486426768
Energy: 1.4202783899042533
Energy: 1.4633894864258132
Energy: 1.4206768770792246
Energy: 1.4633894864258132
Energy: 1.4232494875052621
Energy: 1.3954270137964888
Energy: 1.445038606175376
Energy: 1.3954270137964888
Energy: 1.4232494875052621
Energy: 1.3954270137964888
Energy: 1.3811201883574014
Energy: 1.3917358553482286
Energy: 1.421006314325909
Energy: 1.3917358553482286
Energy: 1.3811201883574014
Energy: 1.3917358553463184
Energy: 1.375778307636468
Energy: 1.4681722124733236
Energy: 1.4220703785970825
Energy: 1.4681722124742786
Energy: 1.375778307636468
Energy: 1.4681722124742786
Energy: 1.4421117279881663
Energy: 1.3954375877784564
Energy: 1.394342311346225
Energy: 1.3954375877784564
Energy: 1.4421117279881663
Energy: 1.3954375877784564
Energy: 1.4253871339350024
Energy: 1.4267099677950907
Energy: 1.4220745979343927
Energy: 1.4267099677960455
Energy: 1.4253871339350024
Energy: 1.4267099677960455
Energy: 1.4256046244563105
Energy: 1.7122163035173568
Energy: 1.3923546555721975
Energy: 1.7122163035183118
Energy: 1.4256046244563105
Energy: 1.7122163035183118
Energy: 1.4334094460218398
Energy: 1.7119110452840747
Energy: 1.391539998018601
Energy: 1.7119110452831197
Energy: 1.4334094460218398
Energy: 1.7119110452821646
Energy: 1.4261064601752744
Energy: 1.4751930605957175
Energy: 1.4208964829645045
Energy: 1.4752102571197883
Energy: 1.4261064601752744
Energy: 1.4752104470249927
Energy: 1.4334134494521047
Energy: 1.7119095457585127
Energy: 1.3914250884060706
Energy: 1.7119095457585127
Energy: 1.4334134494521047
Energy: 1.7119095457585127
Energy: 1.4256398271282866
Energy: 1.7122226226309079
Energy: 1.392346617000684
Energy: 1.7122226226299533
Energy: 1.4256398271282866
Energy: 1.7122226226299533
Energy: 1.425381789967563
Energy: 1.4266973767474396
Energy: 1.4220595074092406
Energy: 1.4266973767474396
Energy: 1.425381789967563
Energy: 1.4266973767464843
Energy: 1.4420721054981966
Energy: 1.3955833017156476
Energy: 1.3943746887643087
Energy: 1.3955833017156476
Energy: 1.4420721054981966
Energy: 1.3955833017156476
Energy: 1.3753355822939122
Energy: 1.4681566550629885
Energy: 1.4220597825507488
Energy: 1.4681566550629885
Energy: 1.3753355822929572
Energy: 1.4681566550629885
Energy: 1.3811645458615243
Energy: 1.3917242409711053
Energy: 1.4210285775415292
Energy: 1.3917242409701502
Energy: 1.3811645458624573
Energy: 1.3917242409691954
Energy: 1.4232269246649787
Energy: 1.3953871569108447
Energy: 1.4279236188234674
Energy: 1.39538715690989
Energy: 1.4232269246649787
Energy: 1.39538715690989
Energy: 1.4207674632897567
Energy: 1.46340888156178
Energy: 1.4202872141490812
Energy: 1.463408881560825
Energy: 1.4207674632897567
Energy: 1.463408881560825
Energy: 1.417638629638742
Energy: 1.4199505971716653
Energy: 1.4879201794238504
Energy: 1.4199505971716653
Energy: 1.417638629638742
Energy: 1.4199505971707103
Energy: 1.4192390643002812
Energy: 1.419825155057938
Energy: 1.4245446428719382
Energy: 1.419825155057938
Energy: 1.4192390643002812
Energy: 1.419825155057938
Energy: 1.4177319699502762
Energy: 1.7769704673585183
Energy: 1.4304505002995518
Energy: 1.7769704673613833
Energy: 1.4177319699502762
Energy: 1.7769704673613833

minimum gb energy = 1.3753355822929572 eV
minimum distance =  2.27518377669848 Angstroms
sigma value = 101


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

Energy: 1.3961398137219667
Energy: 1.4200046599522822
Energy: 1.406989004024296
Energy: 1.4200046599514429
Energy: 1.3961398137211272
Energy: 1.4200046599514429
Energy: 1.3983020994169453
Energy: 1.3957527295141854
Energy: 1.404115808421995
Energy: 1.3957527295141854
Energy: 1.3983020994177848
Energy: 1.3957527295125063
Energy: 1.4082641632126578
Energy: 1.3853742877434505
Energy: 1.4061848141420104
Energy: 1.3853742877434505
Energy: 1.4082641632126578
Energy: 1.3853742877434505
Energy: 1.3846615147973573
Energy: 1.5310773180131512
Energy: 1.39770011611774
Energy: 1.5310773180097936
Energy: 1.3846615147973573
Energy: 1.4027561419761807
Energy: 1.407252175690591
Energy: 1.4410869308818621
Energy: 1.4083469773847375
Energy: 1.4410869308810226
Energy: 1.4072521756914305
Energy: 1.4410869308818621
Energy: 1.4052899536572019
Energy: 1.640764461009468
Energy: 1.4116120148421807
Energy: 1.640764461009468
Energy: 1.4052899536572019
Energy: 1.640764461009468
Energy: 1.4091686297138513
Energy: 1.6729398041044303
Energy: 1.407409085004185
Energy: 1.6729398041044303
Energy: 1.4091686297138513
Energy: 1.6729398041044303
Energy: 1.399916370291883
Energy: 1.6784488437818925
Energy: 1.4045159533309075
Energy: 1.6802122755124491
Energy: 1.3999163702910435
Energy: 1.5548134599978896
Energy: 1.4068938862743776
Energy: 1.6423235206420375
Energy: 1.4085118654653896
Energy: 1.6423235206420375
Energy: 1.4068938862743776
Energy: 1.6423235206420375
Energy: 1.382630888361893
Energy: 1.6414620258101618
Energy: 1.412122052035899
Energy: 1.641462025811001
Energy: 1.382630888361893
Energy: 1.641462025811001
Energy: 1.4161456233567213
Energy: 1.6455113882947747
Energy: 1.4019682990635323
Energy: 1.6455113882947747
Energy: 1.4161456233567213
Energy: 1.6455113882947747
Energy: 1.4040819253150554
Energy: 1.4014305649925984
Energy: 1.4119184467164985
Energy: 1.401430564993438
Energy: 1.4040819253158945
Energy: 1.4014305649909196
Energy: 1.405923860893754
Energy: 1.40050930149366
Energy: 1.3850375228306928
Energy: 1.40050930149366
Energy: 1.4059238608929148
Energy: 1.40050930149366
Energy: 1.3988419586654548
Energy: 1.3946061476102802
Energy: 1.3978189157374734
Energy: 1.3869777632541958
Energy: 1.3988419586654548
Energy: 1.3946061476102802
Energy: 1.384417280755655
Energy: 1.4440367548749655
Energy: 1.3975498335898593
Energy: 1.4440367548749655
Energy: 1.3844172807564943
Energy: 1.4440367548749655
Energy: 1.4038465681648036
Energy: 1.385441678961317
Energy: 1.4046226887306081
Energy: 1.3854416789604778
Energy: 1.403846568163964
Energy: 1.3854416789604778
Energy: 1.4076680834797248
Energy: 1.4031234622293065
Energy: 1.386891969000416
Energy: 1.40312346223938
Energy: 1.4076680834797248
Energy: 1.4031234622293065
Energy: 1.4054805138191253
Energy: 1.3963529314132193
Energy: 1.3827577463828864
Energy: 1.3963529314115404
Energy: 1.4054805138191253
Energy: 1.39635293141238
Energy: 1.3836342260345607
Energy: 1.6471201222746936
Energy: 1.4055761290487885
Energy: 1.6471201222746936
Energy: 1.3836342260362395
Energy: 1.6471201222746936
Energy: 1.4121321087151615
Energy: 1.6724254454038616
Energy: 1.3825283302884255
Energy: 1.6724254454038616
Energy: 1.412132108716001
Energy: 1.672425445403022
Energy: 1.4272120607138936
Energy: 1.4036242529809881
Energy: 1.4077016333200665
Energy: 1.4036242529801488
Energy: 1.4272120607147332
Energy: 1.4036242529801488
Energy: 1.4137273403318302
Energy: 1.647346762132991
Energy: 1.3830385657373108
Energy: 1.6473467621321514
Energy: 1.4137273403318302
Energy: 1.6473467621321514
Energy: 1.4058028708301107
Energy: 1.6409784862257635
Energy: 1.4068386264997121
Energy: 1.640978486224924
Energy: 1.4058028708292714
Energy: 1.640978486224924
Energy: 1.3844986334519884
Energy: 1.3846535410488774
Energy: 1.4220066924116987
Energy: 1.5406507148175825
Energy: 1.3844986334519884
Energy: 1.3996789055733128
Energy: 1.407155506552585
Energy: 1.4531418554146103
Energy: 1.4004867392023055
Energy: 1.4531418554154498
Energy: 1.407155506552585
Energy: 1.4531418554154498
Energy: 1.3840612700112276
Energy: 1.4007926537638564
Energy: 1.4038129181312333
Energy: 1.400792653764696
Energy: 1.3840612700112276
Energy: 1.4007926537655353
Energy: 1.398353265361048
Energy: 1.3971399328978114
Energy: 1.4084675219815714
Energy: 1.3971399328978114
Energy: 1.398353265361048
Energy: 1.3971399328978114
Energy: 1.3983239079552547
Energy: 1.3984438471351524
Energy: 1.4118946303462194
Energy: 1.3984438471334735
Energy: 1.3983239079552547
Energy: 1.3984438471368312
Energy: 1.405472947602562
Energy: 1.400831599611158
Energy: 1.418391718330958
Energy: 1.400831599611158
Energy: 1.4054729476034014
Energy: 1.4008315996103187
Energy: 1.38247238239319
Energy: 1.3913694375342696
Energy: 1.412684003102376
Energy: 1.39136943753343
Energy: 1.382472382394029
Energy: 1.3913694375351089
Energy: 1.386600536330458
Energy: 1.3995295372220815
Energy: 1.4032965634962606
Energy: 1.3995295372220815
Energy: 1.386600536330458
Energy: 1.3995295372220815
Energy: 1.3836152841749751
Energy: 1.6459557739496633
Energy: 1.4111673694454498
Energy: 1.6459557739496633
Energy: 1.3836152841757956
Energy: 1.6459557739496633
Energy: 1.4083963859247957
Energy: 1.4149704834185206
Energy: 1.4052158512390598
Energy: 1.414970483417681
Energy: 1.4083963859247957
Energy: 1.4149704834185206

minimum gb energy = 1.38247238239319 eV
minimum distance =  2.316826540131 Angstroms
sigma value = 33


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

Energy: 0.01336583356482186
Energy: 0.014879218311695898
Energy: -0.6926882382027381
Energy: 0.014879218313071495
Energy: 0.01336583356414375
Energy: 0.01487921831237401
Energy: 0.013959028771448521
Energy: 0.7033052411083003
Energy: 0.013959028771448521
Energy: 0.7033052411089784
Energy: 0.013959028771448521
Energy: 0.7033052411083003
Energy: 1.070857224772874
Energy: 0.01487921831237401
Energy: 0.01336583356414375
Energy: 0.014879218311695898
Energy: 1.070857224773552
Energy: 0.014879218311695898
Energy: 0.013959028771448521
Energy: 0.7033052411089784
Energy: 0.013959028772126632
Energy: 0.7033052411083003
Energy: 0.013959028772126632
Energy: 0.7033052411083003

minimum gb energy = -0.6926882382027381 eV
minimum distance =  2.47984127092979 Angstroms
sigma value = 1