Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
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=2.8665045946836467
cohesive_energy=13.884706401845953
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: 0.042611424787844354
Energy: 0.043746846662428326
Energy: 0.5547053668175183
Energy: 0.043746846662428326
Energy: 0.042611424787844354
Energy: 0.04374684665755148
Energy: 0.04374684665755148
Energy: 3.6018351126335175
Energy: 0.043746846662428326
Energy: 3.0711646433681925
Energy: 0.04374684665755148
Energy: 3.0711646433681925
Energy: 0.5547053668175183
Energy: 0.04374684665755148
Energy: 0.042611424787844354
Energy: 0.04374684665755148
Energy: 0.5547053668175183
Energy: 0.04374684665755148
Energy: 0.043746846662428326
Energy: 3.0711646433681925
Energy: 0.043746846662428326
Energy: 3.0711646433681925
Energy: 0.04374684665755148
Energy: 3.0711646433681925
Energy: 0.042611424787844354
Energy: 0.04374684665755148
Energy: 0.5547053668175183
Energy: 0.043746846662428326
Energy: 0.042611424787844354
Energy: 0.04374684665755148
Energy: 0.04374684665755148
Energy: 3.0711646433681925
Energy: 0.04374684665755148
Energy: 3.071164643363316
Energy: 0.04374684665755148
Energy: 3.0711646433681925

minimum gb energy = 0.042611424787844354 eV
minimum distance =  2.26453284023743 Angstroms
sigma value = 1


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

Energy: 1.6366457430247976
Energy: 1.669941274572372
Energy: 1.519006926067366
Energy: 1.6699412745711717
Energy: 1.636645743023597
Energy: 1.6699412745735729
Energy: 1.6628717133661646
Energy: 1.643750900528113
Energy: 1.6426151172283214
Energy: 1.643750900525712
Energy: 1.6628717133625628
Energy: 1.643750900525712
Energy: 1.4200689732641218
Energy: 1.6417105274494606
Energy: 1.643587261426401
Energy: 1.6417105274506612
Energy: 1.420068973262921
Energy: 1.6417105274506612
Energy: 1.669989166180802
Energy: 1.6089924832488431
Energy: 1.541881654184694
Energy: 1.6089924832560467
Energy: 1.6699891661772002
Energy: 1.608992483244041
Energy: 1.67147819373091
Energy: 1.7359456196765246
Energy: 1.6759507661726807
Energy: 1.735945619672923
Energy: 1.6714781937381136
Energy: 1.7359456196765246
Energy: 1.640462064478289
Energy: 1.6483567051404528
Energy: 1.4265948570506428
Energy: 1.6483567051416537
Energy: 1.640462064475888
Energy: 1.6483567051416537
Energy: 1.6373879190588894
Energy: 1.6387628675649708
Energy: 1.429386357847075
Energy: 1.63876286756257
Energy: 1.6373879190600904
Energy: 1.6387628675661718
Energy: 1.6940582033618201
Energy: 1.6721868159680937
Energy: 1.4138595555294402
Energy: 1.6721868159680937
Energy: 1.694058203358218
Energy: 1.6721868159680937
Energy: 1.6817516217774613
Energy: 1.6096660812976125
Energy: 1.5412682057733482
Energy: 1.6096660812916095
Energy: 1.6817516217774613
Energy: 1.6096660813072172
Energy: 1.6412242951877944
Energy: 1.6367141228514117
Energy: 1.4286354027306973
Energy: 1.6367141228526125
Energy: 1.6412242951901956
Energy: 1.6367141228502113
Energy: 1.6623523283533916
Energy: 1.6086428272241442
Energy: 1.667577217265239
Energy: 1.6086428272289464
Energy: 1.662352328354592
Energy: 1.6086428272289464
Energy: 1.4610563860144066
Energy: 1.6686246764305255
Energy: 1.461732777694695
Energy: 1.6686246764305255
Energy: 1.4610563860132058
Energy: 1.668624676425723
Energy: 1.6681281718432492
Energy: 1.608642827218141
Energy: 1.6587549566874433
Energy: 1.6086428272121378
Energy: 1.6681281718420486
Energy: 1.6086428272229434
Energy: 1.4285599962347395
Energy: 1.6368190620910084
Energy: 1.64057212695742
Energy: 1.6368190620898075
Energy: 1.4285599962359399
Energy: 1.6368190620910084
Energy: 1.5405697048660811
Energy: 1.6093472704554566
Energy: 1.6823616004669335
Energy: 1.6093472704458518
Energy: 1.5405697048660811
Energy: 1.6093472704530554
Energy: 1.4142560535092585
Energy: 1.6720778777464402
Energy: 1.6939873211418797
Energy: 1.6720778777452396
Energy: 1.4142560534960518
Energy: 1.6720778777452396
Energy: 1.4294865366634488
Energy: 1.6387901236378222
Energy: 1.6388576916408026
Energy: 1.6387901236366211
Energy: 1.429486536662248
Energy: 1.6387901236366211
Energy: 1.4261133986617134
Energy: 1.6484473375286262
Energy: 1.6404798441081947
Energy: 1.6484473375298265
Energy: 1.4261133986581118
Energy: 1.6484473375310273
Energy: 1.616623385978705
Energy: 1.7361944890173855
Energy: 1.671273146553111
Energy: 1.7361944890245888
Energy: 1.616623385978705
Energy: 1.7361944890245888
Energy: 1.5419049306805035
Energy: 1.6163087459984495
Energy: 1.6700601799060681
Energy: 1.6163087460020513
Energy: 1.5419049306781023
Energy: 1.6163087460128567
Energy: 1.643678744332764
Energy: 1.641835839286784
Energy: 1.4200680468083395
Energy: 1.6418358392879846
Energy: 1.6436787443315632
Energy: 1.6418358392855832
Energy: 1.6402684646477261
Energy: 1.6438718820987586
Energy: 1.6641738631559726
Energy: 1.64387188210116
Energy: 1.6402684646417234
Energy: 1.64387188210116
Energy: 1.63124016600276
Energy: 1.669941274569971
Energy: 1.636645743023597
Energy: 1.6699412745687703
Energy: 1.6312401660063618
Energy: 1.669941274569971

minimum gb energy = 1.4138595555294402 eV
minimum distance =  2.25550864945114 Angstroms
sigma value = 33


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

Energy: 2.232094381636469
Energy: 1.7953605968086408
Energy: 1.6328330353737097
Energy: 1.7953605968086408
Energy: 2.232094381636469
Energy: 1.7953605968086408
Energy: 1.682480084319688
Energy: 1.729152065210317
Energy: 1.8218806002971675
Energy: 1.729152065210317
Energy: 1.682480084319688
Energy: 1.729152065210317
Energy: 1.4980169367785838
Energy: 1.7805105683645959
Energy: 1.861189951922022
Energy: 1.7805105683645959
Energy: 1.4980169367785838
Energy: 1.7805105683645959
Energy: 1.661069623279795
Energy: 1.7350464596651982
Energy: 1.8650970560322655
Energy: 1.7350464596651982
Energy: 1.661069623279795
Energy: 1.735046459658369
Energy: 1.6581334458008976
Energy: 1.7893735356307694
Energy: 1.7517468392844182
Energy: 1.7893735356307694
Energy: 1.6581334457940686
Energy: 1.7893735356307694
Energy: 1.6953164139301122
Energy: 1.7797930396494772
Energy: 1.5173712075021768
Energy: 1.7797930396494772
Energy: 1.6953164139369414
Energy: 1.7797930396494772
Energy: 1.607202524784858
Energy: 1.7676071372922286
Energy: 1.715312146668242
Energy: 1.7676071372990576
Energy: 1.607202524791687
Energy: 1.7676071372922286
Energy: 1.535284149009922
Energy: 1.780022505445194
Energy: 1.817227018308879
Energy: 1.780022505445194
Energy: 1.535284149009922
Energy: 1.780022505445194
Energy: 1.6515261298721222
Energy: 1.6978256644196712
Energy: 1.6932602448786591
Energy: 1.6978256644196712
Energy: 1.6515261298721222
Energy: 1.697825664426376
Energy: 1.6263804274292453
Energy: 1.7982713902173522
Energy: 1.6403020494096816
Energy: 1.7982713902105232
Energy: 1.6263804274292453
Energy: 1.7982713902173522
Energy: 1.6578155921918207
Energy: 1.8606660323269588
Energy: 1.8391016306168768
Energy: 1.8606660323201298
Energy: 1.6578155921918207
Energy: 1.8606660323337878
Energy: 1.8572275531808775
Energy: 1.7664766844352588
Energy: 1.6645496642462536
Energy: 1.7664766844352588
Energy: 1.8572275531808775
Energy: 1.7664766844352588
Energy: 1.8249018265466563
Energy: 1.7296501217145448
Energy: 1.5810081535275555
Energy: 1.7296501217145448
Energy: 1.8249018265466563
Energy: 1.7296501217145448
Energy: 1.6278796154564186
Energy: 1.7833983145766752
Energy: 2.1290712068911755
Energy: 1.7833983145766752
Energy: 1.6278796154564186
Energy: 1.7833983145766752
Energy: 1.8738325385949344
Energy: 1.7965117439784073
Energy: 1.70009750237049
Energy: 1.7965117439784073
Energy: 1.8738325385949344
Energy: 1.7965117439784073
Energy: 1.7453133284729572
Energy: 1.7937204704582974
Energy: 1.6658040791582578
Energy: 1.7937204704582974
Energy: 1.745313328479786
Energy: 1.7937204704582974
Energy: 1.7499023930769217
Energy: 1.7643610592623158
Energy: 1.6441246262708717
Energy: 1.7643610592623158
Energy: 1.7499023930769217
Energy: 1.7643610592623158
Energy: 1.7497863117397865
Energy: 1.739284451776934
Energy: 1.767269288409525
Energy: 1.739284451776934
Energy: 1.7497863117534445
Energy: 1.739284451776934
Energy: 1.5089593922411666
Energy: 1.7811370235697688
Energy: 1.8163741118125822
Energy: 1.7811370235765978
Energy: 1.5089593922411666
Energy: 1.7811370235697688
Energy: 1.6459818607023589
Energy: 1.6995750048043778
Energy: 1.7058345273605444
Energy: 1.699575004797549
Energy: 1.6459818606955299
Energy: 1.699575004797549
Energy: 1.8515140381234234
Energy: 1.8396601717479584
Energy: 1.5889987159205299
Energy: 1.8396601717479584
Energy: 1.8515140381234234
Energy: 1.8396601717479584
Energy: 1.6252647268066553
Energy: 1.7292154858977624
Energy: 1.8989263308100341
Energy: 1.7292154858909337
Energy: 1.6252647268066553
Energy: 1.7292154858977624
Energy: 1.6363765166219764
Energy: 1.7518482590212188
Energy: 1.7516482896505061
Energy: 1.7518482590212188
Energy: 1.6363765166219764
Energy: 1.7518482590212188
Energy: 1.8266951361956414
Energy: 1.7331784838425834
Energy: 1.723721111452512
Energy: 1.7331784838425834
Energy: 1.8266951361956414
Energy: 1.7331784838425834
Energy: 1.6725519419370385
Energy: 1.7597215394142895
Energy: 1.860839345829802
Energy: 1.7597215394074606
Energy: 1.6725519419370385
Energy: 1.7597215394074606
Energy: 1.7084944943047926
Energy: 1.8473673300917466
Energy: 1.5019812906615493
Energy: 1.8473673300917466
Energy: 1.7084944943116216
Energy: 1.8473673300917466
Energy: 1.8651780412689318
Energy: 1.8081729768051493
Energy: 1.5019812906683783
Energy: 1.8081729767983203
Energy: 1.8651780412689318
Energy: 1.8081729768051493
Energy: 1.6837839617421577
Energy: 1.7545009535005938
Energy: 1.8657457447871504
Energy: 1.7545009535005938
Energy: 1.6837839617421577
Energy: 1.7545009535005938
Energy: 1.8662966912511796
Energy: 1.7329749346370455
Energy: 1.740059713793275
Energy: 1.7329749346370455
Energy: 1.8662966912580083
Energy: 1.7329749346370455
Energy: 1.6359709911751208
Energy: 1.7537621015866693
Energy: 1.7528401867552261
Energy: 1.7537621015866693
Energy: 1.6359709911751208
Energy: 1.7537621015866693
Energy: 1.6197309733665528
Energy: 1.7292154858977624
Energy: 1.8762979157149087
Energy: 1.7292154858909337
Energy: 1.6197309733665528
Energy: 1.7292154858977624
Energy: 1.851552885326248
Energy: 1.817438041093793
Energy: 1.534353918775571
Energy: 1.817438041086964
Energy: 1.851552885326248
Energy: 1.817438041086964
Energy: 1.6525335646880772
Energy: 1.699039059043764
Energy: 1.7466128228608544
Energy: 1.699039059043764
Energy: 1.6525335646880772
Energy: 1.699039059043764
Energy: 1.5093535813841563
Energy: 1.7765532080121658
Energy: 1.8152520201976465
Energy: 1.7765532080121658
Energy: 1.5093535813909855
Energy: 1.7765532080121658
Energy: 1.7475389825340448
Energy: 1.7364684012258496
Energy: 1.7831248446818437
Energy: 1.7364684012258496
Energy: 1.7475389825340448
Energy: 1.7364684012258496
Energy: 1.7488147872799897
Energy: 1.7753177597232788
Energy: 1.6427567492963702
Energy: 1.7753177597232788
Energy: 1.7488147872799897
Energy: 1.7753177597232788
Energy: 1.8730205866051555
Energy: 1.8073957135052758
Energy: 1.6650077557926624
Energy: 1.807395713498447
Energy: 1.8730205866051555
Energy: 1.8073957135052758
Energy: 1.7384648135894787
Energy: 1.7633529119166662
Energy: 1.7606889264744114
Energy: 1.7633529119166662
Energy: 1.7384648135894787
Energy: 1.7633529119166662
Energy: 1.6182271856678576
Energy: 1.7910366289086768
Energy: 2.1291033034472897
Energy: 1.791036628915506
Energy: 1.6182271856678576
Energy: 1.791036628915506
Energy: 1.8063513481800992
Energy: 1.7299474044945933
Energy: 1.5635654407753052
Energy: 1.7299474044945933
Energy: 1.8063513481800992
Energy: 1.7299474044945933
Energy: 1.8567176825834562
Energy: 1.7668749594487931
Energy: 1.664839244847025
Energy: 1.7668749594487931
Energy: 1.8567176825834562
Energy: 1.7668749594487931

minimum gb energy = 1.4980169367785838 eV
minimum distance =  2.23583489833976 Angstroms
sigma value = 51


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

Energy: 1.8695504375676524
Energy: 1.8327984682125034
Energy: 1.6161148391975406
Energy: 1.8327984682125034
Energy: 1.8695504375692347
Energy: 1.8327984682109213
Energy: 1.645361838485113
Energy: 1.9785790783884192
Energy: 2.0865383479385695
Energy: 1.9785790783836723
Energy: 1.645361838485113
Energy: 1.9785790783868369
Energy: 1.4978283808577117
Energy: 1.8324316346488538
Energy: 1.9962740340344212
Energy: 1.8324316346488538
Energy: 1.4978283808577117
Energy: 1.8324316346472715
Energy: 1.5106871558035329
Energy: 1.766023719863053
Energy: 2.0566031068818313
Energy: 1.7660237198646351
Energy: 1.5106871558035329
Energy: 1.766023719863053
Energy: 1.5154005906328687
Energy: 1.735285371944619
Energy: 1.9967689775330602
Energy: 1.7352853719462014
Energy: 1.5154005906281218
Energy: 1.735285371944619
Energy: 1.8692058691553515
Energy: 1.8057138808076498
Energy: 2.0335362395816046
Energy: 1.8057138808123967
Energy: 1.8692058691553515
Energy: 1.8057138808108144
Energy: 1.8707514112661756
Energy: 1.7359564636644482
Energy: 2.0410804968540313
Energy: 1.735956463669195
Energy: 1.870751411267758
Energy: 1.7359564636644482
Energy: 1.5112836099902796
Energy: 1.7339583448587033
Energy: 1.4778831185253944
Energy: 1.733958344857121
Energy: 1.5112836099886973
Energy: 1.7339583448539566
Energy: 2.0561099038265787
Energy: 1.747026104283153
Energy: 1.5103033164550064
Energy: 1.7470261042799884
Energy: 2.0561099038249964
Energy: 1.7470261042910644
Energy: 1.5003187634423485
Energy: 1.9064683555392388
Energy: 1.55506771959134
Energy: 1.9064683555424033
Energy: 1.5003187634423485
Energy: 1.9064683555376565
Energy: 2.0169884201485164
Energy: 1.7370151100163123
Energy: 2.0735475182268464
Energy: 1.7370151100163123
Energy: 2.016988420145352
Energy: 1.7370151100242235
Energy: 1.8756509664748555
Energy: 1.8317180011958385
Energy: 2.031660839349027
Energy: 1.8317180011990033
Energy: 1.8756509664748555
Energy: 1.831718001197421
Energy: 1.747393299841507
Energy: 1.7540868101768836
Energy: 2.051180386722011
Energy: 1.7540868101784657
Energy: 1.7473932998430894
Energy: 1.7540868101768836
Energy: 1.5005708043119488
Energy: 1.8366417993975312
Energy: 1.942994638515752
Energy: 1.8366417994006956
Energy: 1.5005708043119488
Energy: 1.836641799395949
Energy: 1.4980301288639544
Energy: 1.8622395253564838
Energy: 2.049030149931022
Energy: 1.8622395253564838
Energy: 1.4980301288639544
Energy: 1.862239525358066
Energy: 1.514877967104689
Energy: 1.7360796401593976
Energy: 2.0450956315506463
Energy: 1.7360796401625622
Energy: 1.5148779671062715
Energy: 1.7360796401593976
Energy: 1.878060216109515
Energy: 1.9058282745176607
Energy: 2.049346907369052
Energy: 1.9058282745160784
Energy: 1.878060216107933
Energy: 1.905828274514496
Energy: 1.873517058191163
Energy: 1.7345971472739004
Energy: 2.0434566684279707
Energy: 1.734597147278647
Energy: 1.8735170564974288
Energy: 1.7345971472754826

minimum gb energy = 1.4778831185253944 eV
minimum distance =  2.21431350090645 Angstroms
sigma value = 19


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

Energy: 2.003151617928644
Energy: 1.9642788333769097
Energy: 1.7118463437621432
Energy: 1.9642788333778485
Energy: 2.0031516179295825
Energy: 1.9642788333787868
Energy: 1.6119256434912546
Energy: 1.9220605042281733
Energy: 1.8138771159857712
Energy: 1.9220605042272345
Energy: 1.6119256434893774
Energy: 1.922060504226296
Energy: 1.5388447671942938
Energy: 1.9324014332817998
Energy: 1.836856358893531
Energy: 1.9324014332817998
Energy: 1.5388447671942938
Energy: 1.9324014332808612
Energy: 1.5655949164568994
Energy: 1.9255035463062977
Energy: 1.8685213596725347
Energy: 1.9255035463053594
Energy: 1.5655949164606537
Energy: 1.9255035463053594
Energy: 1.64781649643157
Energy: 1.9799135615807941
Energy: 2.035166937452278
Energy: 1.9799135615798555
Energy: 1.64781649643157
Energy: 1.9799135615789167
Energy: 2.0351522485378264
Energy: 1.9798938116303988
Energy: 1.6478872894637417
Energy: 1.9798938116247677
Energy: 2.0351522485378264
Energy: 1.9798938116275835
Energy: 1.8682347711318785
Energy: 1.8933271988077671
Energy: 1.565848949454128
Energy: 1.8933271988096443
Energy: 1.8682347711300014
Energy: 1.8933271988115212
Energy: 1.8360814335291644
Energy: 1.9332061951665487
Energy: 1.53883085134219
Energy: 1.9332061951665487
Energy: 1.836081433528226
Energy: 1.9332061951665487
Energy: 1.813905469937104
Energy: 1.921820280741082
Energy: 1.6093683241926406
Energy: 1.9218202807420206
Energy: 1.813905469940858
Energy: 1.9218202807420206
Energy: 1.8368199639479523
Energy: 1.9642788333769097
Energy: 2.003151617928644
Energy: 1.9642788333769097
Energy: 1.8368199639535838
Energy: 1.9642788333787868
Energy: 1.8138771159857712
Energy: 1.9220605042272345
Energy: 1.6062055748435289
Energy: 1.9220605042300503
Energy: 1.8138771159867095
Energy: 1.9220605042272345
Energy: 1.836856358893531
Energy: 1.9324014332799229
Energy: 1.5388447671942938
Energy: 1.9324014332799229
Energy: 1.8368563588916536
Energy: 1.9324014332808612
Energy: 1.8685213596762038
Energy: 1.9255035463053594
Energy: 1.5655949164587766
Energy: 1.9255035463053594
Energy: 1.8685213596734735
Energy: 1.9255035463081749
Energy: 2.035166937452278
Energy: 1.9799135615798555
Energy: 1.6478164964296929
Energy: 1.9799135615770398
Energy: 2.035166937452278
Energy: 1.9799135615789167
Energy: 1.6478872894637417
Energy: 1.9798938116228906
Energy: 1.967867277304902
Energy: 1.9798938116275835
Energy: 1.6478872894637417
Energy: 1.9798938116257063
Energy: 1.6195510708931737
Energy: 1.893327198816214
Energy: 1.86823477113094
Energy: 1.8933271988087057
Energy: 1.619551070892235
Energy: 1.8933271988115212
Energy: 1.5388308513412514
Energy: 1.9332061951674875
Energy: 1.836081433528226
Energy: 1.9332061951627946
Energy: 1.5388308513412514
Energy: 1.9332061951665487
Energy: 1.6093683241926406
Energy: 1.9218202807420206
Energy: 1.8139054699417967
Energy: 1.9218202807429587
Energy: 1.6093683241935792
Energy: 1.921820280741082
Energy: 2.0031516179295825
Energy: 1.9642788333769097
Energy: 1.8368199639451368
Energy: 1.9642788333750325
Energy: 2.0031516179295825
Energy: 1.9642788333769097
Energy: 1.6062055748444675
Energy: 1.9220605042272345
Energy: 1.8138771159848326
Energy: 1.9220605042272345
Energy: 1.606205574845406
Energy: 1.9220605042272345
Energy: 1.5388447671952323
Energy: 1.9324014332799229
Energy: 1.8368563588916536
Energy: 1.9324014332799229
Energy: 1.5388447671942938
Energy: 1.9324014332817998
Energy: 1.5655949164597154
Energy: 1.9255035463053594
Energy: 1.8685213596725347
Energy: 1.9255035463053594
Energy: 1.565594916457838
Energy: 1.9255035463053594
Energy: 1.6478164964306314
Energy: 1.9799135615807941
Energy: 2.0351669374513395
Energy: 1.9799135615770398
Energy: 1.6478164964306314
Energy: 1.9799135615807941
Energy: 1.8917429923434461
Energy: 1.9798938116228906
Energy: 1.6478872894628032
Energy: 1.9798938116303988
Energy: 1.891742992339692
Energy: 1.9798938116257063
Energy: 1.86823477113094
Energy: 1.8933271988087057
Energy: 1.6698697040593613
Energy: 1.8933271988087057
Energy: 1.8682347711300014
Energy: 1.8933271988124598
Energy: 1.8360814335319802
Energy: 1.9332061951627946
Energy: 1.5388308513412514
Energy: 1.93320619516561
Energy: 1.836081433528226
Energy: 1.9332061951627946
Energy: 1.813905469935227
Energy: 1.9218202807420206
Energy: 1.6093683241926406
Energy: 1.9218202807420206
Energy: 1.8139054699333497
Energy: 1.9218202807420206
Energy: 1.8368199639432596
Energy: 1.9642788333769097
Energy: 2.0031516179295825
Energy: 1.9642788333778485
Energy: 1.836819963947014
Energy: 1.9642788333769097
Energy: 1.8138771159857712
Energy: 1.922060504226296
Energy: 1.606205574845406
Energy: 1.9220605042281733
Energy: 1.8138771159867095
Energy: 1.922060504229112
Energy: 1.8368563588944695
Energy: 1.9324014332808612
Energy: 1.5388447671942938
Energy: 1.9324014332808612
Energy: 1.8368563588916536
Energy: 1.9324014332808612

minimum gb energy = 1.5388308513412514 eV
minimum distance =  2.21917190909217 Angstroms
sigma value = 27


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

Energy: 1.7321346517587133
Energy: 1.8992721198381806
Energy: 1.947111736923247
Energy: 1.8992721198381806
Energy: 1.7321346517610121
Energy: 1.8992721198381806
Energy: 1.5124875110974478
Energy: 1.7728716916862395
Energy: 1.7412619338734534
Energy: 1.7728716917206195
Energy: 1.5124875110974478
Energy: 1.7728716916954355
Energy: 1.7168022428287175
Energy: 1.9207665224988655
Energy: 1.7119230856153014
Energy: 1.9207665224988655
Energy: 1.7168022428287175
Energy: 1.9207665225011645
Energy: 1.529679451295832
Energy: 1.811813521249849
Energy: 1.5440523382779128
Energy: 1.811813521249849
Energy: 1.5296794512981309
Energy: 1.811813521249849
Energy: 1.7513268413817384
Energy: 1.8107427014134156
Energy: 1.5438559350161736
Energy: 1.810742701415715
Energy: 1.7513268413817384
Energy: 1.810742701415715
Energy: 1.7142952458058853
Energy: 1.773345823510187
Energy: 1.7825589015839465
Energy: 1.7733458235239805
Energy: 1.7142952458035863
Energy: 1.7733458235078878
Energy: 1.7891633062543735
Energy: 1.9758163903923638
Energy: 1.7124752731043953
Energy: 1.9758163903900647
Energy: 1.7891633062543735
Energy: 1.9758163903923638
Energy: 1.7367911570457637
Energy: 1.9036632666905533
Energy: 1.7610976613304894
Energy: 1.9036632666905533
Energy: 1.7367911570457637
Energy: 1.9036632666905533
Energy: 1.7967056019640222
Energy: 1.9647328861399835
Energy: 1.7192504772651485
Energy: 1.9647328861376847
Energy: 1.7967056019640222
Energy: 1.9647328861376847
Energy: 1.7170865793035885
Energy: 2.0131207332619185
Energy: 1.7165543408652773
Energy: 2.0131207332619185
Energy: 1.7170865793035885
Energy: 2.0131207332619185
Energy: 1.7458508615025508
Energy: 1.806255964144538
Energy: 1.5442770365456582
Energy: 1.806255964144538
Energy: 1.745850861500252
Energy: 1.806255964144538
Energy: 1.7480854465897533
Energy: 1.8012896051105471
Energy: 1.5282065663654223
Energy: 1.8012896051105471
Energy: 1.7480854465828564
Energy: 1.8012896051082483

minimum gb energy = 1.5124875110974478 eV
minimum distance =  2.23350574944177 Angstroms
sigma value = 9


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

Energy: 2.0458889653172867
Energy: 2.055308007387044
Energy: 1.7449333752530058
Energy: 2.055308007380584
Energy: 2.0458889653172867
Energy: 2.055308007380584
Energy: 1.8132091520893954
Energy: 2.0073484855007426
Energy: 1.7111085093915588
Energy: 1.9908911545147028
Energy: 1.8132091521023141
Energy: 2.0165251055719096
Energy: 1.6623948194573768
Energy: 1.9735523078303716
Energy: 1.7054832868003371
Energy: 1.9735523078368313
Energy: 1.6623948194573768
Energy: 1.973552307843291
Energy: 1.6044980695953635
Energy: 1.9213171433712746
Energy: 1.5783164153251217
Energy: 1.9213171433712746
Energy: 1.6044980695953635
Energy: 1.9213171433712746
Energy: 1.6073163003570614
Energy: 1.9540779742717476
Energy: 1.577718900125581
Energy: 1.9540779742717476
Energy: 1.6073163003570614
Energy: 1.9540779742717476
Energy: 1.5865001268108518
Energy: 1.9236178878659256
Energy: 1.7062413780259884
Energy: 1.9236178878659256
Energy: 1.5865001268108518
Energy: 1.9752585737257826
Energy: 1.873272493470184
Energy: 2.0098369860401055
Energy: 1.7886256638287465
Energy: 2.0098369860401055
Energy: 1.873272493470184
Energy: 2.0098369860336467
Energy: 1.83092477972125
Energy: 1.9233464709356993
Energy: 1.7712032340714363
Energy: 1.9233464709356993
Energy: 1.8309247797147907
Energy: 1.9233464709356993
Energy: 1.8110132184660603
Energy: 1.9157967490217713
Energy: 1.7883765390713509
Energy: 1.915796749015312
Energy: 1.8110132184660603
Energy: 1.915796749015312
Energy: 1.8323910266844956
Energy: 1.9909051654275032
Energy: 1.615822048289982
Energy: 1.9909051654275032
Energy: 1.8323910266844956
Energy: 1.9909051654339627
Energy: 1.871213140705285
Energy: 1.957064485730885
Energy: 1.7063840778998267
Energy: 1.957064485730885
Energy: 1.871213140705285
Energy: 1.957064485730885
Energy: 1.6688506173558966
Energy: 1.9252244902244777
Energy: 1.665268366733583
Energy: 1.9252244902244777
Energy: 1.6688506173558966
Energy: 1.9252244902244777
Energy: 1.5870480901013317
Energy: 1.8491448774473205
Energy: 1.579680188637293
Energy: 1.84914487745378
Energy: 1.5870480901013317
Energy: 1.84914487745378
Energy: 1.8747596985449957
Energy: 2.010464956495141
Energy: 1.5827780850445685
Energy: 2.010464956495141
Energy: 1.8747596985449957
Energy: 2.010464956495141
Energy: 1.672567361891323
Energy: 2.026332775177861
Energy: 1.728611807261914
Energy: 2.026332775177861
Energy: 1.672567361891323
Energy: 2.026332775177861
Energy: 1.734093680952631
Energy: 1.9488423129057162
Energy: 1.6661840534228298
Energy: 1.9488423129121757
Energy: 1.734093680952631
Energy: 1.9488423129057162
Energy: 1.8328849420153217
Energy: 2.0175136871402968
Energy: 1.6784643217170694
Energy: 2.0175136871402968
Energy: 1.832884942008862
Energy: 2.0175136871402968
Energy: 1.6784029175201463
Energy: 1.9874133428182197
Energy: 1.7073681224668504
Energy: 1.9874133428182197
Energy: 1.6784029175201463
Energy: 1.9874133428182197
Energy: 1.8261292019225484
Energy: 2.01656613914039
Energy: 1.5875088770967325
Energy: 2.01656613914039
Energy: 1.8261292019225484
Energy: 2.01656613914039
Energy: 1.5946308864804863
Energy: 2.0324131427660004
Energy: 1.5950273752811879
Energy: 2.0324131427660004
Energy: 1.5946308864804863
Energy: 2.0088263677218245
Energy: 1.5881135697697015
Energy: 2.0166272901474978
Energy: 1.825893700591875
Energy: 2.0166272901410385
Energy: 1.5881135697697015
Energy: 2.0166272901474978
Energy: 1.7072920003334395
Energy: 1.9870499541759687
Energy: 1.6785649503056246
Energy: 1.9870499541759687
Energy: 1.7072920003398993
Energy: 1.9870499541759687
Energy: 1.6784929434773168
Energy: 2.0176856028990855
Energy: 1.8328425423212515
Energy: 2.0176856028990855
Energy: 1.6784929434773168
Energy: 2.0176856028990855
Energy: 1.6669350153729545
Energy: 1.9488611443266561
Energy: 1.7346937186116473
Energy: 1.9488611443266561
Energy: 1.6669350153729545
Energy: 1.9488611443266561
Energy: 1.7292086806619544
Energy: 2.0267596251528817
Energy: 1.6725341556755964
Energy: 2.0267596251528817
Energy: 1.7292086806619544
Energy: 2.0267596251528817
Energy: 1.5820545831771222
Energy: 2.0100552171608763
Energy: 1.874683697364321
Energy: 2.0100552171545343
Energy: 1.5820545831642032
Energy: 2.010055217167336
Energy: 1.5792857105275382
Energy: 1.848190714349942
Energy: 1.587420975272211
Energy: 1.8481907143434826
Energy: 1.5792857105210785
Energy: 1.8481907143434826
Energy: 1.6649514709978273
Energy: 1.92523341711334
Energy: 1.6689748838636165
Energy: 1.92523341711334
Energy: 1.6649514709978273
Energy: 1.92523341711334
Energy: 1.7063255991923374
Energy: 1.957647965821018
Energy: 1.7270434802802166
Energy: 1.957647965821018
Energy: 1.7063255991923374
Energy: 1.957647965821018
Energy: 1.6159012404603756
Energy: 1.991402870229769
Energy: 1.8329925343982532
Energy: 1.991402870229769
Energy: 1.6159012404603756
Energy: 1.991402870229769
Energy: 1.7307287593117686
Energy: 1.9157967490217713
Energy: 1.8072943557360621
Energy: 1.9157967490217713
Energy: 1.7307287593117686
Energy: 1.9157967490217713
Energy: 1.7714441709629167
Energy: 1.9235436399131038
Energy: 1.8307189950794027
Energy: 1.9235436399131038
Energy: 1.7714441709629167
Energy: 1.9235436399131038
Energy: 1.788805906787214
Energy: 2.0097737599754564
Energy: 2.0472801718553746
Energy: 2.009773759968997
Energy: 1.788805906787214
Energy: 2.0097737599754564
Energy: 1.7067443833863603
Energy: 1.8469272111961899
Energy: 1.5864479425690965
Energy: 1.8469272112155684
Energy: 1.7067443833863603
Energy: 1.8469272111961899
Energy: 1.6395775381015143
Energy: 1.983177665164018
Energy: 1.6079670960762746
Energy: 1.983177665164018
Energy: 1.6395775380950546
Energy: 1.983177665164018
Energy: 1.5778072344179368
Energy: 1.9516302196521158
Energy: 1.604480844742458
Energy: 1.9516302196456563
Energy: 1.5778072344179368
Energy: 1.9516302196521158
Energy: 1.6760870893231847
Energy: 1.9743052657373539
Energy: 1.662388223607214
Energy: 1.9743052657373539
Energy: 1.6760870893296445
Energy: 1.9743052657308944
Energy: 1.7109462625286507
Energy: 1.9908911545147028
Energy: 1.8132128304673507
Energy: 1.9908911545147028
Energy: 1.7109462625286507
Energy: 1.9908911545147028
Energy: 1.880052168127833
Energy: 2.055308007380584
Energy: 2.0458889653172867
Energy: 2.055308007380584
Energy: 1.8800521681730498
Energy: 2.055308007380584
Energy: 1.7111085093980183
Energy: 2.0165251055719096
Energy: 1.8132091521023141
Energy: 2.0165251055719096
Energy: 1.7111085093980183
Energy: 2.01652510556545
Energy: 1.7054832868003371
Energy: 1.9735523078368313
Energy: 1.6623948194573768
Energy: 1.973552307843291
Energy: 1.7054832868003371
Energy: 1.973552307843291
Energy: 1.578316415331581
Energy: 1.9213171433712746
Energy: 1.6044980695953635
Energy: 1.9213171433712746
Energy: 1.5783164153251217
Energy: 1.9213171433712746
Energy: 1.5777189001191214
Energy: 1.9540779742717476
Energy: 1.6073163003570614
Energy: 1.9540779742717476
Energy: 1.577718900125581
Energy: 1.9540779742717476

minimum gb energy = 1.5777189001191214 eV
minimum distance =  2.18807415847254 Angstroms
sigma value = 57


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

Energy: 1.7445950384912314
Energy: 1.8286055499425895
Energy: 1.711574289911092
Energy: 1.828605549948471
Energy: 1.7445950384927016
Energy: 1.828605549948471
Energy: 1.790297738424681
Energy: 1.8554451079040062
Energy: 1.480765289331359
Energy: 1.8554451079054766
Energy: 1.7902977384276217
Energy: 1.8554451078981247
Energy: 1.438322483190067
Energy: 1.8075636227515108
Energy: 1.618585398579247
Energy: 1.8075636227515108
Energy: 1.4383224831885966
Energy: 1.8075636227529812
Energy: 1.4857537641960774
Energy: 1.793463926733766
Energy: 1.541965436979313
Energy: 1.7934639267322956
Energy: 1.4857537641975478
Energy: 1.7934639267381773
Energy: 1.486830064215627
Energy: 1.8295499303194713
Energy: 1.4938100887189896
Energy: 1.829549930318001
Energy: 1.486830064215627
Energy: 1.8295499303135894
Energy: 1.814997508379896
Energy: 1.7910337066476831
Energy: 1.4451683471143464
Energy: 1.7910337066535646
Energy: 1.8149975083813663
Energy: 1.7910337066462128
Energy: 1.815056601341974
Energy: 1.7914490311915294
Energy: 1.4451769692117
Energy: 1.791449031190059
Energy: 1.8150566013405036
Energy: 1.791449031190059
Energy: 1.4866971328589056
Energy: 1.8297315026201908
Energy: 1.5353678645894624
Energy: 1.8297315026260725
Energy: 1.4866971328574352
Energy: 1.829731502630484
Energy: 1.4848994190935252
Energy: 1.7959221585982996
Energy: 1.480618357764657
Energy: 1.7959221585938883
Energy: 1.4848994190935252
Energy: 1.7959221586115335
Energy: 1.4384087080654409
Energy: 1.8075907762483567
Energy: 1.6180737806139232
Energy: 1.8075907762468864
Energy: 1.4384087080639705
Energy: 1.8075907762468864
Energy: 1.790689186967101
Energy: 1.8554451079054766
Energy: 1.540866297317364
Energy: 1.855445107899595
Energy: 1.7906891869847463
Energy: 1.8554451079054766
Energy: 1.7445950384912314
Energy: 1.8286055499470004
Energy: 1.5670392789463643
Energy: 1.8286055499352374
Energy: 1.7445950384927016
Energy: 1.8286055499425895
Energy: 1.7902977384290921
Energy: 1.8554451079040062
Energy: 1.4807652893328294
Energy: 1.8554451078981247
Energy: 1.7902977384276217
Energy: 1.8554451079025358
Energy: 1.4383224831885966
Energy: 1.8075636227515108
Energy: 1.618585398574836
Energy: 1.8075636227500405
Energy: 1.4383224831885966
Energy: 1.8075636227515108
Energy: 1.4857537641990182
Energy: 1.7934639267352366
Energy: 1.4700516289639085
Energy: 1.7934639267278845
Energy: 1.4857537641960774
Energy: 1.7934639267425887
Energy: 1.4868300642141565
Energy: 1.82954993031506
Energy: 1.4938100887219303
Energy: 1.8295499303135894
Energy: 1.4868300642141565
Energy: 1.82954993031506
Energy: 1.8149975083813663
Energy: 1.7910337066388606
Energy: 1.4451683471143464
Energy: 1.7910337066373903
Energy: 1.8149975083813663
Energy: 1.791033706640331
Energy: 1.8150566013434444
Energy: 1.7914490311915294
Energy: 1.4451769692117
Energy: 1.7914490311915294
Energy: 1.8150566013434444
Energy: 1.7914490311915294
Energy: 1.4866971328589056
Energy: 1.8297315026290133
Energy: 1.4705583162426636
Energy: 1.829731502627543
Energy: 1.486697132860376
Energy: 1.8297315026290133

minimum gb energy = 1.4383224831885966 eV
minimum distance =  2.18398877475415 Angstroms
sigma value = 11


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

Energy: 1.4292114350316418
Energy: 1.866541092674128
Energy: 1.7149314068844415
Energy: 1.8665410926709947
Energy: 1.4292114350261584
Energy: 1.8665410926784365
Energy: 2.1287287718031314
Energy: 1.6811956567915831
Energy: 1.3630081825335716
Energy: 1.681195656780812
Energy: 2.128728771799998
Energy: 1.6811956567537862
Energy: 1.546293856707341
Energy: 1.6975354885087146
Energy: 1.528237704139643
Energy: 1.6975354885130232
Energy: 1.546293856706166
Energy: 1.6975354885130232
Energy: 1.822053492651914
Energy: 1.6579872455942355
Energy: 1.3648586204728888
Energy: 1.6579872455889477
Energy: 1.82205349264976
Energy: 1.6579872455899272
Energy: 1.3560430417127418
Energy: 1.8210448825928895
Energy: 1.3724123083178472
Energy: 1.8210448825983727
Energy: 1.3560430417137213
Energy: 1.8210448825928895
Energy: 1.3728049562222993
Energy: 1.7576492779837847
Energy: 1.3613463361842617
Energy: 1.757649277985939
Energy: 1.37280495622132
Energy: 1.7576492779849597
Energy: 1.3770484243446404
Energy: 1.8061829256291735
Energy: 1.3567684584749156
Energy: 1.8061829256313275
Energy: 1.3770484243467946
Energy: 1.8061829256270192
Energy: 1.8535966617805855
Energy: 1.8087241637518592
Energy: 1.3894648884440541
Energy: 1.8087241637540135
Energy: 1.853596661784894
Energy: 1.8087241637528384
Energy: 1.8507489177844891
Energy: 1.8562700903273628
Energy: 1.8206879507736042
Energy: 1.8562700903316713
Energy: 1.8507489177823349
Energy: 1.8562700903273628
Energy: 1.371704601149328
Energy: 1.6863753092906077
Energy: 1.3616435073103768
Energy: 1.6863753092884537
Energy: 1.3717046011471736
Energy: 1.6863753092853202
Energy: 1.3764424350559579
Energy: 1.7633096588141128
Energy: 1.356015398648374
Energy: 1.763309658816267
Energy: 1.376442435057133
Energy: 1.763309658816267
Energy: 1.3542403917196615
Energy: 1.8529596101613452
Energy: 1.3620026931069618
Energy: 1.8529596101613452
Energy: 1.3542403917186825
Energy: 1.8529596101601702
Energy: 1.8520853195848432
Energy: 1.6644481707709944
Energy: 1.3725349175302337
Energy: 1.6644481707633565
Energy: 1.8520853195783804
Energy: 1.6644481707645316
Energy: 1.353293774583573
Energy: 1.6671379894956455
Energy: 1.3766024817639748
Energy: 1.667137989503283
Energy: 1.3532937745876856
Energy: 1.6671379894999538
Energy: 2.1300670186796427
Energy: 1.683300074582029
Energy: 1.356458638977943
Energy: 1.6833000745755662
Energy: 2.1300670186796427
Energy: 1.6833000745777205
Energy: 1.3766678222057065
Energy: 1.8148607898472922
Energy: 1.6294113301765811
Energy: 1.814860789846313
Energy: 1.3766678222068813
Energy: 1.8148607898494464
Energy: 2.143559209964474
Energy: 1.6813679415921758
Energy: 1.3715639471271706
Energy: 1.6813679415845382
Energy: 2.143559209964474
Energy: 1.6813679415792504
Energy: 1.3542378993643425
Energy: 1.6721923750232703
Energy: 1.387968677121827
Energy: 1.6721923750189618
Energy: 1.3542378993751136
Energy: 1.6721923750199408
Energy: 1.8254862562056635
Energy: 1.6797304237465813
Energy: 1.356814732331184
Energy: 1.6797304237487358
Energy: 1.8254862562035092
Energy: 1.6797304237465813
Energy: 1.354514461565048
Energy: 1.7793720131598265
Energy: 1.3693128119773383
Energy: 1.7793720131576725
Energy: 1.3545144615628937
Energy: 1.7793720131586517
Energy: 1.929825332781452
Energy: 1.7543524800783332
Energy: 1.3661739250114397
Energy: 1.754352480076179
Energy: 1.929825332782627
Energy: 1.7543524800750039
Energy: 1.3712566471738508
Energy: 1.7972671922933128
Energy: 1.3536705827555255
Energy: 1.7972671922921377
Energy: 1.3712566471738508
Energy: 1.7972671922868504
Energy: 1.8558883249832656
Energy: 1.808123418542255
Energy: 1.3953465374892904
Energy: 1.8081234185444093
Energy: 1.85588832498542
Energy: 1.8081234185432342
Energy: 1.3539383075621505
Energy: 1.8645857822907033
Energy: 1.8477114765979044
Energy: 1.8645857822940328
Energy: 1.3539383075611713
Energy: 1.864585782295012
Energy: 1.368393064460484
Energy: 1.6889634068919357
Energy: 1.3669084088240224
Energy: 1.6889634068780313
Energy: 1.368393064460484
Energy: 1.6889634068940897
Energy: 1.370416668503682
Energy: 1.7681791326295462
Energy: 1.3535194696651427
Energy: 1.7681791326317002
Energy: 1.370416668501528
Energy: 1.7681791326273917

minimum gb energy = 1.353293774583573 eV
minimum distance =  2.24100453387833 Angstroms
sigma value = 41


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

Energy: 1.8655836678195814
Energy: 1.6756658987201747
Energy: 1.6120700035910478
Energy: 1.6756658987235706
Energy: 1.8655836678170346
Energy: 1.6756658987269661
Energy: 2.059900702390694
Energy: 1.5092153540357767
Energy: 1.2266551433645252
Energy: 1.5092153540323807
Energy: 2.059900702390694
Energy: 1.5092153540315318
Energy: 1.2949962535923742
Energy: 1.593253758893747
Energy: 1.4123240134633275
Energy: 1.5932537588962936
Energy: 1.2949962535923742
Energy: 1.593253758893747
Energy: 1.8539016718526315
Energy: 1.4788901019680398
Energy: 1.2263695599877433
Energy: 1.4788901019603993
Energy: 1.8539016718560273
Energy: 1.4788901019654932
Energy: 1.2881753755334717
Energy: 1.4943266167020832
Energy: 1.2403729323643358
Energy: 1.49432661670463
Energy: 1.2881753755385652
Energy: 1.494326616706328
Energy: 1.6049574387005159
Energy: 1.5861017092342284
Energy: 1.2270758742367893
Energy: 1.5861017092333793
Energy: 1.6049574386988181
Energy: 1.5861017092350775
Energy: 1.2391657459832404
Energy: 1.5936361238506518
Energy: 1.2220128733151827
Energy: 1.593636123848954
Energy: 1.2391657459823917
Energy: 1.593636123851501
Energy: 1.6965242266333505
Energy: 1.6186319055909146
Energy: 1.256300023670994
Energy: 1.6186319055909146
Energy: 1.6965242266325014
Energy: 1.6186319055917635
Energy: 1.2500713990499117
Energy: 1.5856614541232568
Energy: 1.5929279277643074
Energy: 1.5856614541241056
Energy: 1.2500713990516097
Energy: 1.5856614541300484
Energy: 1.6190800874368827
Energy: 1.6057763128818374
Energy: 1.6013026441382474
Energy: 1.6057763128818374
Energy: 1.6190800874334867
Energy: 1.6057763128835352
Energy: 1.6140159914151817
Energy: 1.6618710909487644
Energy: 1.6006029625057696
Energy: 1.6618710909487644
Energy: 1.6140159914143328
Energy: 1.6618710909496133
Energy: 1.2419230585471317
Energy: 1.6151939372333755
Energy: 1.2575767975444128
Energy: 1.6267281694740119
Energy: 1.2419230585462828
Energy: 1.6151939372342243
Energy: 1.2532451860518599
Energy: 1.5854061376933277
Energy: 1.5791957649580493
Energy: 1.5854061376916295
Energy: 1.253245186053558
Energy: 1.5854061376916295
Energy: 1.2247604808604193
Energy: 1.6058888704230845
Energy: 1.2280815352953565
Energy: 1.6058888704230845
Energy: 1.2247604808604193
Energy: 1.6058888704230845
Energy: 1.6004070687064538
Energy: 1.579727772316538
Energy: 1.2212941114837013
Energy: 1.5797277723182357
Energy: 1.6004070687064538
Energy: 1.579727772316538
Energy: 1.2248942118377695
Energy: 1.6154138860347236
Energy: 1.2280723111190661
Energy: 1.6166314760767155
Energy: 1.22489421184541
Energy: 1.6154138860347236
Energy: 1.5816114657765092
Energy: 1.602819478785796
Energy: 1.2402956425426475
Energy: 1.6028194787849472
Energy: 1.5816114657680198
Energy: 1.602819478786645
Energy: 1.2413749918250598
Energy: 1.605855960654539
Energy: 1.2457370302944017
Energy: 1.605855960654539
Energy: 1.2413749918284556
Energy: 1.605855960654539
Energy: 2.056652066370229
Energy: 1.5117558108658469
Energy: 1.2210002354047136
Energy: 1.5117558108599043
Energy: 2.0566520663736245
Energy: 1.5117558108734874
Energy: 1.8501410657902928
Energy: 1.596492712957582
Energy: 1.6215791804731605
Energy: 1.647314185135021
Energy: 1.850141065791142
Energy: 1.5964927129601292
Energy: 2.052661285105091
Energy: 1.5045204166449149
Energy: 1.2400706125005945
Energy: 1.5045204166568005
Energy: 2.0526612851042425
Energy: 1.5045204166491597
Energy: 1.2401888838283495
Energy: 1.6328944749543368
Energy: 1.2465125402501518
Energy: 1.6328944749534877
Energy: 1.2401888838241046
Energy: 1.6328944749543368
Energy: 1.876136937648036
Energy: 1.4760853706183386
Energy: 1.2205019443579692
Energy: 1.4760853706191877
Energy: 1.8761369376488846
Energy: 1.4760853706183386
Energy: 1.2233141425993028
Energy: 1.5841474330785899
Energy: 1.4238934258960452
Energy: 1.5378104950269555
Energy: 1.223314142598454
Energy: 1.5841474330794387
Energy: 1.426819275725637
Energy: 1.5864313163799086
Energy: 1.232542447310966
Energy: 1.5864313163807575
Energy: 1.4268192757247882
Energy: 1.5864313163807575
Energy: 1.224350842225144
Energy: 1.4778490316547308
Energy: 1.4039084715751124
Energy: 1.4778490316589756
Energy: 1.224350842225144
Energy: 1.5103529767423702
Energy: 1.69857768926156
Energy: 1.6187819769796303
Energy: 1.2420144960813062
Energy: 1.6187819769780094
Energy: 1.69857768926156
Energy: 1.6187819769796303
Energy: 1.2420272152160996
Energy: 1.6283438310846503
Energy: 1.8234048144585588
Energy: 1.5493955640333978
Energy: 1.2420272152152503
Energy: 1.6283438310829526
Energy: 1.661902539326093
Energy: 1.5946715412127204
Energy: 1.6001172055347634
Energy: 1.5946715412144181
Energy: 1.661902539326093
Energy: 1.5946715412144181
Energy: 1.2223646459572663
Energy: 1.540428357535409
Energy: 1.8266305219881447
Energy: 1.540428357535409
Energy: 1.2223646459564175
Energy: 1.5742651700529477
Energy: 1.2394877651750655
Energy: 1.5983727161110353
Energy: 1.2414774620490443
Energy: 1.5983727161101866
Energy: 1.2394877651750655
Energy: 1.5983727161110353
Energy: 1.2417242728801146
Energy: 1.666921124753071
Energy: 1.5807293543612582
Energy: 1.66692112475392
Energy: 1.2417242728809634
Energy: 1.666921124751373
Energy: 1.2212497759730159
Energy: 1.5990414159762945
Energy: 1.2327085561298798
Energy: 1.5990414159779922
Energy: 1.2212497759730159
Energy: 1.5990414159762945

minimum gb energy = 1.2205019443579692 eV
minimum distance =  2.23862257276735 Angstroms
sigma value = 33


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

Energy: 1.5731526625357846
Energy: 1.4324684325933494
Energy: 1.3079696249743082
Energy: 1.4324684325993076
Energy: 1.5731526625179106
Energy: 1.4324684325933494
Energy: 2.191167201884026
Energy: 1.2949268774975622
Energy: 1.099551767357636
Energy: 1.2949268775273521
Energy: 2.191167201884026
Energy: 1.2949268775154363
Energy: 1.5363564497124267
Energy: 1.4316115282247224
Energy: 1.2955386507645836
Energy: 1.4316115282247224
Energy: 1.5363564497124267
Energy: 1.4316115282247224
Energy: 2.056765606698748
Energy: 1.2832350212141774
Energy: 1.0987666628097372
Energy: 1.2832350212380093
Energy: 2.056765606698748
Energy: 1.2832350212201356
Energy: 1.147370956118863
Energy: 1.418848753017957
Energy: 1.1027741735095669
Energy: 1.418848753017957
Energy: 1.147370956118863
Energy: 1.4188487530239147
Energy: 1.6648943542178107
Energy: 1.3655293454689355
Energy: 1.1005955216585637
Energy: 1.3655293454689355
Energy: 1.664894354205895
Energy: 1.3655293454570196
Energy: 1.1299477930404873
Energy: 1.383852741430735
Energy: 1.0944955199697692
Energy: 1.3838527414247765
Energy: 1.1299477930404873
Energy: 1.3838527414247765
Energy: 1.5098003503120407
Energy: 1.3836060846461884
Energy: 1.1036409706759263
Energy: 1.3836060846461884
Energy: 1.509800350306083
Energy: 1.3836060846521463
Energy: 1.1124795195722825
Energy: 1.421527156102799
Energy: 1.453470269865631
Energy: 1.421527156108757
Energy: 1.1124795195722825
Energy: 1.421527156102799
Energy: 1.3497391741061766
Energy: 1.4061331584615666
Energy: 1.4656839846520888
Energy: 1.4061331584615666
Energy: 1.3497391741061766
Energy: 1.4061331584615666
Energy: 1.107684293626029
Energy: 1.3834118926796635
Energy: 1.4550124487230174
Energy: 1.3834118926796635
Energy: 1.107684293626029
Energy: 1.3834118926796635
Energy: 1.727466887709658
Energy: 1.4249748273341876
Energy: 1.5106129222599767
Energy: 1.4249748273341876
Energy: 1.7274668877036996
Energy: 1.4249748273282297
Energy: 1.35264879535698
Energy: 1.419224340942716
Energy: 1.6593341824450298
Energy: 1.4192243409486742
Energy: 1.35264879535698
Energy: 1.419224340942716
Energy: 1.4002784762723999
Energy: 1.4269697981649636
Energy: 1.666608340885507
Energy: 1.4269697981649636
Energy: 1.4002784762723999
Energy: 1.4269697981709217
Energy: 1.3645039611330583
Energy: 1.4383631171506617
Energy: 1.6697980777039914
Energy: 1.4383631171506617
Energy: 1.3645039611330583
Energy: 1.4383631171506617
Energy: 1.3963656726639704
Energy: 1.4246100758988787
Energy: 1.5103345274356175
Energy: 1.4246100758988787
Energy: 1.3963656726639704
Energy: 1.4246100758988787
Energy: 1.3524123687935976
Energy: 1.4605963491250047
Energy: 1.6902683971890848
Energy: 1.4605963491250047
Energy: 1.3524123687935976
Energy: 1.4605963491250047
Energy: 1.0951833817197438
Energy: 1.426394103878191
Energy: 1.464178274934928
Energy: 1.426394103878191
Energy: 1.0951833817197438
Energy: 1.426394103878191
Energy: 1.3625995338409675
Energy: 1.4137211823629185
Energy: 1.4541780561946274
Energy: 1.4137211823629185
Energy: 1.3625995338409675
Energy: 1.4137211823629185
Energy: 1.102266404828195
Energy: 1.4242739456899136
Energy: 1.1043713686503365
Energy: 1.4242739456899136
Energy: 1.102266404828195
Energy: 1.4242739456839555
Energy: 1.3528331908616524
Energy: 1.415643470162019
Energy: 1.4523001562144782
Energy: 1.415643470162019
Energy: 1.3528331908616524
Energy: 1.415643470167977
Energy: 1.1154442897485333
Energy: 1.4252300149873618
Energy: 1.101386741595647
Energy: 1.4252300149873618
Energy: 1.1154442897485333
Energy: 1.4252300149873618
Energy: 1.6781540205910246
Energy: 1.42761776426814
Energy: 1.0932781873047
Energy: 1.427617764262182
Energy: 1.6781540205910246
Energy: 1.42761776426814
Energy: 1.131983297675478
Energy: 1.423572166166712
Energy: 1.096994170718413
Energy: 1.423572166160754
Energy: 1.131983297675478
Energy: 1.423572166160754
Energy: 1.8736027200592515
Energy: 1.4311297634649245
Energy: 1.3962666237398398
Energy: 1.4311297634649245
Energy: 1.8736027200592515
Energy: 1.4311297634649245
Energy: 1.51778290092169
Energy: 1.4240245273773462
Energy: 1.1053940439588001
Energy: 1.424024527371388
Energy: 1.5177829009276482
Energy: 1.4240245273773462
Energy: 2.1985760427594747
Energy: 1.3307879104426685
Energy: 1.0933708325881337
Energy: 1.3307879104367104
Energy: 2.1985760427594747
Energy: 1.3307879104367104
Energy: 1.560462842200263
Energy: 1.4235824094419927
Energy: 1.4074656956301634
Energy: 1.4235824094419927
Energy: 1.560462842200263
Energy: 1.4235824094479503
Energy: 1.8410759698351156
Energy: 1.3979200297831933
Energy: 1.3958554204313334
Energy: 1.3979200297831933
Energy: 1.8410759698351156
Energy: 1.3979200297772354
Energy: 1.5177298592905015
Energy: 1.4230272763503742
Energy: 1.3741102411707362
Energy: 1.423027276344416
Energy: 1.5177298592905015
Energy: 1.4230272763503742
Energy: 1.8510588417477536
Energy: 1.2823772672944544
Energy: 1.0943576863458653
Energy: 1.2823772673063705
Energy: 1.8510588417477536
Energy: 1.2823772672944544
Energy: 1.1316888946958341
Energy: 1.4047045521541708
Energy: 1.3864157266292598
Energy: 1.4047045521601291
Energy: 1.13168889467796
Energy: 1.4047045521601291
Energy: 1.5596719273419644
Energy: 1.3670883971108099
Energy: 1.1020824951326909
Energy: 1.3670883971108099
Energy: 1.5596719273419644
Energy: 1.3670883971108099
Energy: 1.1147110918160483
Energy: 1.3699712075315298
Energy: 1.7203086858841758
Energy: 1.369971207537488
Energy: 1.1147110918160483
Energy: 1.369971207537488
Energy: 1.7199963518323262
Energy: 1.370159260978237
Energy: 1.1148994663047915
Energy: 1.370159260978237
Energy: 1.7199963518323262
Energy: 1.370159260978237
Energy: 1.1015722960933074
Energy: 1.3670142314902891
Energy: 1.5599678090216038
Energy: 1.3670142314902891
Energy: 1.101572296099265
Energy: 1.3670142314902891
Energy: 1.3862366036384675
Energy: 1.4046011761962578
Energy: 1.1321904326107644
Energy: 1.4046011761962578
Energy: 1.3862366036384675
Energy: 1.4046011761962578
Energy: 1.0945372259622388
Energy: 1.2853474140666412
Energy: 1.851165590284309
Energy: 1.2853474140606829
Energy: 1.0945372259622388
Energy: 1.2853474140547252
Energy: 1.3741102411410544
Energy: 1.4231138677874373
Energy: 1.5180393485343
Energy: 1.4231138677874373
Energy: 1.3741102411410544
Energy: 1.4231138677933952
Energy: 1.2788444158542034
Energy: 1.3990825855775801
Energy: 1.8412112541148191
Energy: 1.3990825855716218
Energy: 1.2788444158542034
Energy: 1.3990825855775801
Energy: 1.4082239638769298
Energy: 1.4236767643805597
Energy: 1.5594566094772682
Energy: 1.4236767643805597
Energy: 1.4082239638769298
Energy: 1.4236767643805597
Energy: 1.093397682944004
Energy: 1.330689801031414
Energy: 2.1989543519660897
Energy: 1.330689801025456
Energy: 1.093397682938046
Energy: 1.330689801031414
Energy: 1.1053217877663661
Energy: 1.4238290054579419
Energy: 1.5178370554088514
Energy: 1.4238290054579419
Energy: 1.1053217877663661
Energy: 1.4238290054579419
Energy: 1.2762295547928222
Energy: 1.4318876768073383
Energy: 1.8730560984097784
Energy: 1.4318876768073383
Energy: 1.27622955479878
Energy: 1.4318876768073383
Energy: 1.096921664745901
Energy: 1.423625831366634
Energy: 1.1315715513743059
Energy: 1.423625831366634
Energy: 1.096921664745901
Energy: 1.423625831366634
Energy: 1.0935574031957587
Energy: 1.42761776426814
Energy: 1.6782133444747753
Energy: 1.42761776426814
Energy: 1.0935574031957587
Energy: 1.42761776426814
Energy: 1.1006912431517122
Energy: 1.4260984771835497
Energy: 1.1154574585449661
Energy: 1.4260984771835497
Energy: 1.1006912431457543
Energy: 1.4260984771835497

minimum gb energy = 1.0932781873047 eV
minimum distance =  2.24495320728983 Angstroms
sigma value = 67


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

Energy: 0.45833012604817397
Energy: 0.37098485495871064
Energy: 1.3024995318140036
Energy: 0.37098485495871064
Energy: 0.4583301260442825
Energy: 0.37098485496269257
Energy: 0.35026759897428156
Energy: 0.8634641399387845
Energy: 0.7794210342529928
Energy: 0.8634641399387845
Energy: 0.35026759897428156
Energy: 0.8634641399387845
Energy: 0.45833012604817397
Energy: 0.37098485495871064
Energy: 1.3025001772405176
Energy: 0.37098485495871064
Energy: 0.45833012604817397
Energy: 0.37098485495871064
Energy: 0.35026759897029974
Energy: 0.8634641399348025
Energy: 0.7794210342847576
Energy: 0.8634641399387845
Energy: 0.35026759897029974
Energy: 0.8634641399387845
Energy: 0.4583301260442825
Energy: 0.37098485496269257
Energy: 1.3024985473097803
Energy: 0.37098485495871064
Energy: 0.45833012604817397
Energy: 0.37098485495871064
Energy: 0.35026759897029974
Energy: 0.8634641399387845
Energy: 0.779421034129553
Energy: 0.8634641399387845
Energy: 0.35026759897029974
Energy: 0.8634641399348025
Energy: 0.4583301260442825
Energy: 0.37098485495871064
Energy: 1.3024929766357078
Energy: 0.37098485496269257
Energy: 0.4583301260521559
Energy: 0.37098485495871064

minimum gb energy = 0.35026759897029974 eV
minimum distance =  2.41870162327061 Angstroms
sigma value = 3


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

Energy: 1.857258761408303
Energy: 1.4509891801952057
Energy: 1.3813095016780534
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Energy: 1.094898909365346
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Energy: 1.7636726229703774
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Energy: 1.1642576405708085
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Energy: 1.8186609799322442
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Energy: 1.8179519647212796
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Energy: 1.4281690121288624
Energy: 1.8312322404534818
Energy: 1.4250073885797054
Energy: 1.0778333767017625
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Energy: 1.8312322404534818
Energy: 1.425007388574385
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Energy: 1.075754444503639
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Energy: 1.0883461305640079
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Energy: 1.8059263012063371
Energy: 1.3827119684484945
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Energy: 1.4122430289124905
Energy: 1.1350269881269286
Energy: 1.4122430289124905
Energy: 1.4976928957304378
Energy: 1.4122430289124905
Energy: 1.7526226154797473
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Energy: 1.1665412454486608
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Energy: 1.4868570987211445
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Energy: 1.449084144875095
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Energy: 1.4868570987211445
Energy: 1.4044124762417682
Energy: 1.4898577985038965
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Energy: 1.4898577985038965
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Energy: 1.4094933959601752
Energy: 1.444907187342245
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Energy: 1.1712024032160024
Energy: 1.4094933959601752
Energy: 1.4304236187487305
Energy: 1.4284864052336794
Energy: 1.4949346290173369
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Energy: 1.4284864052336794
Energy: 1.1646909375629875
Energy: 1.3479208523101265
Energy: 1.7657470677168832
Energy: 1.3479208523048063
Energy: 1.1646909375629875
Energy: 1.3479208523048063
Energy: 1.169262645320254
Energy: 1.4226792828486972
Energy: 1.5065574585969848
Energy: 1.4226792828486972
Energy: 1.169262645320254
Energy: 1.4226792828486972
Energy: 1.0952516934981966
Energy: 1.2969007980964466
Energy: 1.7667125086678872
Energy: 1.2969007980964466
Energy: 1.0952516934981966
Energy: 1.2969007980964466
Energy: 1.1576044825121432
Energy: 1.428368572202679
Energy: 1.8309713271650758
Energy: 1.428368572202679
Energy: 1.1576044825121432
Energy: 1.428368572202679
Energy: 1.0868505976542928
Energy: 1.15278161449435
Energy: 2.008310248135787
Energy: 1.15278161449435
Energy: 1.0868505976542928
Energy: 1.15278161449435
Energy: 1.090171998107705
Energy: 1.4449327675118933
Energy: 1.7611915069815829
Energy: 1.4449327675118933
Energy: 1.090171998107705
Energy: 1.4449327675118933
Energy: 1.0961067133393452
Energy: 1.1523338016610705
Energy: 1.930646363686976
Energy: 1.1523338016557505
Energy: 1.0961067133393452
Energy: 1.1523338016610705
Energy: 1.1531160269041425
Energy: 1.4283582294713217
Energy: 1.8311582948098086
Energy: 1.4283582294713217
Energy: 1.1531160268986251
Energy: 1.4283582294713217
Energy: 1.0912886487552405
Energy: 1.1444772701011428
Energy: 1.9424279661910047
Energy: 1.1444772701011428
Energy: 1.0912886487552405
Energy: 1.1444772701011428
Energy: 1.137576141879097
Energy: 1.4239930975549753
Energy: 1.5064904492812523
Energy: 1.4239930975604922
Energy: 1.137576141879097
Energy: 1.4239930975604922
Energy: 1.1821174397786116
Energy: 1.3448124381031408
Energy: 1.632188787912076
Energy: 1.3448124381031408
Energy: 1.1821174397786116
Energy: 1.3448124381031408
Energy: 1.4550760068653958
Energy: 1.4093925227372412
Energy: 1.4938084295406142
Energy: 1.4093925227372412
Energy: 1.4550760068653958
Energy: 1.4093925227427584

minimum gb energy = 1.0663384513796155 eV
minimum distance =  2.24480808602104 Angstroms
sigma value = 81


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

Energy: 1.8205427991848786
Energy: 1.640721354424513
Energy: 1.7163053745728898
Energy: 1.640721354421538
Energy: 1.8205427991878538
Energy: 1.6407213544253243
Energy: 2.1514443680134963
Energy: 1.2113063162393478
Energy: 1.1994623977452505
Energy: 1.2113063162378606
Energy: 2.1514443680120086
Energy: 1.2113063162371844
Energy: 1.7860537816894912
Energy: 1.6132906395042987
Energy: 1.597576594271404
Energy: 1.613290639505786
Energy: 1.7860537816894912
Energy: 1.6132906395064621
Energy: 1.7191006349804387
Energy: 1.297666510969448
Energy: 1.2031766645420081
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Energy: 1.719100634984901
Energy: 1.2976665109702594
Energy: 1.3488535257120884
Energy: 1.5655827650103722
Energy: 1.4020130297152456
Energy: 1.5655827650118597
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Energy: 1.5655827650096963
Energy: 1.4998069700159768
Energy: 1.5561478631800452
Energy: 1.3096239549157025
Energy: 1.5561478631770704
Energy: 1.4998069700174643
Energy: 1.5561478631770704
Energy: 1.3240380112988623
Energy: 1.5613168005484621
Energy: 1.5268435256496813
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Energy: 1.3240380112973749
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Energy: 1.4717608169084586
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Energy: 1.2106401986275617
Energy: 1.4717608169129208
Energy: 1.1818869415412043
Energy: 1.6237288132110215
Energy: 1.68346522590336
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Energy: 1.1818869415418802
Energy: 1.623728813212509
Energy: 1.2007895674905487
Energy: 1.5129971444355963
Energy: 2.050712615213192
Energy: 1.5129971444326213
Energy: 1.20078956749136
Energy: 1.5129971444341088
Energy: 1.300142847525235
Energy: 1.6035299194548447
Energy: 1.7681090773083188
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Energy: 1.300142847525235
Energy: 1.6035299194548447
Energy: 1.300899020898157
Energy: 1.5148152196098263
Energy: 1.70093723341752
Energy: 1.5148152196113136
Energy: 1.3008990208996445
Energy: 1.5148152196068514
Energy: 1.3117084256010458
Energy: 1.624240472518258
Energy: 1.335893824020367
Energy: 1.6242404725197457
Energy: 1.3117084256010458
Energy: 1.6242404725190693
Energy: 1.3115677122495888
Energy: 1.5645555188806222
Energy: 1.716549958009576
Energy: 1.5645555188806222
Energy: 1.3115677122502647
Energy: 1.5645555188821096
Energy: 1.6888077168434907
Energy: 1.593867247644349
Energy: 1.3095107839487627
Energy: 1.593867247644349
Energy: 1.6888077168434907
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Energy: 1.6867356799356064
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Energy: 1.280057387202703
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Energy: 1.686735679934795
Energy: 1.59652049866137
Energy: 1.7617546123509367
Energy: 1.6114281013165148
Energy: 1.2040542606419584
Energy: 1.6114281013186784
Energy: 1.7617546123509367
Energy: 1.6114281013186784
Energy: 1.7610747291865936
Energy: 1.6162877974080487
Energy: 1.5042450758358543
Energy: 1.61628779740886
Energy: 1.7610747291859177
Energy: 1.61628779740886
Energy: 2.1403847939937397
Energy: 1.520988733887214
Energy: 1.1945901136965575
Energy: 1.5209887338865378
Energy: 2.140384793994416
Energy: 1.520988733891
Energy: 2.1431630489482734
Energy: 1.588162940766288
Energy: 1.188723189251456
Energy: 1.5881629407796747
Energy: 2.1431630489467857
Energy: 1.58816294077075
Energy: 1.7613300689681468
Energy: 1.613717320950553
Energy: 1.5004334478210692
Energy: 1.613717320950553
Energy: 1.7613300689681468
Energy: 1.613717320950553
Energy: 1.7619229469553817
Energy: 1.6127524544967038
Energy: 1.2062978762678065
Energy: 1.6127524544975151
Energy: 1.7619229469553817
Energy: 1.6127524544960277
Energy: 1.6886459738720394
Energy: 1.6001196162208253
Energy: 1.2810364750660286
Energy: 1.6001196162215015
Energy: 1.6886459738720394
Energy: 1.6001196162238003
Energy: 1.6862394375165373
Energy: 1.5946004229071293
Energy: 1.309590639592482
Energy: 1.5946004229056419
Energy: 1.6862394375150498
Energy: 1.5946004229071293
Energy: 1.3114668432377357
Energy: 1.56655552478187
Energy: 1.7151125373932126
Energy: 1.566555524784845
Energy: 1.3114668432369243
Energy: 1.56655552478187
Energy: 1.311964458254378
Energy: 1.6115781551692367
Energy: 1.3354927548634823
Energy: 1.6115781551662618
Energy: 1.3119644582537018
Energy: 1.6115781551685606
Energy: 1.300237725386317
Energy: 1.5148152196098263
Energy: 1.7051199806235742
Energy: 1.5148152196090148
Energy: 1.300237725386317
Energy: 1.5148152196083389
Energy: 1.3001765329165982
Energy: 1.6062278734624156
Energy: 1.768719146550219
Energy: 1.6062278734616042
Energy: 1.3001765329172743
Energy: 1.6062278734616042
Energy: 1.2007160423328682
Energy: 1.5627082645819461
Energy: 2.054127921322938
Energy: 1.5627082645811348
Energy: 1.200716042332192
Energy: 1.5627082645834336
Energy: 1.2038319993284612
Energy: 1.6242535864899141
Energy: 1.6840159097461564
Energy: 1.6242535864899141
Energy: 1.2038319993284612
Energy: 1.6242535864899141
Energy: 1.2180642429625779
Energy: 1.2866014877065384
Energy: 1.8324728936682912
Energy: 1.2866014877415601
Energy: 1.2180642429625779
Energy: 1.2866014876017426
Energy: 1.307165134826897
Energy: 1.605685208581558
Energy: 1.7683301583478388
Energy: 1.605685208581558
Energy: 1.3071651348277082
Energy: 1.605685208580882
Energy: 1.2108522036450062
Energy: 1.3815490023175272
Energy: 1.9311077144273383
Energy: 1.3815490023152286
Energy: 1.21085220364433
Energy: 1.3815490023167158
Energy: 1.285191759132084
Energy: 1.5529830072299082
Energy: 1.3354928815439666
Energy: 1.5529830072307196
Energy: 1.285191759132084
Energy: 1.552983007229232
Energy: 1.3249308428380724
Energy: 1.5813382516222472
Energy: 1.499878357028249
Energy: 1.5813382516192727
Energy: 1.3249308428395599
Energy: 1.581338251621571

minimum gb energy = 1.1818869415412043 eV
minimum distance =  2.17726314513225 Angstroms
sigma value = 43


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

Energy: 1.8705630363880457
Energy: 1.7471910461816693
Energy: 1.6503517934588383
Energy: 1.7471910461825828
Energy: 1.8705630363880457
Energy: 1.7471910461816693
Energy: 2.0605230020816716
Energy: 1.3276563059252453
Energy: 1.2828578162196562
Energy: 1.3276563059252453
Energy: 2.0605230020798446
Energy: 1.3276563059270725
Energy: 1.338626883391742
Energy: 1.6921716820740844
Energy: 1.5432700500108456
Energy: 1.692171682073171
Energy: 1.338626883391742
Energy: 1.692171682074998
Energy: 1.7912459030016759
Energy: 1.2989563451710928
Energy: 1.2821541721539322
Energy: 1.2989563451720065
Energy: 1.791245903007157
Energy: 1.2989563451710928
Energy: 1.2940205510236549
Energy: 1.6974408156179808
Energy: 1.417960123500762
Energy: 1.6974408156188945
Energy: 1.2940205510227414
Energy: 1.6974408156170673
Energy: 1.2600990715582283
Energy: 1.6948093969115885
Energy: 1.2781866965120745
Energy: 1.694809396914329
Energy: 1.2600990715582283
Energy: 1.6948093969134155
Energy: 1.2789142769304214
Energy: 1.4821687784111623
Energy: 1.5304474871544305
Energy: 1.4821687784011137
Energy: 1.2789142769322484
Energy: 1.4821687784111623
Energy: 1.3020782305797751
Energy: 1.670120367355145
Energy: 1.3250041527467602
Energy: 1.6701203673569718
Energy: 1.3020782305788614
Energy: 1.6701203673569718
Energy: 1.2976027954083638
Energy: 1.50839860700731
Energy: 1.9573697426005225
Energy: 1.5083986070054831
Energy: 1.2976027954092773
Energy: 1.5083986070063968
Energy: 1.2747154598141206
Energy: 1.7393559588462786
Energy: 1.846804209911391
Energy: 1.7393559588444514
Energy: 1.2747154598159476
Energy: 1.7393559588462786
Energy: 1.2787898322938043
Energy: 1.7339198344467925
Energy: 1.7686844048137997
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Energy: 1.2787898322947178
Energy: 1.7339198344467925
Energy: 1.2982465177309441
Energy: 1.6704794484670493
Energy: 1.3256099163844839
Energy: 1.670479448467963
Energy: 1.2982465177318576
Energy: 1.67047944846979
Energy: 1.2955582699519383
Energy: 1.259416783528207
Energy: 1.6678078365422822
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Energy: 1.295558269952852
Energy: 1.259416783528207
Energy: 1.281893015031816
Energy: 1.7302023395834683
Energy: 1.2788313262917652
Energy: 1.7302023395843817
Energy: 1.2818930150309025
Energy: 1.7302023395852952
Energy: 1.2786939410580707
Energy: 1.7002736872993538
Energy: 1.2544718267417616
Energy: 1.7002736872993538
Energy: 1.2786939410598974
Energy: 1.7002736872984403
Energy: 1.7631190930767187
Energy: 1.4814189331924281
Energy: 1.2825990966083916
Energy: 1.4814189331887742
Energy: 1.763119093077632
Energy: 1.4814189331896874
Energy: 1.7688812188075673
Energy: 1.6853599678852387
Energy: 1.666691410376704
Energy: 1.6853599678852387
Energy: 1.7688812188084806
Energy: 1.6853599678852387
Energy: 1.8420899535655837
Energy: 1.7476868625712298
Energy: 1.2740257710272638
Energy: 1.7476868625694029
Energy: 1.8420899535664972
Energy: 1.7476868625703164
Energy: 1.8416541288481172
Energy: 1.734824218902668
Energy: 1.2779767561409299
Energy: 1.734824218902668
Energy: 1.8416541288472035
Energy: 1.7348242189017546
Energy: 1.7632778259748987
Energy: 1.7514706611875943
Energy: 1.2826912888202866
Energy: 1.7514706611875943
Energy: 1.7632778259748987
Energy: 1.7514706611866808
Energy: 1.7639456614867417
Energy: 1.7802674950173507
Energy: 1.2868006246539785
Energy: 1.7802674950173507
Energy: 1.7639456614840012
Energy: 1.7802674950155237
Energy: 1.2814892391928667
Energy: 1.6936544183581406
Energy: 1.2563396652593726
Energy: 1.6936544183572269
Energy: 1.2814892391928667
Energy: 1.6936544183572269
Energy: 1.2796712228559723
Energy: 1.7270328825108905
Energy: 1.2757258184934774
Energy: 1.727032882511804
Energy: 1.2796712228559723
Energy: 1.727032882511804
Energy: 1.2799100553088105
Energy: 1.7234353047633768
Energy: 1.292420037042121
Energy: 1.7234353047633768
Energy: 1.2799100553106375
Energy: 1.7234353047633768
Energy: 1.2935744599204266
Energy: 1.776552875375791
Energy: 1.3229820737780524
Energy: 1.7765528753767046
Energy: 1.293574459919513
Energy: 1.7765528753767046
Energy: 1.2801901718950255
Energy: 1.7328087456773678
Energy: 1.7666293010178908
Energy: 1.7328087456773678
Energy: 1.280190171895939
Energy: 1.7328087456782815
Energy: 1.2812408361461682
Energy: 1.735804796824292
Energy: 1.8451360947081474
Energy: 1.735804796824292
Energy: 1.2812408361470817
Energy: 1.735804796824292
Energy: 1.2766896050381447
Energy: 1.7317348844360951
Energy: 1.624035603182162
Energy: 1.7317348844388356
Energy: 1.2766896050381447
Energy: 1.7317348844379221
Energy: 1.2977018603308466
Energy: 1.6700736245191596
Energy: 1.3226873444379421
Energy: 1.6700736245191596
Energy: 1.2977018603299333
Energy: 1.6700736245191596
Energy: 1.2832945934371636
Energy: 1.482753746394847
Energy: 1.5363858708718117
Energy: 1.482753746394847
Energy: 1.2832945934353366
Energy: 1.4827537463939335
Energy: 1.5705900169146945
Energy: 1.6937845474078097
Energy: 1.275426273991004
Energy: 1.6937845474078097
Energy: 1.570590016913781
Energy: 1.6937845474087234

minimum gb energy = 1.2544718267417616 eV
minimum distance =  2.22013625239584 Angstroms
sigma value = 57


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

Energy: 1.510315318829098
Energy: 1.9089801251326826
Energy: 2.0084709971371804
Energy: 1.9089801251291343
Energy: 1.510315318829098
Energy: 1.9089801251326826
Energy: 1.7549834539374758
Energy: 1.498448402865777
Energy: 1.4041114532451184
Energy: 1.4984484028634113
Energy: 1.7549834539410243
Energy: 1.4984484028622285
Energy: 1.4137174574881215
Energy: 1.9016363866101087
Energy: 1.6518357782859479
Energy: 1.9016363866172052
Energy: 1.4137174574869387
Energy: 1.9016363866172052
Energy: 1.4089214861167656
Energy: 1.4194618902229852
Energy: 1.4029720258961598
Energy: 1.419461890226426
Energy: 1.4089214861144
Energy: 1.4194618902218021
Energy: 1.3971263380255166
Energy: 1.4407062581283572
Energy: 1.3818776758114084
Energy: 1.4407062581283572
Energy: 1.3971263380243335
Energy: 1.4407062581271741
Energy: 1.7462682908075606
Energy: 1.9109132394968005
Energy: 1.4013294767299003
Energy: 1.9109132394968005
Energy: 1.7462682908075606
Energy: 1.9109132394956174
Energy: 1.4173314735001272
Energy: 1.6741708010315681
Energy: 1.7437273520275276
Energy: 1.674170801030385
Energy: 1.4173314735013098
Energy: 1.674170801030385
Energy: 1.399408441000137
Energy: 1.9248082775828523
Energy: 1.4752616785883828
Energy: 1.9248082775804864
Energy: 1.3994084410025025
Energy: 1.9248082775804864
Energy: 1.3970185786557088
Energy: 1.442582874422887
Energy: 1.738525847879132
Energy: 1.4425828744181557
Energy: 1.3970185786568916
Energy: 1.4425828744217042
Energy: 1.4224101229563957
Energy: 1.9112270823232198
Energy: 1.4010579350661527
Energy: 1.9112270823232198
Energy: 1.4224101229587611
Energy: 1.9112270823232198
Energy: 1.4125101650494674
Energy: 1.389667966810604
Energy: 1.379222545789935
Energy: 1.389667966810604
Energy: 1.4125101650494674
Energy: 1.389667966810604
Energy: 1.4048069430296826
Energy: 1.6772622732552769
Energy: 1.403069703997491
Energy: 1.6772622732564597
Energy: 1.4048069430296826
Energy: 1.6772622732552769
Energy: 1.3977652386987567
Energy: 1.9082659860278353
Energy: 1.4366124862799636
Energy: 1.9082659860278353
Energy: 1.3977652386987567
Energy: 1.9082659860278353
Energy: 2.050884206702348
Energy: 1.678220912783469
Energy: 1.4008060835444702
Energy: 1.6782209127822862
Energy: 2.0508842067011646
Energy: 1.6782209127822862
Energy: 2.0599468150883515
Energy: 1.9131868476830935
Energy: 1.4084420385152132
Energy: 1.913186847681911
Energy: 2.059946815084803
Energy: 1.9131868476795453
Energy: 1.4051366656025948
Energy: 1.9534291176979635
Energy: 1.4026887804489891
Energy: 1.9534291176967808
Energy: 1.405136665601412
Energy: 1.953429117695598
Energy: 1.3977594832146456
Energy: 1.6726385640315102
Energy: 1.412380012846463
Energy: 1.6726385640303274
Energy: 1.3977594832134626
Energy: 1.6726385640291446
Energy: 1.384949722475911
Energy: 1.7271589571817036
Energy: 1.3848896386604903
Energy: 1.7271589571840693
Energy: 1.3849497224735454
Energy: 1.7271589571828863
Energy: 1.4124004329073803
Energy: 1.6725998601184513
Energy: 1.3977790542033797
Energy: 1.6725998601184513
Energy: 1.4124004329085633
Energy: 1.6725998601208167
Energy: 1.4025501519755998
Energy: 1.9538938258159866
Energy: 1.4050752136759428
Energy: 1.9538938258171692
Energy: 1.4025501519767825
Energy: 1.9538938258136207
Energy: 1.400527329455819
Energy: 1.9131058647644839
Energy: 2.0601843504797874
Energy: 1.913105864763301
Energy: 1.4005273294570015
Energy: 1.913105864763301
Energy: 1.401516346701747
Energy: 1.7065507825083885
Energy: 2.0512547554673746
Energy: 1.706550782510754
Energy: 1.40151634670293
Energy: 1.706550782507206
Energy: 1.4174529507902778
Energy: 1.9082749213244696
Energy: 1.3976763931490788
Energy: 1.9082749213232868
Energy: 1.4174529507902778
Energy: 1.9082749213244696
Energy: 1.402985233793359
Energy: 1.6776788244912402
Energy: 1.4047680993469418
Energy: 1.6776788244936054
Energy: 1.402985233793359
Energy: 1.6776788244924228

minimum gb energy = 1.379222545789935 eV
minimum distance =  2.23512183079564 Angstroms
sigma value = 17


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

Energy: 1.5515348411203993
Energy: 1.5501613740305091
Energy: 2.025581059958017
Energy: 1.5501613740305091
Energy: 1.5515348411203993
Energy: 1.5501613740305091
Energy: 1.5671311472465606
Energy: 1.5525189169622104
Energy: 1.5535214055770554
Energy: 1.552518916965556
Energy: 1.5671311472465606
Energy: 1.5525189169672287
Energy: 1.5765323021639195
Energy: 1.5718975922921927
Energy: 1.8037766285513652
Energy: 1.57189759229052
Energy: 1.5765323021689377
Energy: 1.5718975922955383
Energy: 1.5333476366310477
Energy: 1.5524377180697018
Energy: 1.5563832504190394
Energy: 1.5524377180713744
Energy: 1.533347636634393
Energy: 1.5524377180713744
Energy: 1.548954626319131
Energy: 1.552048774278534
Energy: 1.8593722036655638
Energy: 1.5520487742802067
Energy: 1.548954626319131
Energy: 1.552048774278534
Energy: 1.5409577129268366
Energy: 1.5506089334897912
Energy: 1.5401930274430002
Energy: 1.5506089334881188
Energy: 1.5409577129301821
Energy: 1.550608933486446
Energy: 1.5506150016457148
Energy: 1.64375836036446
Energy: 1.5660832357364016
Energy: 1.6437583603627872
Energy: 1.5506150016490603
Energy: 1.64375836036446
Energy: 1.5248829805103903
Energy: 1.6982524668443462
Energy: 1.5561525733110773
Energy: 1.6982524668443462
Energy: 1.5248829805087174
Energy: 1.6982524668426735
Energy: 1.5495603133092566
Energy: 1.550952611233356
Energy: 1.6227247748315456
Energy: 1.550952611233356
Energy: 1.5495603133075837
Energy: 1.550952611233356
Energy: 1.5346579116012253
Energy: 1.5318182358911205
Energy: 1.553113690183992
Energy: 1.531818235892793
Energy: 1.5346579115995527
Energy: 1.5318182358911205
Energy: 1.5350509142671052
Energy: 1.8613708292950242
Energy: 1.5377551065710284
Energy: 1.8613708292966966
Energy: 1.5350509142654323
Energy: 1.8613708292966966
Energy: 1.5226813965682091
Energy: 1.5294046793490434
Energy: 1.5375106961322373
Energy: 1.5294046793490434
Energy: 1.5226813965665364
Energy: 1.5294046793490434
Energy: 1.5497780600399809
Energy: 1.7133792034250424
Energy: 1.52592984981046
Energy: 1.7133792034250424
Energy: 1.5497780600399809
Energy: 1.7133792034250424
Energy: 1.572464440898026
Energy: 1.5465190748760393
Energy: 1.549864964164826
Energy: 1.5465190748793847
Energy: 1.572464440898026
Energy: 1.54651907488273
Energy: 1.552695030934942
Energy: 1.8800456948354742
Energy: 1.5347013519880484
Energy: 1.8800456948471835
Energy: 1.552695030934942
Energy: 1.880045694843838
Energy: 1.5536430116657403
Energy: 1.8966830967394515
Energy: 1.5365981677403506
Energy: 1.896683096879886
Energy: 1.5536430116640674
Energy: 1.8966830968497765
Energy: 1.5794668529168967
Energy: 1.5252842593143816
Energy: 1.5248702379523227
Energy: 1.525284259307691
Energy: 1.5794668529152238
Energy: 1.5252842593026723

minimum gb energy = 1.5226813965665364 eV
minimum distance =  2.23206482712947 Angstroms
sigma value = 17


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

Energy: 2.108620388559399
Energy: 2.183208415429344
Energy: 1.7878583927726988
Energy: 2.183208415429344
Energy: 2.108620388559399
Energy: 2.183208415429344
Energy: 1.882229307968312
Energy: 1.6082845547368128
Energy: 1.5997645200597737
Energy: 1.6082845547368128
Energy: 1.8822293079747714
Energy: 1.6082845547368128
Energy: 1.6075903932721314
Energy: 1.6700351430170697
Energy: 1.7781765068271098
Energy: 1.6700351430042681
Energy: 1.6075903932721314
Energy: 1.6700351430042681
Energy: 1.7324109474823801
Energy: 1.9927635858739159
Energy: 1.6656066974972905
Energy: 1.9927635858739159
Energy: 1.7324109474823801
Energy: 1.9927635858803754
Energy: 1.610492057918962
Energy: 1.6569600904700237
Energy: 1.8951541036476802
Energy: 1.6569600904700237
Energy: 1.610492057918962
Energy: 1.6569600904700237
Energy: 1.6637206865274587
Energy: 2.0067262118568943
Energy: 1.6911841704790438
Energy: 2.0067262118568943
Energy: 1.6637206865274587
Energy: 2.0067262118568943
Energy: 1.598473544555623
Energy: 1.6650551482346612
Energy: 1.8912032603495343
Energy: 1.6650551482346612
Energy: 1.598473544555623
Energy: 1.6650551482346612
Energy: 2.0896728360612005
Energy: 1.7990816120313056
Energy: 1.6005260109277364
Energy: 1.7990816120313056
Energy: 2.0896728360612005
Energy: 1.7990816120183863
Energy: 1.6856861092823854
Energy: 2.0863195224656677
Energy: 1.6151098348772874
Energy: 2.0863195224656677
Energy: 1.6856861092823854
Energy: 2.0863195224656677
Energy: 2.0787355781475596
Energy: 1.6584032764274281
Energy: 1.6001060612606377
Energy: 1.6553874218036626
Energy: 2.0787355781475596
Energy: 1.6584032764274281
Energy: 1.6529929409140238
Energy: 2.0686573745930037
Energy: 1.6571686441408406
Energy: 2.0686573745865444
Energy: 1.6529929409204833
Energy: 2.068657374612382
Energy: 1.6226750726454295
Energy: 1.9903877590756298
Energy: 1.607743154518098
Energy: 1.9903877590627106
Energy: 1.6226750726454295
Energy: 1.9903877590627106
Energy: 1.6029080855282887
Energy: 1.7965974719387456
Energy: 2.1089455782688478
Energy: 1.796597471945205
Energy: 1.6029080855282887
Energy: 1.7965974719387456
Energy: 1.6093840213937298
Energy: 1.9927418989657908
Energy: 2.0920071657303616
Energy: 1.9927418989593315
Energy: 1.6093840213937298
Energy: 1.9927418989657908
Energy: 1.604013230037883
Energy: 2.08840410587568
Energy: 1.6577365066304612
Energy: 2.08840410587568
Energy: 1.604013230037883
Energy: 2.08840410587568
Energy: 1.658628036347887
Energy: 2.1374652281855377
Energy: 1.6088999195192537
Energy: 2.2042401398352665
Energy: 1.658628036347887
Energy: 2.1374652281855377
Energy: 1.6530056858450974
Energy: 2.124229572061276
Energy: 1.636657555619987
Energy: 2.124229572061276
Energy: 1.6530056858450974
Energy: 2.1242295720677355
Energy: 2.0769540928650194
Energy: 1.9280113641931556
Energy: 1.6144774066349081
Energy: 1.928011364199615
Energy: 2.0769540928650194
Energy: 1.9280113641866958
Energy: 2.0736386769921498
Energy: 1.9719338446361097
Energy: 1.5938473107981463
Energy: 1.9719338446361097
Energy: 2.0736386769921498
Energy: 1.9719338446361097
Energy: 1.5994403064309197
Energy: 2.018366911763821
Energy: 1.599408327821861
Energy: 1.9002894959568202
Energy: 1.5994403064309197
Energy: 2.018366911763821
Energy: 1.5953200328837278
Energy: 1.9718007738904173
Energy: 1.871379800639209
Energy: 1.9718007738904173
Energy: 1.5953200328837278
Energy: 1.9718007738904173
Energy: 1.6144624758176493
Energy: 1.9299996992883217
Energy: 2.077441620650752
Energy: 1.9299996992947812
Energy: 1.6144624758176493
Energy: 1.9299996992947812
Energy: 1.6343128625306984
Energy: 2.124198036437942
Energy: 1.6531630609824235
Energy: 2.124198036437942
Energy: 1.6343128625306984
Energy: 2.124198036431482
Energy: 1.6089310694405177
Energy: 2.0999191883915773
Energy: 1.6579362131513025
Energy: 2.0999191883915773
Energy: 1.608931069446977
Energy: 2.0999191883915773
Energy: 1.6510391325646432
Energy: 2.087865580054742
Energy: 1.599229057650681
Energy: 2.087865580061201
Energy: 1.6510391325646432
Energy: 2.087865580054742
Energy: 2.091261758408417
Energy: 1.9926914834835543
Energy: 1.6092946679611464
Energy: 1.9926914834835543
Energy: 2.091261758408417
Energy: 1.9926914834835543
Energy: 2.1088348240931913
Energy: 1.7989669469221095
Energy: 1.6030171424067656
Energy: 1.7989669469478302
Energy: 2.1088348240931913
Energy: 1.7989669469221095
Energy: 1.608544061711122
Energy: 1.9883548150139798
Energy: 1.6225766650501787
Energy: 1.9883548150139798
Energy: 1.608544061711122
Energy: 1.9883548150139798
Energy: 1.6573878707177665
Energy: 2.0690278753414466
Energy: 1.652923021987755
Energy: 2.0690278753479063
Energy: 1.6573878707177665
Energy: 2.0690278753414466
Energy: 1.6000757953093048
Energy: 1.6584032764338876
Energy: 2.0790096394228725
Energy: 1.6584032764274281
Energy: 1.6000757953093048
Energy: 1.6584032764274281
Energy: 1.6150147439379576
Energy: 2.0857944328785014
Energy: 1.6855018194703055
Energy: 2.0857944328785014
Energy: 1.6150147439444174
Energy: 2.0857944328785014
Energy: 1.6004852636441032
Energy: 1.7999525772401903
Energy: 2.0897515377505314
Energy: 1.7999525772401903
Energy: 1.6004852636441032
Energy: 1.7999525772595688
Energy: 1.8909709686295493
Energy: 1.6644065831400412
Energy: 1.5985481406680329
Energy: 1.6644065831400412
Energy: 1.8909709686295493
Energy: 1.6644065831400412
Energy: 1.6911244064422197
Energy: 2.00681208216116
Energy: 1.6631366333045943
Energy: 2.0068120821676194
Energy: 1.6911244064485618
Energy: 2.0068120821676194
Energy: 1.8949947800100788
Energy: 1.6569600904700237
Energy: 1.6104898557811667
Energy: 1.6569600904764834
Energy: 1.8949947800165385
Energy: 1.6569600904764834
Energy: 1.6656978763918049
Energy: 1.9883834090181796
Energy: 1.7329765768421639
Energy: 1.9883834090246386
Energy: 1.6656978763918049
Energy: 1.9883834090181796
Energy: 1.728141995119974
Energy: 1.6831191335307334
Energy: 1.6076031777631776
Energy: 1.6831191335307334
Energy: 1.728141995119974
Energy: 1.6831191335307334
Energy: 1.5997879746760395
Energy: 1.6085288946485907
Energy: 1.8821540443654097
Energy: 1.6085288946485907
Energy: 1.5997879746760395
Energy: 1.6085288946485907
Energy: 1.9307941857539574
Energy: 2.183208415429344
Energy: 2.108620388559399
Energy: 2.183208415429344
Energy: 1.9307941857539574
Energy: 2.183208415422884
Energy: 1.5997645200597737
Energy: 1.6082845547368128
Energy: 1.8822293079812311
Energy: 1.6082845547368128
Energy: 1.5997645200597737
Energy: 1.6082845547368128
Energy: 1.7781765068271098
Energy: 1.6700351429978086
Energy: 1.6075903932721314
Energy: 1.6700351430042681
Energy: 1.7781765068271098
Energy: 1.6700351430042681
Energy: 1.6656066974972905
Energy: 1.9927635858739159
Energy: 1.7324109474759206
Energy: 1.9927635858739159
Energy: 1.6656066974972905
Energy: 1.9927635858739159
Energy: 1.8951541036412207
Energy: 1.6569600904764834
Energy: 1.610492057918962
Energy: 1.6569600904764834
Energy: 1.8951541036476802
Energy: 1.6569600904764834

minimum gb energy = 1.5938473107981463 eV
minimum distance =  2.22331093207771 Angstroms
sigma value = 57


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

Energy: 1.9415945316548475
Energy: 2.2121571290091357
Energy: 1.9539783060309617
Energy: 2.212157129012195
Energy: 1.9415945316537
Energy: 2.212157129007988
Energy: 1.7529767045117366
Energy: 1.6511078074190797
Energy: 1.6494295451110432
Energy: 1.6511078074179322
Energy: 1.7529767044960556
Energy: 1.6511078074148726
Energy: 1.6619454233334512
Energy: 1.8697882021270444
Energy: 1.8780096393847923
Energy: 1.8697882021270444
Energy: 1.6619454233345985
Energy: 1.8697882021228374
Energy: 1.8411851637672818
Energy: 1.8705032026630413
Energy: 1.8902442822755277
Energy: 1.870503202669352
Energy: 1.8411851637661345
Energy: 1.8705032026683959
Energy: 1.6217876225201036
Energy: 1.695458995192659
Energy: 1.7238505942129423
Energy: 1.6954589951905554
Energy: 1.6217876225201036
Energy: 1.6954589951968662
Energy: 1.888277603907122
Energy: 1.8679858619119296
Energy: 1.8910913702049268
Energy: 1.8679858619023681
Energy: 1.8882776039040625
Energy: 1.8679858619023681
Energy: 1.6615037911304975
Energy: 1.8574454046581772
Energy: 2.021462604924339
Energy: 1.8574454046593247
Energy: 1.6615037911295416
Energy: 1.8574454046602809
Energy: 2.0421997127932814
Energy: 1.6978851609796917
Energy: 1.648437042358837
Energy: 1.69788516098715
Energy: 2.0421997128016955
Energy: 1.6978851609754846
Energy: 1.7353437832571248
Energy: 2.2115582408726815
Energy: 1.665113081256912
Energy: 2.2115582408705783
Energy: 1.7353437832550214
Energy: 2.2115582408747856
Energy: 1.8632066759405708
Energy: 1.6548057716073732
Energy: 1.6504812158070503
Energy: 1.6548057716052698
Energy: 1.8632066759384671
Energy: 1.6548057716085207
Energy: 1.6613631649638003
Energy: 2.049697499091667
Energy: 1.8850633296325516
Energy: 2.0496974990926233
Energy: 1.6613631649616967
Energy: 2.04969749908746
Energy: 1.6961244286754011
Energy: 1.8679975238582733
Energy: 1.8742506460586916
Energy: 1.8679975238697473
Energy: 1.6961244286732975
Energy: 1.867997523897093
Energy: 1.626283984088961
Energy: 1.9219431740239719
Energy: 1.8838047620845542
Energy: 1.9219431740209123
Energy: 1.626283984088005
Energy: 1.9219431740239719
Energy: 1.8815119743216375
Energy: 1.9307601421496468
Energy: 1.8732646273420455
Energy: 1.9307601421412326
Energy: 1.8815119743216375
Energy: 1.9307601421569136
Energy: 1.6658965929255305
Energy: 1.8939076883565549
Energy: 1.6646443263495543
Energy: 1.8939076883250017
Energy: 1.665896592924383
Energy: 1.8939076883448898
Energy: 1.897009910409191
Energy: 2.0240467947256624
Energy: 1.6474014837025401
Energy: 2.0240467947256624
Energy: 1.897009910404984
Energy: 2.0240467947214555
Energy: 1.9356375018788852
Energy: 2.0287091267063078
Energy: 1.6492020361484803
Energy: 2.0287091267021005
Energy: 1.9356375018830918
Energy: 2.0287091267053516
Energy: 1.8767188924936262
Energy: 1.9701355429942313
Energy: 1.6438320156840065
Energy: 1.9701355429858172
Energy: 1.8767188924936262
Energy: 1.9701355430416565
Energy: 1.6662182427334231
Energy: 2.125113916511754
Energy: 1.872452691142533
Energy: 2.1251139165106068
Energy: 1.6662182427322756
Energy: 2.125113916511754
Energy: 1.692291523615016
Energy: 1.903853976326845
Energy: 1.868300894553854
Energy: 1.9038539763226376
Energy: 1.6922915236180756
Energy: 1.903853976331052
Energy: 1.6383255771211636
Energy: 1.9076551265423103
Energy: 1.874123181158613
Energy: 1.9076551265392507
Energy: 1.6383255771211636
Energy: 1.9076551265392507
Energy: 1.6654682537917005
Energy: 1.9527167523808187
Energy: 1.8683603169499943
Energy: 1.952716752378715
Energy: 1.6654682537917005
Energy: 1.9527167523766118
Energy: 1.6619307881836443
Energy: 1.9126865989401862
Energy: 1.6506833613513787
Energy: 1.9126865989411421
Energy: 1.6619307881847916
Energy: 1.9126865989359791
Energy: 1.7407864862361402
Energy: 2.1772131068474723
Energy: 1.647580408862042
Energy: 2.1772131068505325
Energy: 1.7407864862340368
Energy: 2.1772131068495764
Energy: 1.7327239698281474
Energy: 1.996492393453536
Energy: 1.6461448850992386
Energy: 1.9964923934504766
Energy: 1.7327239698281474
Energy: 1.9964923934504766
Energy: 1.6652668875174363
Energy: 1.940764681096492
Energy: 1.6524823747598245
Energy: 1.940764681092285
Energy: 1.6652668875185836
Energy: 1.940764681092285
Energy: 1.6658352513625458
Energy: 2.1351771468214005
Energy: 1.8714423418417896
Energy: 2.1351771468214005
Energy: 1.6658352513615895
Energy: 2.135177146820253

minimum gb energy = 1.6217876225201036 eV
minimum distance =  2.22015811372927 Angstroms
sigma value = 43


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

Energy: 1.7962813884872395
Energy: 2.080946199376456
Energy: 1.9218009289170244
Energy: 2.080946199369629
Energy: 1.7962813884872395
Energy: 2.0809461993795217
Energy: 1.7246199104481175
Energy: 1.6761997514215554
Energy: 1.6475735607252855
Energy: 1.6761997514230882
Energy: 1.7246199104488138
Energy: 1.676199751424621
Energy: 1.6519979443496573
Energy: 1.757197563269414
Energy: 1.975499150224454
Energy: 1.7571975632687171
Energy: 1.65199794435119
Energy: 1.7571975632709462
Energy: 1.7637455723440705
Energy: 2.05010122412458
Energy: 1.7474333326252822
Energy: 2.050101224119982
Energy: 1.7637455723449065
Energy: 2.050101224120818
Energy: 1.648050028260544
Energy: 1.7402617581673578
Energy: 1.7402239028507414
Energy: 1.7402617581649895
Energy: 1.6480500282620765
Energy: 1.7402617581627602
Energy: 1.7272303751919253
Energy: 1.742398667085458
Energy: 1.6599321713547992
Energy: 1.7423986670847615
Energy: 1.7272303751919253
Energy: 1.7423986670847615
Energy: 1.6594362646393181
Energy: 1.7342056945236155
Energy: 1.948610317973576
Energy: 1.7342056945167883
Energy: 1.6594362646408507
Energy: 1.7342056945236155
Energy: 1.7717805240625222
Energy: 1.7419854139905457
Energy: 1.6513567176124468
Energy: 1.7419854139890132
Energy: 1.7717805240754798
Energy: 1.741985413993611
Energy: 1.7440840678197387
Energy: 2.0525937879699967
Energy: 1.7320870603167389
Energy: 2.052593787973062
Energy: 1.744084067819042
Energy: 2.052593787956203
Energy: 1.9077311992271409
Energy: 1.7459337477034937
Energy: 1.6488250308354282
Energy: 1.7459337477050267
Energy: 1.9077311992263046
Energy: 1.7459337477050267
Energy: 1.6508197233426267
Energy: 1.7012262571751127
Energy: 2.000890901394262
Energy: 1.7012262571735803
Energy: 1.6508197233419302
Energy: 1.7012262571758097
Energy: 1.6810295477940316
Energy: 2.160703413590393
Energy: 1.7890985796307082
Energy: 2.1607034135888608
Energy: 1.6810295477940316
Energy: 2.160703413588024
Energy: 1.6546177352565727
Energy: 1.6868499134645463
Energy: 1.7312735678459894
Energy: 1.6868499134630133
Energy: 1.6546177352550402
Energy: 1.6868499134684474
Energy: 1.7405670204700365
Energy: 1.8658177353519818
Energy: 1.649219011999787
Energy: 1.8658177353397205
Energy: 1.7405670204669712
Energy: 1.8658177353373522
Energy: 1.7392426423425904
Energy: 2.124168525339093
Energy: 1.665861926145355
Energy: 2.124168525337561
Energy: 1.7392426423425904
Energy: 2.1241685253399294
Energy: 1.7360918341031084
Energy: 1.9078533217614997
Energy: 1.646852995808307
Energy: 1.907853321759967
Energy: 1.7360918341084028
Energy: 1.907853321759967
Energy: 1.6603772401703967
Energy: 2.017503243808558
Energy: 1.732680136831984
Energy: 2.017503243809394
Energy: 1.660377240168864
Energy: 2.017503243810926
Energy: 1.6861472494178666
Energy: 1.7293021107664923
Energy: 1.663710598215479
Energy: 1.7293021107588291
Energy: 1.6861472494209317
Energy: 1.7293021107688606
Energy: 1.6587765995947599
Energy: 1.828157571780576
Energy: 1.7386950260367577
Energy: 1.8281575717744454
Energy: 1.6587765995947599
Energy: 1.8281575718088605
Energy: 1.6648006494430487
Energy: 1.991762810682307
Energy: 1.7378308273988523
Energy: 1.9917628106915028
Energy: 1.6648006494430487
Energy: 1.9917628106860688
Energy: 1.6562671289786066
Energy: 1.7455330329337213
Energy: 1.6773605676939158
Energy: 1.7455330329345573
Energy: 1.6562671289779098
Energy: 1.745533032928427
Energy: 2.239329455263423
Energy: 1.874670782513124
Energy: 1.6553150151557503
Energy: 1.8746707825199513
Energy: 2.239329455264259
Energy: 1.8746707824632434
Energy: 2.2511600381676815
Energy: 1.9328708899589262
Energy: 1.667801132631954
Energy: 1.9328708899534923
Energy: 2.251160038166149
Energy: 1.9328708899565579
Energy: 1.6657201894059994
Energy: 1.7411593219585502
Energy: 1.664558738451982
Energy: 1.7411593219570176
Energy: 1.6657201894051636
Energy: 1.74115932195242
Energy: 1.6513385889315715
Energy: 2.001813115271428
Energy: 1.7499905915410154
Energy: 2.001813115271428
Energy: 1.6513385889322683
Energy: 2.001813115270592
Energy: 1.6716209284128773
Energy: 1.9526621978279972
Energy: 1.7441641050101457
Energy: 1.952662197821031
Energy: 1.671620928412181
Energy: 1.9526621978286942
Energy: 1.6771842922900906
Energy: 1.9040583515480516
Energy: 1.7356660093682459
Energy: 1.9040583515434537
Energy: 1.6771842922900906
Energy: 1.9040583515441503
Energy: 1.7302828985441645
Energy: 2.1787813747174702
Energy: 1.7301832654613518
Energy: 2.178781374722765
Energy: 1.7302828985441645
Energy: 2.1787813747196996
Energy: 1.7362469110660483
Energy: 1.904036040551337
Energy: 1.6603935336411177
Energy: 1.9040360405489687
Energy: 1.7362469110668841
Energy: 1.9040360405498045
Energy: 1.7442515679141337
Energy: 1.9524553521844414
Energy: 1.671347443849032
Energy: 1.9524553521836052
Energy: 1.7442515679141337
Energy: 1.9524553521813761
Energy: 1.7496217589234195
Energy: 2.002301012289455
Energy: 1.6515632253859611
Energy: 2.002301012289455
Energy: 1.7496217589218868
Energy: 2.0023010122916842
Energy: 1.664044368679874
Energy: 1.7419202476241669
Energy: 1.66449037865332
Energy: 1.7419202476386575
Energy: 1.664044368679874
Energy: 1.7419202476195688
Energy: 1.667215628603831
Energy: 1.9328179858526418
Energy: 2.0094956708715994
Energy: 1.9328179858511088
Energy: 1.6672156286053637
Energy: 1.93281798585501
Energy: 1.6549699434973237
Energy: 1.8751339302194172
Energy: 2.239677695753102
Energy: 1.8751339302247119
Energy: 1.6549699434964877
Energy: 1.8751339302170484
Energy: 1.677983279623929
Energy: 1.745178741002303
Energy: 1.6556945542626578
Energy: 1.7451787410130315
Energy: 1.6779832796247651
Energy: 1.7451787410046713
Energy: 1.7380175267749287
Energy: 1.9911958419404354
Energy: 1.664737850512603
Energy: 1.991195841938206
Energy: 1.7380175267718634
Energy: 1.9911958419336084

minimum gb energy = 1.646852995808307 eV
minimum distance =  2.17605681837268 Angstroms
sigma value = 81


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

Energy: 1.6691018607619577
Energy: 1.6795239582690766
Energy: 2.414081878617253
Energy: 1.6795239582690766
Energy: 1.6691018607619577
Energy: 1.6795239582690766
Energy: 1.9858947809985752
Energy: 1.6794627709587204
Energy: 1.669272909970044
Energy: 1.6794627709615357
Energy: 1.9858947810013905
Energy: 1.6794627709615357
Energy: 1.6692202773579368
Energy: 1.6794626324453161
Energy: 1.9859380701325666
Energy: 1.6794626324453161
Energy: 1.6692202773579368
Energy: 1.6794626324453161
Energy: 2.146106701525961
Energy: 1.6795239582690766
Energy: 1.6691018607619577
Energy: 1.6795239582662609
Energy: 2.146106701525961
Energy: 1.6795239582690766
Energy: 1.669272909970044
Energy: 1.6794627709587204
Energy: 1.9858947810013905
Energy: 1.6794627709615357
Energy: 1.669272909970044
Energy: 1.6794627709615357
Energy: 1.9859380701325666
Energy: 1.6794626324425004
Energy: 1.6692202773579368
Energy: 1.6794626324453161
Energy: 1.9859380701353821
Energy: 1.6794626324453161
Energy: 1.6691018607619577
Energy: 1.6795239582690766
Energy: 2.146106701525961
Energy: 1.679523958271892
Energy: 1.6691018607619577
Energy: 1.6795239582690766
Energy: 1.9858947809985752
Energy: 1.6794627709587204
Energy: 1.669272909970044
Energy: 1.6794627709615357
Energy: 1.9858947809985752
Energy: 1.6794627709587204
Energy: 1.6692202773607523
Energy: 1.6794626324453161
Energy: 1.9859380701353821
Energy: 1.6794626324453161
Energy: 1.6692202773607523
Energy: 1.6794626324453161
Energy: 2.1461067015203295
Energy: 1.6795239582662609
Energy: 1.6691018607591421
Energy: 1.6795239582690766
Energy: 2.1461067015203295
Energy: 1.6795239582690766

minimum gb energy = 1.6691018607591421 eV
minimum distance =  2.25336265020261 Angstroms
sigma value = 3


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

Energy: 2.2325053816305234
Energy: 2.186618128150121
Energy: 2.302207892715675
Energy: 2.186618128150964
Energy: 2.2325053816237825
Energy: 2.186618128150964
Energy: 2.0069975133270583
Energy: 1.7733820823840742
Energy: 1.6413539456664565
Energy: 1.7733820823832318
Energy: 2.0069975133304285
Energy: 1.7733820823823891
Energy: 1.6572333903686647
Energy: 1.66041150008859
Energy: 1.849600717082143
Energy: 1.66041150008859
Energy: 1.6572333903695073
Energy: 1.660411500090275
Energy: 1.9902180091679964
Energy: 2.146932459732148
Energy: 1.8115610109236817
Energy: 2.1469324597313055
Energy: 1.9902180091696813
Energy: 2.146932459732148
Energy: 1.7606261349692016
Energy: 1.7659702614745256
Energy: 2.1489707992050144
Energy: 1.7659702614745256
Energy: 1.7606261349700445
Energy: 1.7659702614745256
Energy: 1.8545865351154935
Energy: 1.6862132882269143
Energy: 1.6277829573227816
Energy: 1.6862132882269143
Energy: 1.8545865351146509
Energy: 1.686213288227757
Energy: 1.7609069178711747
Energy: 1.7676295328402511
Energy: 1.7798845668015622
Energy: 1.7676295328402511
Energy: 1.760906917870332
Energy: 1.767629532838566
Energy: 1.7524995897317523
Energy: 2.1280988677446304
Energy: 1.7948499033649055
Energy: 2.128098867743787
Energy: 1.752499589736808
Energy: 2.1280988677446304
Energy: 1.6556594321758769
Energy: 1.8220779653387662
Energy: 2.1450353248696343
Energy: 1.8220779653379238
Energy: 1.6556594321775622
Energy: 1.8220779653404513
Energy: 1.6639677458022162
Energy: 1.6743224890084691
Energy: 1.6472528673350777
Energy: 1.67432248901521
Energy: 1.663967745800531
Energy: 1.6743224890109971
Energy: 2.057850395922656
Energy: 1.9875975248826476
Energy: 1.7570681464940714
Energy: 1.9875975248860178
Energy: 2.057850395922656
Energy: 1.9875975248868603
Energy: 2.066977496493284
Energy: 1.80919182338967
Energy: 1.636777381983892
Energy: 1.809191823391355
Energy: 2.066977496495735
Energy: 1.809191823391355
Energy: 1.6576375943555528
Energy: 1.6904943511763098
Energy: 1.6485647077849521
Energy: 1.6904943511805228
Energy: 1.6576375943547101
Energy: 1.690494351175467
Energy: 1.6633204166102307
Energy: 1.8765397492924691
Energy: 1.8091541551739732
Energy: 1.8765397492899414
Energy: 1.6633204166085453
Energy: 1.876539749294997
Energy: 1.7550036084486496
Energy: 1.8402850341972672
Energy: 1.7848010999527375
Energy: 1.8402850341964245
Energy: 1.7550036084494922
Energy: 1.8402850341964245
Energy: 1.769593840038409
Energy: 1.8026955716701318
Energy: 1.637580531970007
Energy: 1.8026955716701318
Energy: 1.7695938400392515
Energy: 1.8026955716709743
Energy: 1.756101263215559
Energy: 1.8650345880789505
Energy: 1.6288211586164707
Energy: 1.8650345880806356
Energy: 1.756101263215559
Energy: 1.8650345880747377
Energy: 1.7696807512914305
Energy: 1.8517090272397847
Energy: 1.790583898731112
Energy: 1.8517090272406271
Energy: 1.7696807512914305
Energy: 1.8517090272406271
Energy: 1.6646917593371549
Energy: 1.9437149466152492
Energy: 1.7879188915188158
Energy: 1.9437149466152492
Energy: 1.6646917593379975
Energy: 1.9437149466152492
Energy: 1.6650049177130688
Energy: 2.001207428264796
Energy: 1.645488938993785
Energy: 2.0012074282656385
Energy: 1.6650049177113837
Energy: 2.001207428264796
Energy: 2.213521653194306
Energy: 1.7565037380270228
Energy: 1.6396512615489327
Energy: 1.7565037380312358
Energy: 2.213521653190935
Energy: 1.7565037380295507
Energy: 2.2140101290413643
Energy: 1.9727057045821026
Energy: 1.7574626194215286
Energy: 1.9727057045837877
Energy: 2.2140101290396794
Energy: 1.9727057045770469
Energy: 1.666073497958172
Energy: 1.8216597876077854
Energy: 1.6367162729391926
Energy: 1.8216597876069427
Energy: 1.6660734979598573
Energy: 1.8216597876077854
Energy: 1.6637562276935323
Energy: 1.9179616149842615
Energy: 2.126235096148558
Energy: 1.9179616149842615
Energy: 1.6637562276952174
Energy: 1.9179616149842615
Energy: 1.7485631862372848
Energy: 1.9072420359238276
Energy: 1.7979680608335067
Energy: 1.9072420359238276
Energy: 1.748563186222961
Energy: 1.9072420359246702
Energy: 1.7705111741601613
Energy: 2.0892460435427047
Energy: 1.7108140626322141
Energy: 2.0892460435418627
Energy: 1.7705111741610038
Energy: 2.0892460435427047
Energy: 1.7498535649944449
Energy: 1.949030498565612
Energy: 1.6279672091412003
Energy: 1.9490304985664546
Energy: 1.7498535649952873
Energy: 1.949030498565612
Energy: 1.770756452516372
Energy: 2.010065350453478
Energy: 2.124649401809417
Energy: 2.010065350453478
Energy: 1.7707564525155295
Energy: 2.010065350453478
Energy: 1.796124572010657
Energy: 2.1504956731666223
Energy: 1.7947565349483223
Energy: 2.1504956731657803
Energy: 1.7961245720131847
Energy: 2.1504956731657803
Energy: 1.6560033748829248
Energy: 1.6539471040091691
Energy: 1.9427924262534007
Energy: 1.6539471040091691
Energy: 1.6560033748837673
Energy: 1.6539471040066414
Energy: 1.9131464330572001
Energy: 1.7730618877325517
Energy: 1.638992084701114
Energy: 1.7730618877325517
Energy: 1.9131464330572001
Energy: 1.7730618877325517
Energy: 2.063083361896286
Energy: 2.087522381780176
Energy: 1.7746968163647674
Energy: 2.087522381778491
Energy: 2.063083361896286
Energy: 2.0875223817768056
Energy: 2.127915439531707
Energy: 1.7730316041149516
Energy: 1.6421196578082027
Energy: 1.773031604115794
Energy: 2.127915439531707
Energy: 1.7730316041166367

minimum gb energy = 1.6277829573227816 eV
minimum distance =  2.19929048144522 Angstroms
sigma value = 67


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

Energy: 1.8205159582740598
Energy: 2.285869212703615
Energy: 2.229355145725837
Energy: 2.2858692127012143
Energy: 1.8205159582728594
Energy: 2.285869212703615
Energy: 2.0373632639978134
Energy: 1.752484241781568
Energy: 1.6191081300485912
Energy: 1.7524842417803674
Energy: 2.037363263999014
Energy: 1.7524842417803674
Energy: 1.610772667349314
Energy: 1.6825646350373014
Energy: 1.8438499865784062
Energy: 1.6825646350373014
Energy: 1.6107726673445115
Energy: 1.6825646350373014
Energy: 2.0567817475557075
Energy: 2.0995819218948015
Energy: 1.762251103895107
Energy: 2.0995819218960023
Energy: 2.056781747562911
Energy: 2.0995819218960023
Energy: 1.7597891134100354
Energy: 2.095332754767951
Energy: 2.1135270794020213
Energy: 2.095332754769151
Energy: 1.7597891134112358
Energy: 2.095332754767951
Energy: 1.7828088257358223
Energy: 1.8876597465839
Energy: 1.5891997235482354
Energy: 1.8876597465839
Energy: 1.782808825741716
Energy: 1.8876597465826994
Energy: 1.7351719685729472
Energy: 1.796732704115716
Energy: 1.6286964094185155
Energy: 1.796732704115716
Energy: 1.7351719685717468
Energy: 1.7967327041169165
Energy: 1.7556659138688353
Energy: 2.03533925286973
Energy: 2.116524319486596
Energy: 2.03533925286973
Energy: 1.7556659138700361
Energy: 2.0353392528685292
Energy: 1.7365555122564098
Energy: 1.7523152135020708
Energy: 2.107626402691262
Energy: 1.7523152134972684
Energy: 1.7365555122576102
Energy: 1.7523152134960678
Energy: 1.741892298684369
Energy: 1.950278501767389
Energy: 1.6251782166884736
Energy: 1.9502785017721913
Energy: 1.7418922986867702
Energy: 1.950278501770991
Energy: 1.7473226468767602
Energy: 1.8638412338286174
Energy: 1.628970144040199
Energy: 1.863841233827417
Energy: 1.7473226468791616
Energy: 1.8638412338322192
Energy: 1.752769424374143
Energy: 1.671239206330279
Energy: 1.7549050498291594
Energy: 1.671239206333881
Energy: 1.752769424374143
Energy: 1.6712392063314796
Energy: 1.630974414504187
Energy: 1.809849901626166
Energy: 1.7479392660430042
Energy: 1.8098499016249654
Energy: 1.6309744145017857
Energy: 1.8098499016285672
Energy: 1.6321422979967695
Energy: 2.0031802356880317
Energy: 1.7422473897373987
Energy: 2.0031802356868313
Energy: 1.63214229799797
Energy: 2.0031802356868313
Energy: 2.260701111658435
Energy: 2.1281203650131304
Energy: 1.7378660095467415
Energy: 2.128120365010729
Energy: 2.260701111656033
Energy: 2.128120365010729
Energy: 2.313245007579379
Energy: 2.025015456675604
Energy: 1.7543805357003706
Energy: 2.025015456673203
Energy: 2.3132450075781783
Energy: 2.0250154566792054
Energy: 1.6227100694430754
Energy: 1.759233715728635
Energy: 1.7398246925777612
Energy: 1.759233715723833
Energy: 1.6227100694430754
Energy: 1.7592337157310365
Energy: 1.6138723779686666
Energy: 1.9919320465631984
Energy: 1.7468894867167566
Energy: 1.9919320465643988
Energy: 1.6138723779698672
Energy: 1.9919320465631984
Energy: 2.1586671653984872
Energy: 2.285304178120042
Energy: 1.7589568030839728
Energy: 2.2853041781224426
Energy: 2.158667165396086
Energy: 2.285304178120042
Energy: 1.7586846172132085
Energy: 2.19352279108259
Energy: 2.00611484845962
Energy: 2.1935227910837902
Energy: 1.7586846172144088
Energy: 2.1935227910837902
Energy: 2.029311508630423
Energy: 1.8133178998463675
Energy: 1.6140711198073545
Energy: 1.813317899848769
Energy: 2.029311508620818
Energy: 1.8133178998463675
Energy: 1.6117681598461606
Energy: 1.7516870166087695
Energy: 2.3028060139363276
Energy: 1.7516870166087695
Energy: 1.611768159847361
Energy: 1.7516870166087695
Energy: 2.0604925459351247
Energy: 2.1633206664971834
Energy: 1.6547305359941473
Energy: 2.163320666492381
Energy: 2.0604925459339243
Energy: 2.1633206664935813

minimum gb energy = 1.5891997235482354 eV
minimum distance =  2.21749198831816 Angstroms
sigma value = 33


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

Energy: 1.8973502445997423
Energy: 2.2176347592914922
Energy: 2.168416406539212
Energy: 2.2176347592908
Energy: 1.8973502445960033
Energy: 2.2176347592892767
Energy: 2.244944056515395
Energy: 1.8583307793526254
Energy: 1.531736291491657
Energy: 1.8583307793571953
Energy: 2.2449440565145644
Energy: 1.858330779356503
Energy: 1.5296562081316165
Energy: 1.5852705972085812
Energy: 2.039938623359268
Energy: 1.5852705972124588
Energy: 1.5296562081309242
Energy: 1.5852705972101044
Energy: 1.5821053777688177
Energy: 1.8383440704725056
Energy: 1.547018231824295
Energy: 1.8383440704702898
Energy: 1.5821053777710334
Energy: 1.8383440704702898
Energy: 1.8688119012690763
Energy: 2.026096019775595
Energy: 1.8072936364955459
Energy: 2.0260960197764257
Energy: 1.8688119012668607
Energy: 2.026096019777118
Energy: 1.8312733581608112
Energy: 1.8182656371709611
Energy: 1.5348041945870365
Energy: 1.8588101644423372
Energy: 1.831273358163027
Energy: 1.7476452813671854
Energy: 1.522596345485
Energy: 1.5407081170491064
Energy: 1.5330636052182807
Energy: 1.54070811704149
Energy: 1.522596345485
Energy: 1.540708117043013
Energy: 1.538973346425033
Energy: 1.7907312484014175
Energy: 1.8244837049077214
Energy: 1.790731248409865
Energy: 1.538973346425033
Energy: 1.7907312484052953
Energy: 1.8022549213786456
Energy: 1.7702957813845146
Energy: 1.823841372605981
Energy: 1.7702957813814681
Energy: 1.8022549213801689
Energy: 1.770295781387561
Energy: 1.5467225809830218
Energy: 1.6839104575070205
Energy: 1.5297019857003642
Energy: 1.7991114846694676
Energy: 1.5467225809837146
Energy: 1.6839104575078514
Energy: 1.5231526060771432
Energy: 1.87616432926052
Energy: 1.5411388701128674
Energy: 1.8761643292598273
Energy: 1.523152606079497
Energy: 1.8761643292598273
Energy: 1.5153568724619064
Energy: 1.6043724941071453
Energy: 2.1483856893852025
Energy: 1.6043724941071453
Energy: 1.5153568724595523
Energy: 1.6043724941040989
Energy: 1.8181423328287778
Energy: 1.9296498650103724
Energy: 1.9054787159092454
Energy: 1.9296498650064948
Energy: 1.8181423328280855
Energy: 1.9296498650058025
Energy: 1.5314831247449219
Energy: 1.8114362317598949
Energy: 1.5220770339909835
Energy: 1.811436231762249
Energy: 1.5314831247449219
Energy: 1.811436231761418
Energy: 1.806549492354222
Energy: 1.5857363684767183
Energy: 1.5339099830175045
Energy: 1.5857363684775492
Energy: 1.8065494923565761
Energy: 1.5857363684745027
Energy: 1.5459807587000647
Energy: 1.83945385063143
Energy: 2.1102341230866672
Energy: 1.8394538506329534
Energy: 1.5459807587031111
Energy: 1.83945385063143
Energy: 2.1142582184967686
Energy: 2.218504847294064
Energy: 1.8614385443832202
Energy: 2.218504847294064
Energy: 2.1142582184976
Energy: 2.218504847294064
Energy: 1.520320256617557
Energy: 1.5417731939731154
Energy: 2.036171964656818
Energy: 1.5417731939731154
Energy: 1.5203202566190805
Energy: 1.5417731939722845
Energy: 1.8426279524442548
Energy: 1.5396732288683523
Energy: 1.5175778436920555
Energy: 1.5396732288668293
Energy: 1.8426279524449474
Energy: 1.5396732288698756
Energy: 1.8648937344610024
Energy: 1.860526720026511
Energy: 1.5324157390314235
Energy: 1.8605267200280347
Energy: 1.8648937344594791
Energy: 1.8605267200295579
Energy: 2.138184491755146
Energy: 1.8579548894850524
Energy: 1.5500344955188843
Energy: 1.8579548894880988
Energy: 2.138184491755838
Energy: 1.8579548894926687
Energy: 1.5201883839560448
Energy: 1.801075899565998
Energy: 1.811017337455318
Energy: 1.8010758995690446
Energy: 1.5201883839590913
Energy: 1.8010758995682137
Energy: 1.5326447402863699
Energy: 1.8739559151070377
Energy: 1.5363718694513882
Energy: 1.8739559151070377
Energy: 1.5326447402870624
Energy: 1.8739559151092533
Energy: 1.900596845450212
Energy: 1.9985467872406972
Energy: 1.5260558039561152
Energy: 1.9985467872376501
Energy: 1.9005968454517352
Energy: 1.9985467872384812
Energy: 2.155116138750073
Energy: 1.6069088330698613
Energy: 1.5237811445866694
Energy: 1.6069088330790011
Energy: 2.1551161387463336
Energy: 1.6069088330751238
Energy: 1.5535839592271714
Energy: 1.8733345339834917
Energy: 1.520659474624679
Energy: 1.8733345339834917
Energy: 1.5535839592271714
Energy: 1.873334533982661
Energy: 1.5298660531250474
Energy: 1.800205087968382
Energy: 1.8024628858977396
Energy: 1.800205087970736
Energy: 1.5298660531265709
Energy: 1.8002050879714284
Energy: 1.8314933966228903
Energy: 1.7490871492415205
Energy: 1.5465014637927532
Energy: 1.7490871492330735
Energy: 1.8314933966244136
Energy: 1.7490871492369506
Energy: 1.8683136117580401
Energy: 1.7810189735681161
Energy: 1.531442040704675
Energy: 1.7810189735735167
Energy: 1.8683136117573476
Energy: 1.7810189735696396
Energy: 1.5358786372105522
Energy: 1.5427882446411756
Energy: 1.5227629604643536
Energy: 1.5427882446418677
Energy: 1.5358786372105522
Energy: 1.5427882446464376
Energy: 1.5234639706070623
Energy: 1.7434148314199684
Energy: 2.138185725221419
Energy: 1.7434148314192761
Energy: 1.5234639706078934
Energy: 1.7434148314207991
Energy: 1.8337592471861643
Energy: 2.2171513461653967
Energy: 1.8647928437534549
Energy: 2.217151346160134
Energy: 1.833759247176194
Energy: 2.2171513461653967
Energy: 1.543864074187008
Energy: 1.8381961153631337
Energy: 1.9339524564335804
Energy: 1.8381961153653494
Energy: 1.543864074187008
Energy: 1.8381961153631337
Energy: 2.0491099032167788
Energy: 1.5858901556646494
Energy: 1.5268568115796763
Energy: 1.5858901556638187
Energy: 2.0491099032237026
Energy: 1.5858901556646494
Energy: 1.5362464399255205
Energy: 1.8576022931076823
Energy: 1.9838515322538237
Energy: 1.857602293110729
Energy: 1.5362464399263513
Energy: 1.8576022931092058
Energy: 1.8221500426703519
Energy: 1.933385583275726
Energy: 1.901456674318864
Energy: 1.9333855832735103
Energy: 1.8221500426512416
Energy: 1.9333855832697715
Energy: 1.5358241705024964
Energy: 2.0391022440111897
Energy: 2.16383424453005
Energy: 2.0391022440073123
Energy: 1.5358241705031888
Energy: 2.0391022440073123

minimum gb energy = 1.5153568724595523 eV
minimum distance =  2.18545076075023 Angstroms
sigma value = 41


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

Energy: 1.3585101234231447
Energy: 1.359602680849474
Energy: 2.266167801203235
Energy: 1.359602680849474
Energy: 1.3585101234231447
Energy: 1.3596026808515536
Energy: 2.077686526790812
Energy: 1.3120792077188321
Energy: 1.3196495258863365
Energy: 1.3120792077209116
Energy: 2.077686526790812
Energy: 1.3120792077188321
Energy: 1.3563054485513937
Energy: 1.526097641304747
Energy: 1.3215987835599208
Energy: 1.5260976413068263
Energy: 1.3563054485493142
Energy: 1.5260976413109852
Energy: 2.1331015442396324
Energy: 1.312328768855286
Energy: 1.3225347620883898
Energy: 1.312328768855286
Energy: 2.133101544241712
Energy: 1.3123287688469678
Energy: 1.3539540205579061
Energy: 1.8170426472342478
Energy: 1.322915460477363
Energy: 1.8170426472300891
Energy: 1.3539540205579061
Energy: 1.8170426472363275
Energy: 1.3527588087302649
Energy: 1.3507973938785667
Energy: 1.321457149675746
Energy: 1.3507973938806463
Energy: 1.3527588087302649
Energy: 1.3507973938785667
Energy: 2.0697732831002327
Energy: 1.311476947784622
Energy: 1.3192479807067607
Energy: 1.311476947784622
Energy: 2.0697732831023123
Energy: 1.3114769477867014
Energy: 1.3599422103788328
Energy: 1.319641373187509
Energy: 1.3205749516118748
Energy: 1.3196413731916683
Energy: 1.3599422103829921
Energy: 1.3196413731833503
Energy: 2.04265179253547
Energy: 1.3548875326678889
Energy: 1.314418221248508
Energy: 1.3548875326678889
Energy: 2.042651792539629
Energy: 1.3548875326658092
Energy: 1.364198282774123
Energy: 1.8186253866324906
Energy: 1.3192407138570883
Energy: 1.8186253866283317
Energy: 1.364198282774123
Energy: 1.8186253866179343
Energy: 2.0725550322230473
Energy: 1.3112191496197398
Energy: 1.313432862131113
Energy: 1.3112191496176606
Energy: 2.072555032227206
Energy: 1.3112191496197398
Energy: 1.3700808775816633
Energy: 1.5375237404979936
Energy: 2.0885025731840052
Energy: 1.5375237405000732
Energy: 1.3700808775816633
Energy: 1.5375237404979936
Energy: 2.072448290225476
Energy: 1.3113503652821095
Energy: 1.3137700762734161
Energy: 1.3113503652821095
Energy: 2.072448290225476
Energy: 1.3113503652841891
Energy: 1.3641532995147185
Energy: 1.8190522659405102
Energy: 1.3193141854378079
Energy: 1.8190522659509079
Energy: 1.3641532995147185
Energy: 1.8190522659405102

minimum gb energy = 1.3112191496176606 eV
minimum distance =  2.24367658465706 Angstroms
sigma value = 11


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

Energy: 2.076523729820371
Energy: 1.6364228871860815
Energy: 2.1535166293377825
Energy: 1.6364228872929631
Energy: 2.076523729820371
Energy: 1.636422887255509
Energy: 1.9790906827521961
Energy: 1.9956453718673
Energy: 1.6026204963076902
Energy: 1.9956453718663871
Energy: 1.9790906827521961
Energy: 1.9956453718673
Energy: 1.573901991183341
Energy: 1.7774346566936188
Energy: 1.5725031469330248
Energy: 1.7774346566936188
Energy: 1.5739019911842544
Energy: 1.7774346566936188
Energy: 1.5856746134065642
Energy: 1.623285584028283
Energy: 1.5866775935112625
Energy: 1.6232855840264562
Energy: 1.585674613405651
Energy: 1.6232855840291964
Energy: 1.8743458134769764
Energy: 1.8351175819056345
Energy: 1.584305959140615
Energy: 1.835117581910202
Energy: 1.8743458134778896
Energy: 1.8351175819056345
Energy: 1.6570901191747005
Energy: 1.8582256061826494
Energy: 1.8800563938066215
Energy: 1.8582256061826494
Energy: 1.6570901191737872
Energy: 1.85822560618539
Energy: 1.5855119192948084
Energy: 2.0130840146245963
Energy: 1.6518472813841223
Energy: 2.0130840146264237
Energy: 1.5855119192920677
Energy: 2.0130840146245963
Energy: 1.5743614138461768
Energy: 1.620260765944551
Energy: 1.756125098185175
Energy: 1.6202607659463777
Energy: 1.5743614138452633
Energy: 1.620260765945464
Energy: 1.9379684677946372
Energy: 1.6921709167671382
Energy: 1.611234644247343
Energy: 1.692170916768965
Energy: 1.9379684677928102
Energy: 1.6921709167680514
Energy: 1.6204273491503194
Energy: 1.8967596394271589
Energy: 1.5856066855101443
Energy: 1.8967596394262456
Energy: 1.6204273491503194
Energy: 1.8967596394244184
Energy: 1.866159946770863
Energy: 2.0421289892941235
Energy: 1.9107708920496447
Energy: 2.0421289892941235
Energy: 1.8661599467699497
Energy: 2.042128989296864
Energy: 1.5714719422155328
Energy: 1.868647754292949
Energy: 1.9144571697741548
Energy: 1.868647754292949
Energy: 1.5714719422164463
Energy: 1.868647754294776
Energy: 1.5783227359550422
Energy: 1.7698438535164696
Energy: 1.7253701254225242
Energy: 1.7698438535155563
Energy: 1.5783227359541288
Energy: 1.7698438535173833
Energy: 1.5875407094225076
Energy: 1.6914890367809958
Energy: 1.5864089621829163
Energy: 1.6914890367819095
Energy: 1.5875407094225076
Energy: 1.6914890367800826
Energy: 1.5752885711625215
Energy: 1.9267014831921576
Energy: 1.9343099248048101
Energy: 1.9267014831912441
Energy: 1.5752885711724869
Energy: 1.9267014831903304
Energy: 2.0037942857784135
Energy: 1.973240312825952
Energy: 1.6535381286733521
Energy: 1.9732403128250382
Energy: 2.0037942857793265
Energy: 1.973240312825952
Energy: 1.6513799022030227
Energy: 2.0137761744616527
Energy: 1.8771225561406046
Energy: 2.013776174458912
Energy: 1.6513799022030227
Energy: 2.0137761744634797
Energy: 1.8704003861040772
Energy: 1.9262774028278011
Energy: 1.575536290546909
Energy: 1.9262774028268876
Energy: 1.8704003861040772
Energy: 1.9262774028278011
Energy: 1.5903343591061598
Energy: 1.765566959096034
Energy: 1.5843028179281362
Energy: 1.765566959094207
Energy: 1.5903343591061598
Energy: 1.7655669590969474
Energy: 1.5856416807055225
Energy: 1.7757577862217364
Energy: 1.5734716978351604
Energy: 1.7757577862235634
Energy: 1.5856416807055225
Energy: 1.77575778622265
Energy: 1.8745778137884173
Energy: 1.8666305698917123
Energy: 1.5735055032507803
Energy: 1.8666305698926258
Energy: 1.874577813789331
Energy: 1.8666305698917123
Energy: 1.9124824177786808
Energy: 2.0417594833795514
Energy: 1.8709017690737575
Energy: 2.041759483380465
Energy: 1.9124824177777673
Energy: 2.041759483380465
Energy: 1.5875865554392006
Energy: 1.899282358566654
Energy: 1.6234791836780806
Energy: 1.899282358567567
Energy: 1.5875865554392006
Energy: 1.899282358567567
Energy: 1.608362511201247
Energy: 1.6911982859597885
Energy: 1.9799848155755202
Energy: 1.6911982859607022
Energy: 1.608362511201247
Energy: 1.6911982859597885
Energy: 1.7589789594800163
Energy: 1.6193715781773503
Energy: 1.5704045760961183
Energy: 1.619371578179177
Energy: 1.7589789594754488
Energy: 1.619371578179177
Energy: 1.650723309835832
Energy: 1.8240883302183077
Energy: 1.585694341434795
Energy: 1.8240883302173947
Energy: 1.6507233098340048
Energy: 1.824088330220135
Energy: 1.8661447081569233
Energy: 1.8557094556043592
Energy: 1.874348870244974
Energy: 1.8557094556061862
Energy: 1.8661447081550966
Energy: 1.8557094556052725
Energy: 1.5842494202008013
Energy: 1.8247430749481985
Energy: 1.6579354452497597
Energy: 1.8247430749481985
Energy: 1.5842494202008013
Energy: 1.8247430749491118
Energy: 1.5784123253648845
Energy: 1.617010602247643
Energy: 1.584852268907687
Energy: 1.617010602247643
Energy: 1.5784123253667117
Energy: 1.6170106022485566
Energy: 1.5710617748247562
Energy: 1.7789356387569046
Energy: 1.5750386146606092
Energy: 1.7789356387569046
Energy: 1.5710617748238425
Energy: 1.7789356387559911
Energy: 1.6107133422772855
Energy: 1.9958823867357087
Energy: 2.0407119168625623
Energy: 1.995882386734795
Energy: 1.6107133422781992
Energy: 1.9958823867357087

minimum gb energy = 1.5704045760961183 eV
minimum distance =  2.21101022739575 Angstroms
sigma value = 57


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

Energy: 1.720054099686521
Energy: 1.7600443863870192
Energy: 2.059684767670074
Energy: 1.7600443863853936
Energy: 1.7200540996946492
Energy: 1.7600443863935216
Energy: 1.739095045629733
Energy: 1.7187324889379558
Energy: 1.6621783095206188
Energy: 1.7395359460025692
Energy: 1.7390950456281073
Energy: 1.7187324889395812
Energy: 1.6626723127313325
Energy: 1.7556479483165002
Energy: 1.6623575987210215
Energy: 1.7556479483148746
Energy: 1.6626723127313325
Energy: 1.7556479483165002
Energy: 1.6638464983106636
Energy: 2.0919989073667997
Energy: 1.6637948737481065
Energy: 2.0847311943513973
Energy: 1.6638464983106636
Energy: 1.791389834432553
Energy: 1.6623333642457654
Energy: 1.7555960028765791
Energy: 1.6623689877116108
Energy: 1.7555960028749535
Energy: 1.6623333642441396
Energy: 1.7555960028749535
Energy: 1.6616740274137298
Energy: 1.7184830234723198
Energy: 1.7398344670175925
Energy: 1.718483023469069
Energy: 1.6616740274153554
Energy: 1.718483023470694
Energy: 1.9555614170321491
Energy: 1.7600443863870192
Energy: 1.7200540996848956
Energy: 1.7600443863870192
Energy: 1.955561417028898
Energy: 1.7600443863902704
Energy: 1.6621783095319982
Energy: 1.718732488941207
Energy: 1.739095045629733
Energy: 1.7187324889395812
Energy: 1.6621783095352494
Energy: 1.9159206017061252
Energy: 1.662357598722647
Energy: 1.7556479483148746
Energy: 1.6626723127313325
Energy: 1.7556479483148746
Energy: 1.6623575987210215
Energy: 1.7556479483148746
Energy: 1.663794873749732
Energy: 2.09199890739281
Energy: 1.663846498309038
Energy: 1.7913898674454636
Energy: 1.6637948737481065
Energy: 2.084731194336767
Energy: 1.662368987703483
Energy: 1.7555960028749535
Energy: 1.6623333642457654
Energy: 1.7555960028798303
Energy: 1.6623689877018573
Energy: 1.7555960028765791
Energy: 1.7398344670175925
Energy: 1.718483023469069
Energy: 1.6616740274137298
Energy: 1.718483023467443
Energy: 1.7398344670175925
Energy: 1.718483023469069
Energy: 1.7200540996897724
Energy: 1.7600443863902704
Energy: 1.9555614170305238
Energy: 1.7600443863853936
Energy: 1.7200540996848956
Energy: 1.7600443863935216
Energy: 1.7390950456281073
Energy: 1.718732488941207
Energy: 1.662178309518993
Energy: 1.7187324889395812
Energy: 1.739095045629733
Energy: 1.7187324889428324
Energy: 1.6626723127232046
Energy: 1.7556479483148746
Energy: 1.6623575987210215
Energy: 1.7556479483165002
Energy: 1.6626723127329581
Energy: 1.7556479483148746
Energy: 1.6638464983074124
Energy: 1.791389898843326
Energy: 1.663794873749732
Energy: 2.0919989074074405
Energy: 1.6638464983106636
Energy: 1.791389898745789
Energy: 1.6623333642457654
Energy: 1.7555960028749535
Energy: 1.6623689877051084
Energy: 1.7555960028765791
Energy: 1.6623333642457654
Energy: 1.7555960028749535

minimum gb energy = 1.6616740274137298 eV
minimum distance =  2.23802527372111 Angstroms
sigma value = 9


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

Energy: 2.0027209460570106
Energy: 2.0343713652094277
Energy: 1.9955467418314057
Energy: 2.034371365206773
Energy: 2.002720946054356
Energy: 2.0343713652094277
Energy: 1.8615014146913078
Energy: 2.1530778412232596
Energy: 1.7677200841499354
Energy: 2.1530778412232596
Energy: 1.8615014146899806
Energy: 2.1530778412232596
Energy: 1.7662864099230335
Energy: 1.960337335400142
Energy: 1.7653510529497407
Energy: 1.960337335400142
Energy: 1.766286409920379
Energy: 1.960337335400142
Energy: 1.7739311366410482
Energy: 1.7922591942060049
Energy: 1.7811401896009567
Energy: 1.792259194198041
Energy: 1.7739311366423756
Energy: 1.7922591942020227
Energy: 1.750093370730306
Energy: 1.887043400369736
Energy: 1.7195975797503318
Energy: 1.8870434003670813
Energy: 1.750093370730306
Energy: 1.8870434003684087
Energy: 1.7733865895352658
Energy: 1.827159496038493
Energy: 1.9430109966659723
Energy: 1.8271594960398203
Energy: 1.7733865895352658
Energy: 1.827159496038493
Energy: 1.760682024162364
Energy: 1.8804364286547395
Energy: 1.7774925425362496
Energy: 1.8804364286534123
Energy: 1.760682024162364
Energy: 1.8804364286547395
Energy: 1.7684266487539058
Energy: 2.1211022144050222
Energy: 1.7691728548648686
Energy: 2.1211022144063496
Energy: 1.768426648751251
Energy: 2.121102214403695
Energy: 1.7772820075301545
Energy: 1.843890781453022
Energy: 1.7642827520808242
Energy: 1.843890781453022
Energy: 1.7772820075459617
Energy: 1.843890781451695
Energy: 1.731838648297739
Energy: 2.0227739930391135
Energy: 1.8413037951980937
Energy: 2.0227739930391135
Energy: 1.7318386482990664
Energy: 2.0227739930391135
Energy: 1.7571123527847796
Energy: 1.9652212395747857
Energy: 1.8468220967883013
Energy: 1.9652212395761128
Energy: 1.7571123527861068
Energy: 1.9652212395747857
Energy: 1.7572491589559818
Energy: 1.792112831733298
Energy: 1.7771093090837775
Energy: 1.7921128317359525
Energy: 1.7572491589573092
Energy: 1.79211283173728
Energy: 1.7578913421845244
Energy: 1.843565843932933
Energy: 1.7765917193840548
Energy: 1.843565843932933
Energy: 1.7578913421845244
Energy: 1.843565843932933
Energy: 1.757042352710257
Energy: 1.8305606430607868
Energy: 1.845409573254818
Energy: 1.830560643062114
Energy: 1.7570423527089296
Energy: 1.830560643062114
Energy: 1.9714329774919521
Energy: 1.8849969322288602
Energy: 1.7964640369564686
Energy: 1.884996932227533
Energy: 1.9714329774906247
Energy: 1.884996932227533
Energy: 1.882607439250675
Energy: 1.889459528942751
Energy: 1.847363550924568
Energy: 1.889459528942751
Energy: 1.882607439250675
Energy: 1.8894595289414238
Energy: 1.9013100807016223
Energy: 2.0452847685207614
Energy: 1.7824497621354005
Energy: 2.045284768518106
Energy: 1.901310080705604
Energy: 2.045284768519434
Energy: 1.8375126282630558
Energy: 1.9487461299958815
Energy: 1.7910174076319503
Energy: 1.9487461299958815
Energy: 1.8375126282617285
Energy: 1.948746129993227
Energy: 1.761906033052731
Energy: 1.8279892613961355
Energy: 1.8571065658133927
Energy: 1.8279892613961355
Energy: 1.761906033056713
Energy: 1.8279892613961355
Energy: 1.7597507148345586
Energy: 1.888414553664235
Energy: 1.7366767149273485
Energy: 1.8884145536655623
Energy: 1.7597507148345586
Energy: 1.8884145536655623
Energy: 1.7618385257224725
Energy: 1.7901652187593518
Energy: 1.746076364392487
Energy: 1.7901652187620065
Energy: 1.7618385257224725
Energy: 1.7901652187606791

minimum gb energy = 1.7195975797503318 eV
minimum distance =  2.24608059651773 Angstroms
sigma value = 27


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

Energy: 1.8191563101928585
Energy: 1.9675563803168676
Energy: 1.9096252467380317
Energy: 1.96755638031463
Energy: 1.8191563101928585
Energy: 1.9675563803157488
Energy: 1.6753790654580172
Energy: 1.853446443100092
Energy: 1.7033979348156243
Energy: 1.8534464431145354
Energy: 1.6753790654557799
Energy: 1.8534464431111788
Energy: 1.7057603059246327
Energy: 1.9397257042524763
Energy: 1.7039279120910242
Energy: 1.9397257042524763
Energy: 1.7057603059246327
Energy: 1.939725704254714
Energy: 1.7067880609455655
Energy: 1.7764110633495636
Energy: 1.7001438241791305
Energy: 1.7764110633495636
Energy: 1.7067880609466843
Energy: 1.7764110633473262
Energy: 1.675634361348902
Energy: 1.91341366448221
Energy: 1.700536769150312
Energy: 1.9134136644799724
Energy: 1.675634361348902
Energy: 1.9134136644799724
Energy: 1.7213900494428107
Energy: 1.7546917306183316
Energy: 1.7152934921936183
Energy: 1.7546917306183316
Energy: 1.7213900494439298
Energy: 1.7546917306194505
Energy: 1.7056414972450948
Energy: 1.8017480773719912
Energy: 1.700625204136127
Energy: 1.8017480773719912
Energy: 1.705641497243976
Energy: 1.8017480773708725
Energy: 1.6896995041985055
Energy: 1.809752044891934
Energy: 1.7003774169605903
Energy: 1.809752044890815
Energy: 1.6896995041985055
Energy: 1.8097520448941715
Energy: 1.763853945338618
Energy: 1.794646713686357
Energy: 1.9152288292653674
Energy: 1.7946467136964266
Energy: 1.7638539453397368
Energy: 1.7946467136897137
Energy: 1.6912360857843134
Energy: 1.8839888521208061
Energy: 1.789249272279075
Energy: 1.8839888521185684
Energy: 1.6912360857843134
Energy: 1.8839888521208061
Energy: 1.691459382440501
Energy: 1.883460609207858
Energy: 1.7894265593870406
Energy: 1.883460609207858
Energy: 1.69145938244162
Energy: 1.8834606092067392
Energy: 1.7640492302248811
Energy: 1.794799422937984
Energy: 1.9153551099003487
Energy: 1.7947994229357465
Energy: 1.7640492302237625
Energy: 1.7947994229346276
Energy: 1.689364631339062
Energy: 1.8097817878997375
Energy: 1.7007557993703892
Energy: 1.8097817878986187
Energy: 1.689364631337943
Energy: 1.8097817878975
Energy: 1.7053214153336582
Energy: 1.8017369112395958
Energy: 1.7012975703860136
Energy: 1.8017369112418333
Energy: 1.7053214153347769
Energy: 1.8017369112418333
Energy: 1.7207466973280654
Energy: 1.7551109986934528
Energy: 1.7152383857721643
Energy: 1.755110998692334
Energy: 1.720746697329184
Energy: 1.755110998692334
Energy: 1.6754593389906294
Energy: 1.913413664481091
Energy: 1.7006264992371767
Energy: 1.913413664481091
Energy: 1.6754593389928674
Energy: 1.913413664481091
Energy: 1.7068130421661176
Energy: 1.7765131956758693
Energy: 1.700121221649187
Energy: 1.7765131956814633
Energy: 1.7068130421672363
Energy: 1.7765131956792257
Energy: 1.705951591494107
Energy: 1.9395838840652315
Energy: 1.7044866725377799
Energy: 1.9395838840641126
Energy: 1.7059515914929884
Energy: 1.9395838840641126
Energy: 1.675513119837602
Energy: 1.8537343734717193
Energy: 1.7034280349234214
Energy: 1.8537343734761946
Energy: 1.675513119837602
Energy: 1.8537343734795508
Energy: 1.8191563101928585
Energy: 1.96755638031463
Energy: 1.9096252467380317
Energy: 1.9675563803157488
Energy: 1.8191563101928585
Energy: 1.9675563803157488
Energy: 1.6753790654568985
Energy: 1.8534464431034487
Energy: 1.7033979348167432
Energy: 1.8534464431068052
Energy: 1.6753790654557799
Energy: 1.8534464430922604
Energy: 1.7057603059257516
Energy: 1.9397257042524763
Energy: 1.7039279120910242
Energy: 1.939725704254714
Energy: 1.7057603059235138
Energy: 1.9397257042524763
Energy: 1.7067880609466843
Energy: 1.7764110633518013
Energy: 1.700143824180249
Energy: 1.7764110633495636
Energy: 1.7067880609466843
Energy: 1.7764110633518013
Energy: 1.675634361348902
Energy: 1.913413664481091
Energy: 1.700536769150312
Energy: 1.913413664481091
Energy: 1.675634361347783
Energy: 1.91341366448221
Energy: 1.7213900494450487
Energy: 1.754691730617213
Energy: 1.7152934921936183
Energy: 1.754691730617213
Energy: 1.7213900494439298
Energy: 1.7546917306194505

minimum gb energy = 1.6753790654557799 eV
minimum distance =  2.2467582222713 Angstroms
sigma value = 19


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

Energy: 1.8270489018805323
Energy: 1.9374722922080296
Energy: 1.8302742925693867
Energy: 1.9374722922060983
Energy: 1.827048901877635
Energy: 1.937472292207064
Energy: 1.8326089585126546
Energy: 1.803360883159224
Energy: 1.6722330236557947
Energy: 1.8033608831611556
Energy: 1.8326089585116891
Energy: 1.80336088316019
Energy: 1.6346521674287546
Energy: 1.7616665554480277
Energy: 1.6749335425189198
Energy: 1.7616665554480277
Energy: 1.6346521674297199
Energy: 1.7616665554460964
Energy: 1.6336706764009459
Energy: 1.842847541991616
Energy: 1.648002296044486
Energy: 1.8428475419906503
Energy: 1.6336706764019115
Energy: 1.842847541988719
Energy: 1.628497060209781
Energy: 1.7961754008603923
Energy: 1.6365599250152891
Energy: 1.7961754008603923
Energy: 1.6284970602088151
Energy: 1.7961754008603923
Energy: 1.6675443495987898
Energy: 1.7997179057166488
Energy: 1.6392259176864927
Energy: 1.7997179057166488
Energy: 1.6675443495987898
Energy: 1.799717905715683
Energy: 1.6173961259956968
Energy: 1.8586928830941085
Energy: 1.6254091183460129
Energy: 1.85869288309604
Energy: 1.617396125991834
Energy: 1.85869288309604
Energy: 1.7321655826531446
Energy: 1.7015117208127908
Energy: 1.6400943745096752
Energy: 1.701511720810859
Energy: 1.7321655826541105
Energy: 1.701511720811825
Energy: 1.6342454787387375
Energy: 1.7758726414941608
Energy: 1.7268384169585405
Energy: 1.7758726414941608
Energy: 1.6342454787397034
Energy: 1.7758726414922292
Energy: 1.621927590552123
Energy: 1.8755767482368018
Energy: 1.6267394978238132
Energy: 1.875576748235836
Energy: 1.621927590552123
Energy: 1.875576748235836
Energy: 1.7282133351467317
Energy: 1.785902272226479
Energy: 1.6696250887978292
Energy: 1.7859022722235818
Energy: 1.7282133351467317
Energy: 1.7859022722245474
Energy: 1.7422492417265467
Energy: 1.8758432069009283
Energy: 1.6271525600314647
Energy: 1.8758432069028599
Energy: 1.7422492417275126
Energy: 1.875843206901894
Energy: 1.7445285933818895
Energy: 1.9726748083113776
Energy: 1.6276271417963635
Energy: 1.9726748083113776
Energy: 1.7445285933818895
Energy: 1.972674808310412
Energy: 1.6375248135449145
Energy: 1.8343120907475046
Energy: 1.7914615604240336
Energy: 1.834312090745573
Energy: 1.6375248135449145
Energy: 1.8343120907475046
Energy: 1.6225020101006815
Energy: 1.803979054254113
Energy: 1.5890499137354885
Energy: 1.8039790542550787
Energy: 1.6225020101006815
Energy: 1.8039790542550787
Energy: 1.6196073008690646
Energy: 1.781775113654639
Energy: 1.6263561657767769
Energy: 1.7817751136556044
Energy: 1.6196073008700302
Energy: 1.781775113654639
Energy: 1.6792768290902955
Energy: 1.6999810661137245
Energy: 1.66607183922926
Energy: 1.6999810661137245
Energy: 1.6792768290912612
Energy: 1.6999810661117931
Energy: 1.619187828007093
Energy: 1.8696215842491388
Energy: 1.5869589515868028
Energy: 1.8696215842481732
Energy: 1.619187828008059
Energy: 1.8696215842491388
Energy: 1.6795066533229024
Energy: 1.7000068814584197
Energy: 1.6654052515156847
Energy: 1.7000068814584197
Energy: 1.6795066533229024
Energy: 1.7000068814593854
Energy: 1.619365008562541
Energy: 1.7783259248259202
Energy: 1.5888690262594776
Energy: 1.7783259248249546
Energy: 1.619365008562541
Energy: 1.778325924823023
Energy: 1.6224923554819026
Energy: 1.8036594557058139
Energy: 1.5889730559321755
Energy: 1.8036594557038823
Energy: 1.6224923554799713
Energy: 1.8036594557038823
Energy: 1.6374826291048463
Energy: 1.8345215316744743
Energy: 1.7914486172366861
Energy: 1.83452153167544
Energy: 1.6374826291038806
Energy: 1.83452153167544
Energy: 1.7445616362858667
Energy: 1.9729099943224893
Energy: 1.62762419514786
Energy: 1.9729099943215236
Energy: 1.7445616362868326
Energy: 1.9729099943215236
Energy: 1.74219012494215
Energy: 1.875736558513142
Energy: 1.6275790916975577
Energy: 1.8757365585169175
Energy: 1.7421901249411842
Energy: 1.8757365585150736
Energy: 1.7279097500323937
Energy: 1.7857492227238185
Energy: 1.6693474430982012
Energy: 1.7857492227238185
Energy: 1.7279097500333593
Energy: 1.7857492227247842
Energy: 1.6217836065271973
Energy: 1.883506273911122
Energy: 1.6267386000473272
Energy: 1.883506273910156
Energy: 1.6217836065262317
Energy: 1.883506273910156
Energy: 1.6342731527362058
Energy: 1.7755217684768687
Energy: 1.7268384169575746
Energy: 1.7755217684778346
Energy: 1.6342731527362058
Energy: 1.775521768475903
Energy: 1.7314545587450314
Energy: 1.701716838269559
Energy: 1.6400820533222706
Energy: 1.701716838269559
Energy: 1.731454558746963
Energy: 1.7017168382714907
Energy: 1.6216968227390964
Energy: 1.8586928830950744
Energy: 1.6254556578978856
Energy: 1.85869288309604
Energy: 1.621696822741028
Energy: 1.85869288309604

minimum gb energy = 1.5869589515868028 eV
minimum distance =  2.24990264199077 Angstroms
sigma value = 101


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

Energy: 1.8035673923872517
Energy: 1.8708966088183905
Energy: 1.7636773941894293
Energy: 1.8708966088175416
Energy: 1.8035673924076265
Energy: 1.8708966088192394
Energy: 1.5535886188151056
Energy: 1.8852699842429017
Energy: 1.6102576216209747
Energy: 1.8852699842412037
Energy: 1.5535886188176522
Energy: 1.8852699842412037
Energy: 1.5350899037678254
Energy: 1.741770258472093
Energy: 1.608719710088981
Energy: 1.741770258471244
Energy: 1.5350899037669765
Energy: 1.741770258472942
Energy: 1.563478701501664
Energy: 1.8161075446038188
Energy: 1.5758608091612194
Energy: 1.760102057133273
Energy: 1.56347870150506
Energy: 1.8161075446021209
Energy: 1.547716489992331
Energy: 1.8331518182874773
Energy: 1.5369610168204018
Energy: 1.833151818289175
Energy: 1.547716489992331
Energy: 1.8331518182849302
Energy: 1.585658569802023
Energy: 1.7640722818357286
Energy: 1.540757117985043
Energy: 1.7640722818357286
Energy: 1.5856585698011736
Energy: 1.7640722818374264
Energy: 1.5366868286711144
Energy: 1.8328400894303412
Energy: 1.5471296907924224
Energy: 1.8328400894303412
Energy: 1.5366868286711144
Energy: 1.8328400894311903
Energy: 1.5402768067764214
Energy: 1.8347502036494503
Energy: 1.565542456189397
Energy: 1.8477997643249657
Energy: 1.5402768067781192
Energy: 1.8208226961252745
Energy: 1.5689520584216707
Energy: 1.7215600800344388
Energy: 1.5816233457514595
Energy: 1.721560080032741
Energy: 1.5689520584233685
Energy: 1.721560080032741
Energy: 1.5754053167153987
Energy: 1.7906883891131824
Energy: 1.5225196743646352
Energy: 1.7906883891123333
Energy: 1.5754053167145496
Energy: 1.7906883891131824
Energy: 1.6691409234440195
Energy: 1.75617477912506
Energy: 1.6465640507255264
Energy: 1.7561747791242106
Energy: 1.6691409234457175
Energy: 1.7561747791259086
Energy: 1.610350767815446
Energy: 1.8439620754976676
Energy: 1.5419551634319049
Energy: 1.8439620754959698
Energy: 1.6103507678162947
Energy: 1.8439620754976676
Energy: 1.608407440872324
Energy: 1.7409175847009284
Energy: 1.670085270647453
Energy: 1.7409175847009284
Energy: 1.608407440872324
Energy: 1.7409175847026264
Energy: 1.5681657262756388
Energy: 1.7960289305248307
Energy: 1.5526403478787376
Energy: 1.7196955488594132
Energy: 1.5681657262764876
Energy: 1.7971459255171942
Energy: 1.53404740466173
Energy: 1.9843127980664192
Energy: 1.5571004332410754
Energy: 1.9843127980672681
Energy: 1.53404740466173
Energy: 1.9843127980672681
Energy: 1.6068464963819555
Energy: 1.7403077250301946
Energy: 1.54158676889277
Energy: 1.7403077250284966
Energy: 1.6068464963768618
Energy: 1.7403077250259498
Energy: 1.5238476582518152
Energy: 1.8140517893264951
Energy: 1.5704605063855892
Energy: 1.814051789323948
Energy: 1.5238476582518152
Energy: 1.8140517893256458
Energy: 1.5517222433887912
Energy: 1.8520383472381483
Energy: 1.5732720812195995
Energy: 1.8520383472372994
Energy: 1.551722243387942
Energy: 1.8520383472364506
Energy: 1.5685594564100003
Energy: 1.7584856268462934
Energy: 1.639281883018512
Energy: 1.7584856268454445
Energy: 1.5685594564125471
Energy: 1.7584856268454445
Energy: 1.5222667993238839
Energy: 1.8429636902820294
Energy: 1.571399284615801
Energy: 1.8429636902828785
Energy: 1.522266799321337
Energy: 1.8429636902811808
Energy: 1.5758742690560346
Energy: 1.6513842403837375
Energy: 1.5367717649246226
Energy: 1.65138424038968
Energy: 1.5758742690560346
Energy: 1.6513842403871333
Energy: 1.5415748278655308
Energy: 1.7226603553377777
Energy: 1.5752075334834637
Energy: 1.7226603553352307
Energy: 1.5415748278638328
Energy: 1.7226603553360798
Energy: 1.5358964317274373
Energy: 1.7059927687211167
Energy: 1.5715184355933565
Energy: 1.7059927687211167
Energy: 1.5358964317274373
Energy: 1.7059927687228145
Energy: 1.5637188998699985
Energy: 1.8156789542162346
Energy: 1.6703388267023933
Energy: 1.7993346289121255
Energy: 1.5637188998691494
Energy: 1.8156789542085943
Energy: 1.5475499085803734
Energy: 1.8524176383039093
Energy: 1.5212359621746039
Energy: 1.8524176383039093
Energy: 1.5475499085786755
Energy: 1.8524176383047584
Energy: 1.6783553930493686
Energy: 1.8110539776422894
Energy: 1.605723876495982
Energy: 1.8110539776405916
Energy: 1.6783553930493686
Energy: 1.8110539776414403
Energy: 1.556665089490201
Energy: 1.8589528616865332
Energy: 1.52202773697463
Energy: 1.8589528616788926
Energy: 1.5566650894868055
Energy: 1.8589528616856839
Energy: 1.5606545275562003
Energy: 1.9837411536326737
Energy: 1.5227617766619437
Energy: 1.9837411536335228
Energy: 1.5606545275570491
Energy: 1.9837411536335228
Energy: 1.7887619659913188
Energy: 1.8259435426204418
Energy: 1.6800017141436456
Energy: 1.8259435426195927
Energy: 1.7887619659947145
Energy: 1.8259435426204418
Energy: 1.5728617411922572
Energy: 1.7964698492837234
Energy: 1.5229154310700117
Energy: 1.7964698492828746
Energy: 1.5728617411922572
Energy: 1.7964698492888174
Energy: 1.5703640613384342
Energy: 1.752479356045578
Energy: 1.5372146166567542
Energy: 1.752479356045578
Energy: 1.5703640613350383
Energy: 1.75247935604388
Energy: 1.585621005026298
Energy: 1.703272478028818
Energy: 1.5420338141588876
Energy: 1.7032724780296673
Energy: 1.585621005027147
Energy: 1.703272478031365
Energy: 1.54239997486383
Energy: 1.8442850605921122
Energy: 1.536086556341189
Energy: 1.8442850605921122
Energy: 1.5423999748655277
Energy: 1.8442850605929608

minimum gb energy = 1.5212359621746039 eV
minimum distance =  2.25153131500438 Angstroms
sigma value = 33


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

Energy: 0.048215522092208675
Energy: 0.05091132919873327
Energy: 1.4318114265912678
Energy: 0.05091132920077099
Energy: 0.04821552209150331
Energy: 0.05091132920077099
Energy: 0.0495655467344272
Energy: 0.8812117552261379
Energy: 0.04956554673309485
Energy: 0.8812117552261379
Energy: 0.049565546736543294
Energy: 0.8812117552261379
Energy: 1.4318114265878192
Energy: 0.05091132919873327
Energy: 0.048215522092208675
Energy: 0.05091132919943864
Energy: 1.4318114265954214
Energy: 0.050911329201476355
Energy: 0.049565546732389484
Energy: 0.8812117552281756
Energy: 0.0495655467344272
Energy: 0.8812117552268434
Energy: 0.049565546736543294
Energy: 0.8812117552268434

minimum gb energy = 0.04821552209150331 eV
minimum distance =  2.42560817657788 Angstroms
sigma value = 1