Model name: model_name=EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.639085099101067
cohesive_energy=3.2833744382290693
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.012534923621793556
Energy: 0.012991614325040984
Energy: 1.2262043991406923
Energy: 0.012991614325040984
Energy: 0.012991614325040984
Energy: 1.0454937984293735
Energy: 0.012991614325040984
Energy: 1.0454937984287547
Energy: 1.2262043991406923
Energy: 0.012991614325040984
Energy: 0.012534923621793556
Energy: 0.012991614325659926
Energy: 0.012991614325659926
Energy: 1.0454937984293735
Energy: 0.012991614325040984
Energy: 1.0454937984287547

minimum gb energy = 0.012534923621793556 eV
minimum distance =  2.5248743862098 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.9653493541704035
Energy: 1.0269947447852263
Energy: 0.844953681136899
Energy: 1.0269947447829746
Energy: 0.9108903374513879
Energy: 0.9891328403934606
Energy: 0.914110913689249
Energy: 0.98913284039271
Energy: 0.8679708433248904
Energy: 1.0196298062361453
Energy: 0.9039352750821436
Energy: 1.0196298062361453
Energy: 0.9063855749483737
Energy: 1.031342982831698
Energy: 0.8855293612119968
Energy: 1.0313429828324487
Energy: 0.9032082084175949
Energy: 1.030162056242261
Energy: 0.8892934167416957
Energy: 1.0301620562415101
Energy: 0.8615458181981036
Energy: 0.9893740136816603
Energy: 0.848950734887631
Energy: 0.9893740136801589
Energy: 0.9124922241725903
Energy: 1.0161798139274745
Energy: 0.862872612543796
Energy: 1.016179813924472
Energy: 0.8077380430852955
Energy: 1.033022915353971
Energy: 0.8476032215776744
Energy: 1.033022915353971
Energy: 0.8850070556148293
Energy: 1.1449540703645074
Energy: 0.913903861754266
Energy: 1.1449540703660088
Energy: 0.8494303752687412
Energy: 1.0188672921357058
Energy: 0.8038590194419952
Energy: 1.0188672921372068
Energy: 0.9184978931163184
Energy: 0.9877200843206196
Energy: 0.8849652993284698
Energy: 0.9877200843213704
Energy: 0.8700271635605545
Energy: 1.030484884270372
Energy: 0.8566795171713558
Energy: 1.0304848842696213
Energy: 0.9129461982571815
Energy: 1.0154466094692132
Energy: 0.912840124223185
Energy: 1.015446609469964
Energy: 0.9039481335529818
Energy: 1.019614163294125
Energy: 0.8778137055416968
Energy: 1.019614163294125
Energy: 0.9091071433917718
Energy: 1.0269177412639332
Energy: 0.9033607779155443
Energy: 1.0269177412639332
Energy: 0.9043190935121591
Energy: 1.0267856786779106
Energy: 0.9103413137128638
Energy: 1.0267856786771599
Energy: 0.9038904228711796
Energy: 1.019603640359807
Energy: 0.855655084113429
Energy: 1.0196036403590563
Energy: 0.914150004600865
Energy: 0.9776738505088063
Energy: 0.9215785149782669
Energy: 0.9776738505103075
Energy: 0.8034934522676408
Energy: 1.0307474791750246
Energy: 0.8554576523471705
Energy: 1.0307474791742737
Energy: 0.9201425200448651
Energy: 0.9066893441323818
Energy: 0.8861202842142896
Energy: 0.9066893441301298
Energy: 0.8524065145628997
Energy: 1.0197265272508702
Energy: 0.8261683122442668
Energy: 1.0197265272523715
Energy: 0.8858900700284518
Energy: 0.907786813125771
Energy: 0.9111844427813335
Energy: 0.9077868131265217
Energy: 0.8894015941719008
Energy: 1.030180652151164
Energy: 0.8554175037028146
Energy: 1.0301806521504135
Energy: 0.8827191804206163
Energy: 1.0183218699266021
Energy: 0.8615506300818923
Energy: 1.0183218699273529
Energy: 0.8627831884305247
Energy: 0.9894452947455943
Energy: 0.9125143597869179
Energy: 0.9894452947463449
Energy: 0.9008013785809778
Energy: 1.0330852061445737
Energy: 0.860014189035681
Energy: 1.0330852061430724
Energy: 0.9092467436909806
Energy: 1.1104635926975974
Energy: 0.8878126699355574
Energy: 1.1104635926953457
Energy: 0.8574843280832289
Energy: 1.0168570804081998
Energy: 0.9552144548894564
Energy: 1.0168570804074493
Energy: 0.9102626247542555
Energy: 0.9594820893292796
Energy: 0.9102506986293353
Energy: 0.9594820893292796
Energy: 0.9656662190929949
Energy: 1.0279055710042502
Energy: 0.8728652383984639
Energy: 1.0279055710042502
Energy: 0.9093678314506628
Energy: 1.0207598475900388
Energy: 0.912863862216353
Energy: 1.0207598475915403
Energy: 0.8823687251849021
Energy: 1.016429432498258
Energy: 0.9039318162592864
Energy: 1.016429432497507
Energy: 0.903005718603633
Energy: 1.0321631684328314
Energy: 0.8851522029266587
Energy: 1.0321631684365846

minimum gb energy = 0.8034934522676408 eV
minimum distance =  2.21744613757828 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.0377525779332157
Energy: 1.094381057704525
Energy: 0.8915734433754455
Energy: 1.094381057710516
Energy: 0.9379343385973931
Energy: 1.0456006813848162
Energy: 0.9622229593655519
Energy: 1.0456006813831045
Energy: 0.9041354654818139
Energy: 1.0989763612310992
Energy: 0.9419417811385342
Energy: 1.0989763612293877
Energy: 0.901955165665183
Energy: 0.9419011977882886
Energy: 0.9002261568210412
Energy: 0.9419011977900003
Energy: 0.9018133136305625
Energy: 1.0822862237728854
Energy: 0.9551095508775193
Energy: 1.082286223769462
Energy: 0.9261173067744374
Energy: 1.0820715684921682
Energy: 0.9108080530075967
Energy: 1.0820715684853213
Energy: 0.9375673501847985
Energy: 0.9333500633768425
Energy: 0.9337308824769216
Energy: 0.9333500633776983
Energy: 0.8427779026339577
Energy: 1.0992075264809915
Energy: 0.8739152661020764
Energy: 1.0992075264809915
Energy: 0.9170012010063641
Energy: 0.964922540450241
Energy: 0.9683340451867779
Energy: 0.9649225404476733
Energy: 0.9015511668372369
Energy: 1.0989965430719153
Energy: 0.8910466622646711
Energy: 1.0989965430684918
Energy: 0.9372418092630908
Energy: 1.0334805137288081
Energy: 0.9512762578408428
Energy: 1.0334805137262406
Energy: 0.8785148938709316
Energy: 1.0897206396950256
Energy: 0.9545081345001718
Energy: 1.0897206396993049
Energy: 0.9634793924563951
Energy: 1.0792430595615936
Energy: 0.9370244438877517
Energy: 1.079243059559882
Energy: 0.9609942871062841
Energy: 1.079252718617419
Energy: 0.9594719450095973
Energy: 1.0792527186208425
Energy: 0.8783359144736841
Energy: 1.089723728459347
Energy: 0.9418613766220991
Energy: 1.0897237284567796
Energy: 0.937230817769566
Energy: 1.0334660444952597
Energy: 0.9340607917881635
Energy: 1.0334660444952597
Energy: 0.9015363603411155
Energy: 1.099028171677726
Energy: 0.868919948582313
Energy: 1.099028171676014
Energy: 0.917005217422424
Energy: 0.964936693425908
Energy: 0.968297956508328
Energy: 0.9649366934250521
Energy: 0.8427526974972375
Energy: 1.0991403713635493
Energy: 0.8876346083663638
Energy: 1.0991403713601258
Energy: 0.9374280980062139
Energy: 0.9336094939066735
Energy: 0.9067538732651997
Energy: 0.9336094939023942
Energy: 0.9261149432449686
Energy: 1.082112042792156
Energy: 0.9393805688716127
Energy: 1.082112042798147
Energy: 0.9017932737744282
Energy: 1.082195836426468
Energy: 0.9327874786876165
Energy: 1.0821958364187654
Energy: 0.901842128990964
Energy: 0.9419403535119942
Energy: 0.9336375299263309
Energy: 0.9419403535119942
Energy: 0.9041307696446772
Energy: 1.098943527579401
Energy: 0.9420426871884043
Energy: 1.0989435275819683
Energy: 0.9379213879300164
Energy: 1.0455805751602434
Energy: 0.9621290243039452
Energy: 1.0455805751593876
Energy: 1.0377525779332157
Energy: 1.094381057704525
Energy: 0.939440661979464
Energy: 1.094381057710516
Energy: 0.9379343385999608
Energy: 1.0456006813848162
Energy: 0.9622229593655519
Energy: 1.0456006813839602
Energy: 0.904135465480958
Energy: 1.0989763612302434
Energy: 0.962019847564909
Energy: 1.0989763612293877
Energy: 0.9019551656660388
Energy: 0.9419011977882886
Energy: 0.9063386472415537
Energy: 0.9419011977900003

minimum gb energy = 0.8427526974972375 eV
minimum distance =  2.22344291942243 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.9857677543256105
Energy: 1.1588210142929758
Energy: 0.9420169251343464
Energy: 1.1588210142909863
Energy: 1.0069334974949333
Energy: 1.0584230276412343
Energy: 0.9675781890847021
Energy: 1.0584230276412343
Energy: 0.9570095637835556
Energy: 1.1888901170211832
Energy: 0.9672556426586663
Energy: 1.188890117022178
Energy: 0.9628302421527302
Energy: 1.0117279407394226
Energy: 0.9466135399653265
Energy: 1.0117279407384276
Energy: 0.9452071229528548
Energy: 1.158699917675546
Energy: 0.9659539902446777
Energy: 1.158699917675546
Energy: 0.9917648724295415
Energy: 1.1873991365385765
Energy: 1.0072608364421003
Energy: 1.1873991365405663
Energy: 1.007556241821067
Energy: 0.9739612929002971
Energy: 0.9660621050080975
Energy: 0.9739612929022871
Energy: 1.0033101158511044
Energy: 1.163411195967925
Energy: 0.9013991139030476
Energy: 1.1634111959659352
Energy: 0.9660879642053415
Energy: 1.0783362286893639
Energy: 1.007345281608905
Energy: 1.0783362286883689
Energy: 0.9693153224453708
Energy: 1.1875472213157037
Energy: 0.9334373503489166
Energy: 1.1875472213157037
Energy: 0.9964234501013164
Energy: 1.1569541707084439
Energy: 1.0065745935746133
Energy: 1.1569541707074489
Energy: 0.9691077094716963
Energy: 1.15830541934826
Energy: 0.9678622599114383
Energy: 1.158305419347265
Energy: 0.96717734630462
Energy: 1.088660071775289
Energy: 0.9344107746450966
Energy: 1.0886600717742942
Energy: 0.9667551845591766
Energy: 1.0312588923222756
Energy: 1.0070197806466294
Energy: 1.0312588923222756
Energy: 0.8881694613215831
Energy: 1.1641178832286172
Energy: 0.8997108770940746
Energy: 1.1641178832296122
Energy: 1.0065981446505534
Energy: 0.9723099707031819
Energy: 0.9455199508943444
Energy: 0.9723099707031819
Energy: 0.8863911613336996
Energy: 1.1890762568768096
Energy: 0.8863104141932318
Energy: 1.1890762568768096
Energy: 0.9470093575269356
Energy: 1.0960929570338842
Energy: 0.9985847682542603
Energy: 1.0960929570338842
Energy: 0.9293357496273609
Energy: 1.0915348121304496
Energy: 0.9453476084771999
Energy: 1.0915348121314445
Energy: 1.007578690249463
Energy: 1.1872549821311171
Energy: 0.9673281457225675
Energy: 1.1872549821311171
Energy: 0.9853924323518731
Energy: 1.0738857749996227
Energy: 0.9680117288226455
Energy: 1.0738857749976327
Energy: 0.987712236878139
Energy: 1.15916836863161
Energy: 0.9915834606702508
Energy: 1.15916836863161
Energy: 1.0076387175148351
Energy: 1.0953095171562968
Energy: 0.9678883415270814
Energy: 1.0953095171562968
Energy: 0.9560752294336353
Energy: 1.1885965519989334
Energy: 0.9693808667761532
Energy: 1.1885965519979385
Energy: 1.0068348160843117
Energy: 0.9851131268810629
Energy: 0.945997140269017
Energy: 0.9851131268820578

minimum gb energy = 0.8863104141932318 eV
minimum distance =  2.22493988632883 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.0544951310718174
Energy: 1.053682641965036
Energy: 0.9953572689378449
Energy: 1.0536826419638492
Energy: 1.023195066769186
Energy: 1.1532329696696015
Energy: 1.0484551146614869
Energy: 1.1532329696696015
Energy: 1.01751090678535
Energy: 1.0580143217034141
Energy: 0.9938058910679171
Energy: 1.0580143217034141
Energy: 1.0710897666012154
Energy: 1.022724271811836
Energy: 0.9633169146908294
Energy: 1.0227242718153966
Energy: 1.071583476727868
Energy: 1.1333343748080391
Energy: 1.0220649802460742
Energy: 1.1333343748080391
Energy: 0.9315452145112475
Energy: 1.056552959265146
Energy: 1.0408749672581503
Energy: 1.056552959265146
Energy: 1.0709570844188339
Energy: 0.9636427999179487
Energy: 0.9645094613288342
Energy: 0.9636427999179487
Energy: 0.9953721018084721
Energy: 1.056265557624777
Energy: 0.9549060721857897
Energy: 1.0562655576259636
Energy: 1.0536633810922844
Energy: 1.15337533349742
Energy: 1.0779786557838742
Energy: 1.1533753334962331
Energy: 1.0571572255708057
Energy: 1.0540035407132033
Energy: 0.9635450899634342
Energy: 1.0540035407120165
Energy: 0.9991567100519103
Energy: 1.1325540405060277
Energy: 0.9941603608295082
Energy: 1.1325540405072143
Energy: 1.0710448989216286
Energy: 1.1033871619722537
Energy: 0.9632831976208327
Energy: 1.1033871619734406
Energy: 0.9315314535334153
Energy: 1.0579075119108858
Energy: 0.9315981275301961
Energy: 1.0579075119120729
Energy: 1.0046033354422697
Energy: 1.0555859428380863
Energy: 1.0664114679167238
Energy: 1.0555859428368994
Energy: 0.9315286831274899
Energy: 1.0580322645100975
Energy: 0.9955998893533782
Energy: 1.0580322645112843
Energy: 1.0712292530564966
Energy: 1.1034042892999438
Energy: 0.9632830588448159
Energy: 1.1034042892975704
Energy: 0.9991896501705683
Energy: 1.132539525425799
Energy: 0.9937497495960614
Energy: 1.132539525425799
Energy: 1.0571482961841783
Energy: 1.0539979183568982
Energy: 0.9635295739479601
Energy: 1.0539979183568982
Energy: 1.053676273679039
Energy: 1.1532446939221648
Energy: 1.0228183000303954
Energy: 1.1532446939197907
Energy: 0.9953494440933435
Energy: 1.0563424681812437
Energy: 0.9548170045538089
Energy: 1.0563424681824305
Energy: 1.07097908790504
Energy: 0.9635945452592507
Energy: 0.9645243111333148
Energy: 0.963594545258064

minimum gb energy = 0.9315286831274899 eV
minimum distance =  2.34415430277762 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.0073205517059776
Energy: 1.1585288433356695
Energy: 1.056241939877119
Energy: 1.1585288433356695
Energy: 0.9927323047279912
Energy: 1.1453309586770712
Energy: 0.9800404234124047
Energy: 1.1453309586770712
Energy: 0.9805966053888034
Energy: 1.2436882715410515
Energy: 0.9798282475969601
Energy: 1.2436882715410515
Energy: 1.0048410590042476
Energy: 1.2310696056678718
Energy: 1.071371515690587
Energy: 1.231069605666404
Energy: 1.0702044536400706
Energy: 0.9924134369843124
Energy: 1.0654501839003077
Energy: 0.9924134369843124
Energy: 0.9798851444240674
Energy: 1.2417349036755347
Energy: 0.9813292082808305
Energy: 1.2417349036770022
Energy: 1.0785002906531695
Energy: 1.1427801175186598
Energy: 0.9805238530937374
Energy: 1.142780117517192
Energy: 1.0575475281201925
Energy: 1.0828456624323386
Energy: 1.0044193642797674
Energy: 1.0828456624323386
Energy: 0.9798206674474665
Energy: 1.0786969837033267
Energy: 0.9927395832167726
Energy: 1.0786969837033267
Energy: 1.1018967243461153
Energy: 1.1589676441756398
Energy: 0.980660721638936
Energy: 1.1589676441756398
Energy: 1.027918477740855
Energy: 1.2587077686712211
Energy: 1.146420091747546
Energy: 1.2587077686712211
Energy: 0.9801634274612808
Energy: 1.0863034080535208
Energy: 1.102792998047839
Energy: 1.086303408052053
Energy: 1.0564266834706062
Energy: 1.1682533993490873
Energy: 0.9801619962134666
Energy: 1.1682533993490873
Energy: 0.9800294764823632
Energy: 0.9800834813799901
Energy: 1.005039250293432
Energy: 0.9800834813799901
Energy: 1.1581309373846589
Energy: 1.1591747910030405
Energy: 1.0578968208534323
Energy: 1.1591747910045083
Energy: 0.9920691575767812
Energy: 1.1681735670799562
Energy: 0.9799277695199442
Energy: 1.1681735670799562
Energy: 0.9803561614805065
Energy: 1.0756790906317717
Energy: 1.1019498241632633
Energy: 1.0756790906317717

minimum gb energy = 0.9798206674474665 eV
minimum distance =  2.33219283339941 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.1300193427080858
Energy: 1.1283668153139887
Energy: 1.1940796254674457
Energy: 1.1283668153148203
Energy: 1.1375663387286645
Energy: 1.1434008102683606
Energy: 1.02384434028794
Energy: 1.1434008102700233
Energy: 1.0999991434646226
Energy: 1.124347496989089
Energy: 1.023739450935182
Energy: 1.1243474969882579
Energy: 1.0254574018773581
Energy: 1.1844937703713312
Energy: 1.1108618185765862
Energy: 1.1844937703721623
Energy: 1.1299590110424615
Energy: 1.2278698751238204
Energy: 1.0488932777258186
Energy: 1.2278698751238204
Energy: 1.0364516158676598
Energy: 1.132254195058301
Energy: 1.0916091263868066
Energy: 1.132254195059132
Energy: 1.0254244842218372
Energy: 1.145684171257066
Energy: 1.0862207146578113
Energy: 1.145684171256235
Energy: 1.0912559869916163
Energy: 1.1334948945479781
Energy: 1.0332934949631312
Energy: 1.133494894547147
Energy: 1.0339955920123771
Energy: 1.271879511431437
Energy: 1.1230307477648565
Energy: 1.2718795114306056
Energy: 1.1734074656077256
Energy: 1.0972194828774902
Energy: 1.024299110596695
Energy: 1.0972194828774902
Energy: 1.0283181354072402
Energy: 1.147804405473536
Energy: 1.1016989365223029
Energy: 1.1478044054743672
Energy: 1.0341723343788114
Energy: 1.1436154130066136
Energy: 1.0343409661142084
Energy: 1.1436154130049514
Energy: 1.1882849223306509
Energy: 1.1287585708754575
Energy: 1.1303518851942238
Energy: 1.1287585708771202
Energy: 1.023760958902655
Energy: 1.2797018703859084
Energy: 1.1129241315324605
Energy: 1.2797018703842458
Energy: 1.0878001915165219
Energy: 1.146628958127942
Energy: 1.0355346555876865
Energy: 1.146628958127942
Energy: 1.0991245850692086
Energy: 1.1327819158517234
Energy: 1.0910598711860975
Energy: 1.132781915853386
Energy: 1.0865299787437923
Energy: 1.1873121416429329
Energy: 1.2015864892320411
Energy: 1.1873121416412702
Energy: 1.097042445799797
Energy: 1.1244278086154313
Energy: 1.0364441916592573
Energy: 1.1244278086137687
Energy: 1.1283427917956115
Energy: 1.1877031615026024
Energy: 1.073910567288512
Energy: 1.1877031615026024
Energy: 1.0885301475456761
Energy: 1.190101232372975
Energy: 1.025934108612187
Energy: 1.1901012323738063
Energy: 1.0589006437617188
Energy: 1.124440651283975
Energy: 1.0995809030261785
Energy: 1.1244406512848062
Energy: 1.0865032778767725
Energy: 1.1832312980585749
Energy: 1.1735377250301327
Energy: 1.1832312980577813
Energy: 1.10887869157524
Energy: 1.1481651461128777
Energy: 1.0240615310446408
Energy: 1.1481651461128777
Energy: 1.0948433510646352
Energy: 1.144746473955863
Energy: 1.100717610913496
Energy: 1.1447464739550315
Energy: 1.1343698148578711
Energy: 1.124436318913729
Energy: 1.1321876196278784
Energy: 1.124436318913729
Energy: 1.1599443606568878
Energy: 1.2754590116003963
Energy: 1.0252114103098011
Energy: 1.2754590115987336
Energy: 1.0487857409389043
Energy: 1.160983534911835
Energy: 1.196001066154881
Energy: 1.160983534911835
Energy: 1.0917768223199116
Energy: 1.1322293383722215
Energy: 1.1001648166861917
Energy: 1.1322293383722215
Energy: 1.2021072210950243
Energy: 1.1889852437376411
Energy: 1.0257878834330152
Energy: 1.1889852437368098
Energy: 1.0335171981951852
Energy: 1.1868377324056298
Energy: 1.098479654260368
Energy: 1.1868377324056298

minimum gb energy = 1.023739450935182 eV
minimum distance =  2.20163668371475 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.9958855547659531
Energy: 0.994691297560699
Energy: 1.1010055831672063
Energy: 0.9946912975645265
Energy: 1.1378832451232996
Energy: 1.1071515155005938
Energy: 1.060185245905545
Energy: 1.1071515155025078
Energy: 0.9959865133917338
Energy: 0.9945358584946181
Energy: 1.1005193465878778
Energy: 0.9945358584965319
Energy: 0.996078797939559
Energy: 0.9944960506948091
Energy: 1.041724559271679
Energy: 0.9944960506928954
Energy: 1.1380334673954153
Energy: 1.1071091261880088
Energy: 1.0771950455057766
Energy: 1.1071091261899224
Energy: 0.9958855547659531
Energy: 0.994691297560699
Energy: 1.1612683773931565
Energy: 0.9946912975663967
Energy: 1.1378832451213858
Energy: 1.1071515155005938
Energy: 1.0998894392093523
Energy: 1.1071515155005938
Energy: 0.995986530481787
Energy: 0.9945358584965319
Energy: 1.1005193465821363
Energy: 0.9945358584965319
Energy: 0.9960787980007562
Energy: 0.9944960506948091
Energy: 1.0594743345891637
Energy: 0.9944960506910251
Energy: 1.1380334673973294
Energy: 1.1071091261860948
Energy: 1.0991827451726575
Energy: 1.1071091261880088
Energy: 0.9958855547659531
Energy: 0.994691297560699
Energy: 1.1892381686243143
Energy: 0.9946912975645265
Energy: 1.1378832451213858
Energy: 1.1071515154986804
Energy: 1.0998904808652814
Energy: 1.1071515155005938
Energy: 0.995986529022233
Energy: 0.9945358584946181
Energy: 1.100519346585964
Energy: 0.9945358584965319

minimum gb energy = 0.9944960506910251 eV
minimum distance =  2.31557159122614 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.0893079282700986
Energy: 1.2066224226985316
Energy: 1.2840206272606025
Energy: 1.2066224226992397
Energy: 1.1716561616564556
Energy: 1.1308738780758751
Energy: 1.0820729421239323
Energy: 1.1308738780765835
Energy: 1.0603148236112585
Energy: 1.077322391379094
Energy: 1.0733331558329025
Energy: 1.077322391379094
Energy: 1.1374143669758332
Energy: 1.262227854044928
Energy: 1.0644820493864096
Energy: 1.2622278540435115
Energy: 1.1593597820441406
Energy: 1.1391289687554578
Energy: 1.0763636884294092
Energy: 1.139128968754041
Energy: 1.0792839889544974
Energy: 1.0777926578966022
Energy: 1.134349087321664
Energy: 1.0777926578944772
Energy: 1.2741730033647591
Energy: 1.1353783096427472
Energy: 1.0823881669392499
Energy: 1.135378309645548
Energy: 1.0671757678401805
Energy: 1.2621670058668788
Energy: 1.1516298642859903
Energy: 1.2621670058654624
Energy: 1.0629699980007878
Energy: 1.2692621170942617
Energy: 1.0832441457150066
Energy: 1.2692621170949703
Energy: 1.0618213437851527
Energy: 1.1279041951072806
Energy: 1.0832008010791625
Energy: 1.1279041951072806
Energy: 1.069047848586426
Energy: 1.2624838572092838
Energy: 1.256063713914826
Energy: 1.2624838572071588
Energy: 1.163093045695096
Energy: 1.2062538017412796
Energy: 1.0650099921066745
Energy: 1.2062538017349047
Energy: 1.0629447761284894
Energy: 1.2201479402747628
Energy: 1.2124241992077065
Energy: 1.2201479402747628
Energy: 1.1422421068940753
Energy: 1.208838356683148
Energy: 1.0907596227979226
Energy: 1.208838356683148
Energy: 1.0849930098402636
Energy: 1.1943949736042265
Energy: 1.1473107165978031
Energy: 1.1943949736035184
Energy: 1.065500302802531
Energy: 1.2687729073737106
Energy: 1.139126470457964
Energy: 1.268772907374419
Energy: 1.1184796070871945
Energy: 1.1947103980368707
Energy: 1.0847624638170805
Energy: 1.194710398037579
Energy: 1.0712080356601008
Energy: 1.1361862108098106
Energy: 1.1830581211241369
Energy: 1.1361862108098106
Energy: 1.2084897173663924
Energy: 1.146124085117387
Energy: 1.081197395292341
Energy: 1.146124085117387
Energy: 1.0791904171655171
Energy: 1.1380370120009173
Energy: 1.1286598409704711
Energy: 1.1380370119966676
Energy: 1.1363970581778298
Energy: 1.2615604841449621
Energy: 1.139402390186126
Energy: 1.2615604841435457
Energy: 1.128284344740926
Energy: 1.172503494466571
Energy: 1.061555235779806
Energy: 1.1725034944651542
Energy: 1.0835833686346827
Energy: 1.2001828644695407
Energy: 1.0626625234784157
Energy: 1.200182864465999
Energy: 1.2862726086406162
Energy: 1.1362819287400554
Energy: 1.0669495457003966
Energy: 1.1362819287414723
Energy: 1.0821929323421786
Energy: 1.2209417843689285
Energy: 1.2307712232702048
Energy: 1.2209417843682204
Energy: 1.0976861670642395
Energy: 1.1509133385991788
Energy: 1.0609535146570834
Energy: 1.1509133386005952
Energy: 1.111435388818242
Energy: 1.1978575770633544
Energy: 1.13689847737278
Energy: 1.197857577064063
Energy: 1.085889321380086
Energy: 1.264857423183849
Energy: 1.137320365840311
Energy: 1.2648574231817242
Energy: 1.1085605276289208
Energy: 1.1515318299012387
Energy: 1.0601630789904262
Energy: 1.1515318299019468
Energy: 1.0820970025949554
Energy: 1.264959439652057
Energy: 1.2306871253192606
Energy: 1.2649594396527652
Energy: 1.2246783845872693
Energy: 1.1367106188868892
Energy: 1.0661229687920588
Energy: 1.1367106188875975
Energy: 1.0787952747259975
Energy: 1.1377668542969417
Energy: 1.0609684003121105
Energy: 1.1377668542962334
Energy: 1.0822255854540843
Energy: 1.201845065279908
Energy: 1.0605370450656086
Energy: 1.2018450652813246
Energy: 1.1362875663967587
Energy: 1.2611676068656485
Energy: 1.1370518836270678
Energy: 1.2611676068649402
Energy: 1.0781769239595536
Energy: 1.2292077007620505
Energy: 1.2735969792519979
Energy: 1.2292077007627589

minimum gb energy = 1.0601630789904262 eV
minimum distance =  2.22540469623958 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.1477004990040138
Energy: 1.1434213332015437
Energy: 1.2446083160983095
Energy: 1.14342133320042
Energy: 1.1266024328693327
Energy: 1.2501107419105637
Energy: 1.0901846309843193
Energy: 1.2501107419083164
Energy: 1.0717002858636544
Energy: 1.1479083002929513
Energy: 1.085858031132014
Energy: 1.1479083002907036
Energy: 1.0585532084929523
Energy: 1.2317198922009003
Energy: 1.0821734035073438
Energy: 1.2317198921986527
Energy: 1.1023175364157327
Energy: 1.1709322780740044
Energy: 1.097922241332036
Energy: 1.1709322780740044
Energy: 1.0822336746362244
Energy: 1.1061057441530349
Energy: 1.183961255646141
Energy: 1.1061057441541586
Energy: 1.2636154587262793
Energy: 1.2254337932374597
Energy: 1.0700208160511042
Energy: 1.2254337932374597
Energy: 1.0671302320971259
Energy: 1.0828344004724817
Energy: 1.2113104345511319
Energy: 1.082834400471358
Energy: 1.2222873971116435
Energy: 1.0842544750618015
Energy: 1.0825559921487695
Energy: 1.0842544750629253
Energy: 1.0901256210343309
Energy: 1.157619942628008
Energy: 1.0900510527964462
Energy: 1.1576199426291318
Energy: 1.0655659304253053
Energy: 1.147481241685933
Energy: 1.1879569052473575
Energy: 1.147481241685933
Energy: 1.1695858131396464
Energy: 1.2134065999170613
Energy: 1.058572962295475
Energy: 1.2134065999170613
Energy: 1.082136486351522
Energy: 1.1660127272240564
Energy: 1.2601511047881524
Energy: 1.1660127272251801
Energy: 1.2261319001823705
Energy: 1.224736105809567
Energy: 1.0824055885238202
Energy: 1.224736105810691
Energy: 1.0913540435382973
Energy: 1.2337932995904608
Energy: 1.1982986139018084
Energy: 1.2337932995904608
Energy: 1.1876911366683758
Energy: 1.1899042454763533
Energy: 1.0671519339270805
Energy: 1.1899042454763533
Energy: 1.1407070096807792
Energy: 1.1396869703502392
Energy: 1.071572772789749
Energy: 1.139686970351363
Energy: 1.1462875890201119
Energy: 1.1444428289190007
Energy: 1.071629558331987
Energy: 1.144442828917877
Energy: 1.0812474498001965
Energy: 1.1482841310049785
Energy: 1.0662834205655547
Energy: 1.1482841310049785
Energy: 1.0904438435895312
Energy: 1.3278813245278924
Energy: 1.2433822550529576
Energy: 1.32788132453014
Energy: 1.2213298796007623
Energy: 1.0805487900507182
Energy: 1.0832061312082535
Energy: 1.0805487900529658
Energy: 1.0961415673583572
Energy: 1.1708149462020254
Energy: 1.1822133734699092
Energy: 1.1708149462009017

minimum gb energy = 1.0585532084929523 eV
minimum distance =  2.24090930329394 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.108064269022237
Energy: 1.1058145151495071
Energy: 1.2972609985817598
Energy: 1.1058145151518912
Energy: 1.2372190008063755
Energy: 1.0997862519278878
Energy: 1.0886939752279345
Energy: 1.099786251931861
Energy: 1.0717506871842521
Energy: 1.2251773211009704
Energy: 1.097270954566922
Energy: 1.2251773211033545
Energy: 1.0879721967875322
Energy: 1.177910641152291
Energy: 1.0960519497493726
Energy: 1.1779106411499072
Energy: 1.072400465189298
Energy: 1.1548292832952056
Energy: 1.1042347657585265
Energy: 1.1548292832960005
Energy: 1.0747212518643805
Energy: 1.1933402527390065
Energy: 1.204563421421602
Energy: 1.1933402527382122
Energy: 1.179626391739823
Energy: 1.219223111762218
Energy: 1.0934333277229638
Energy: 1.2192231117502983
Energy: 1.0745282400188914
Energy: 1.1961578850761316
Energy: 1.2665636214199285
Energy: 1.1961578850769263
Energy: 1.1967052179940336
Energy: 1.1684223752355252
Energy: 1.0839497824658915
Energy: 1.1684223752442664
Energy: 1.080773245573036
Energy: 1.1722811984975046
Energy: 1.1535645587143544
Energy: 1.1722811984863795
Energy: 1.0843516183541957
Energy: 1.2487262500086833
Energy: 1.0911673090721001
Energy: 1.2487262500102725
Energy: 1.111817780340483
Energy: 1.1546142418980372
Energy: 1.0881300374951681
Energy: 1.1546142418980372
Energy: 1.105311603162147
Energy: 1.1076550747355072
Energy: 1.0904082033655584
Energy: 1.1076550747331229
Energy: 1.0974766342691136
Energy: 1.1008827031704975
Energy: 1.0876512743405873
Energy: 1.10088270317606
Energy: 1.0793509481900911
Energy: 1.2376861249136577
Energy: 1.1779195679315249
Energy: 1.237686124915247
Energy: 1.2980474370103388
Energy: 1.1002435942072466
Energy: 1.0825858823708046
Energy: 1.1002435942024789
Energy: 1.087984941328333
Energy: 1.1678255808176539
Energy: 1.123286601612886
Energy: 1.1678255808192433
Energy: 1.093155191478495
Energy: 1.2260510195085095
Energy: 1.0879654137778667
Energy: 1.226051019513277
Energy: 1.0705594279083441
Energy: 1.1900645308729474
Energy: 1.090890927753623
Energy: 1.190064530871358
Energy: 1.08060192261158
Energy: 1.154473206513963
Energy: 1.0884361520694066
Energy: 1.1544732065131682
Energy: 1.0845448831236957
Energy: 1.2484575612313369
Energy: 1.085654145184001
Energy: 1.2484575612305424
Energy: 1.0744051158616663
Energy: 1.2255533488485406
Energy: 1.164251498703444
Energy: 1.2255533488517192
Energy: 1.2290633138924283
Energy: 1.1680572472475994
Energy: 1.085898166660605
Energy: 1.1680572472444206
Energy: 1.11152703156922
Energy: 1.1068904980029717
Energy: 1.2048193019693545
Energy: 1.1068904980101235
Energy: 1.106463915327495
Energy: 1.1548821683115698
Energy: 1.087058124300088
Energy: 1.1548821683123647
Energy: 1.0872851278810365
Energy: 1.245953482587542
Energy: 1.086614299581524
Energy: 1.2459534825907208
Energy: 1.0722656621354376
Energy: 1.172285291608929
Energy: 1.0866539544260028
Energy: 1.1722852916144917
Energy: 1.0876361846904987
Energy: 1.1676347591482668
Energy: 1.0967692338290997
Energy: 1.1676347591554186
Energy: 1.0710496883594463
Energy: 1.1946117018338027
Energy: 1.150833782328626
Energy: 1.1946117018314188
Energy: 1.2675607120819623
Energy: 1.100197981016517
Energy: 1.0886116377969135
Energy: 1.1001979810196956
Energy: 1.0710560401805285
Energy: 1.1944469131656714
Energy: 1.2229045635907116
Energy: 1.1944469131656714

minimum gb energy = 1.0705594279083441 eV
minimum distance =  2.22237259232848 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.0561299275909137
Energy: 1.0415976054967093
Energy: 1.033094432652805
Energy: 1.0415976054967093
Energy: 1.0271365701725819
Energy: 1.0484926626839346
Energy: 1.046972746956958
Energy: 1.048492662688794
Energy: 1.0181802375081348
Energy: 1.1134020818577035
Energy: 1.1197314563620555
Energy: 1.1134020818585033
Energy: 1.0467442691347413
Energy: 1.0180473185262462
Energy: 1.0471204071182467
Energy: 1.0180473185256926
Energy: 1.0562855757875274
Energy: 1.0966523487211959
Energy: 1.1207941826720622
Energy: 1.0966523487217497
Energy: 1.0204837412143313
Energy: 1.1185950756474519
Energy: 1.0204623588628041
Energy: 1.1185950756485286
Energy: 1.0185393637560032
Energy: 1.096778370581958
Energy: 1.0562568818502907
Energy: 1.0967783705822038
Energy: 1.0472334869316793
Energy: 1.0175157064196618
Energy: 1.0469828863539323
Energy: 1.0175157064204614
Energy: 1.119700864959397
Energy: 1.1133981427490665
Energy: 1.0258290809060795
Energy: 1.1133981427490665

minimum gb energy = 1.0175157064196618 eV
minimum distance =  2.28746947108374 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.9962207136158827
Energy: 1.0094445375006562
Energy: 1.1353185386374305
Energy: 1.009444537501407
Energy: 1.1393757036541832
Energy: 1.062739401324174
Energy: 0.9715571798557276
Energy: 1.062739401324174
Energy: 0.9746589353353121
Energy: 1.0048248613854183
Energy: 1.1360217091752847
Energy: 1.0048248613861688
Energy: 0.9712483723296066
Energy: 1.0562263778156211
Energy: 0.9798508995218989
Energy: 1.0562263778163719
Energy: 0.9846589366451669
Energy: 1.0581487282187947
Energy: 1.1122274025488523
Energy: 1.058148728220296
Energy: 1.0115571022611827
Energy: 1.107108628549683
Energy: 0.9712106789627727
Energy: 1.107108628548932
Energy: 0.9747429770440179
Energy: 1.0580400718490124
Energy: 0.9786625433409137
Energy: 1.0580400718505136
Energy: 0.974052098823394
Energy: 1.0122745497886625
Energy: 0.9769118354974365
Energy: 1.0122745497871612
Energy: 0.9852465062017555
Energy: 1.0550290415441779
Energy: 0.9752929876483312
Energy: 1.0550290415426764
Energy: 0.9843472089861469
Energy: 1.0593815564843958
Energy: 0.9733126331037518
Energy: 1.0593815564858973
Energy: 1.0114891521166192
Energy: 1.0556171363807718
Energy: 0.9763129645287155
Energy: 1.0556171363807718
Energy: 0.9755802494588364
Energy: 1.0695263641239572
Energy: 1.0121075351220556
Energy: 1.0695263641217052
Energy: 1.010461126431071
Energy: 1.0105961178964773
Energy: 1.001525217004862
Energy: 1.010596117897228
Energy: 0.98556820928693
Energy: 1.009217998550836
Energy: 0.9782820334851469
Energy: 1.0092179985493346
Energy: 0.9957951787839341
Energy: 0.9749424675044016
Energy: 0.9760247110084238
Energy: 0.974942467503651
Energy: 0.9773610312748475
Energy: 1.0049910658120076
Energy: 0.9944915994968205
Energy: 1.0049910658112569
Energy: 1.1385894866127417
Energy: 0.9954217551335575
Energy: 0.9796544627183356
Energy: 0.9954217551320561
Energy: 0.9861670842923328
Energy: 1.1065262171265022
Energy: 1.07758638188781
Energy: 1.1065262171272525
Energy: 0.9738897222608304
Energy: 1.0607442650012373
Energy: 0.9730721176208178
Energy: 1.060744265001988
Energy: 0.9751932853396988
Energy: 1.0937064750984231
Energy: 0.9950437064352647
Energy: 1.0937064750999244
Energy: 0.9737817488827192
Energy: 1.055902467236316
Energy: 0.98237330221932
Energy: 1.055902467236316
Energy: 0.9856921195275941
Energy: 1.0579664363571761
Energy: 0.9869448103288484
Energy: 1.0579664363579266
Energy: 0.9713653617682415
Energy: 1.011214914565666
Energy: 0.9726610118239021
Energy: 1.0112149145641647
Energy: 1.010418753929946
Energy: 1.0111068768612577
Energy: 0.9752658705721226
Energy: 1.0111068768620082
Energy: 1.0155789883160788
Energy: 1.001393648852289
Energy: 0.9714724788736704
Energy: 1.0013936488537563
Energy: 0.9961925684366303
Energy: 1.0096708638023677
Energy: 0.9853772760637525
Energy: 1.0096708638001157
Energy: 0.9736354355564882
Energy: 1.0486776665027384
Energy: 0.9959391771885359
Energy: 1.0486776665027384
Energy: 1.0230160322917992
Energy: 1.2368148967746504
Energy: 0.9773441914779092
Energy: 1.236814897293856
Energy: 0.9763797275314345
Energy: 0.9844182289561284
Energy: 1.1386973010540709
Energy: 0.9844182289553779
Energy: 1.0878095029249362
Energy: 1.107725419784459
Energy: 0.9861028308717089
Energy: 1.107725419784459
Energy: 0.9749470335514872
Energy: 0.9888156182667165
Energy: 1.087970351784779
Energy: 0.9888156182659659
Energy: 1.1142183231738536
Energy: 1.0375329748264057
Energy: 0.9757025546382735
Energy: 1.037532974827907
Energy: 0.9784701484250714
Energy: 1.0547886638265673
Energy: 0.9725226129848704
Energy: 1.0547886638753248

minimum gb energy = 0.9712106789627727 eV
minimum distance =  2.23775919999914 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.9591142269761329
Energy: 0.9575547738567114
Energy: 0.960081556617073
Energy: 0.9575547738598251
Energy: 0.9590368948462339
Energy: 0.9715711776064473
Energy: 0.9246667088199284
Energy: 0.9715711776054095
Energy: 0.9140409910819187
Energy: 0.95741686581201
Energy: 1.2644275412080552
Energy: 0.9574168658099578
Energy: 0.935696371057533
Energy: 1.0237335292635195
Energy: 0.9266142081800695
Energy: 1.0237335292635195
Energy: 0.9146471651487593
Energy: 1.0459552686217282
Energy: 1.104681584071167
Energy: 1.0459552686217282
Energy: 0.9157482081608961
Energy: 0.958571771432188
Energy: 0.9265331495042709
Energy: 0.9585717714353016
Energy: 0.9144442570406849
Energy: 1.0466674313570707
Energy: 0.9396148377312831
Energy: 1.0466674313570707
Energy: 0.9145151961852769
Energy: 0.9620701192040964
Energy: 0.9666574814318162
Energy: 0.962070119199945
Energy: 0.9566245937697876
Energy: 0.9572747103423218
Energy: 0.9398791939496789
Energy: 0.9572747103402462
Energy: 0.9566158977955187
Energy: 0.9571725186068208
Energy: 0.961682126254655
Energy: 0.9571725186078587
Energy: 0.9145449655153352
Energy: 0.9622053449228708
Energy: 0.9397823824575082
Energy: 0.9622053449207951
Energy: 0.9144062072454953
Energy: 1.0466588646555366
Energy: 0.9718515997237815
Energy: 1.046658864660726
Energy: 0.9157596277205646
Energy: 0.9587089270074274
Energy: 0.926470751232415
Energy: 0.9587089270053516
Energy: 0.9145543894903019
Energy: 1.0459863817098698
Energy: 1.064217281961235
Energy: 1.0459863817088315
Energy: 0.9356217087160451
Energy: 1.0237303997164386
Energy: 0.9265566216925089
Energy: 1.0237303997164386
Energy: 0.9140373854389696
Energy: 0.9572768688183739
Energy: 1.1843822881198218
Energy: 0.9572768688225255
Energy: 0.9593626077725379
Energy: 0.9715246058124116
Energy: 0.9247044736962426
Energy: 0.971524605809298
Energy: 0.9591142269750951
Energy: 0.9575547738556736
Energy: 0.9749373584855258
Energy: 0.9575547738598251
Energy: 0.9590368778324506
Energy: 0.9715711776074853
Energy: 0.9246667088188907
Energy: 0.9715711776064473
Energy: 0.9140409910829567
Energy: 0.9574168658109722
Energy: 1.2644275412080552
Energy: 0.9574168658099578
Energy: 0.9356963710595853
Energy: 1.0237335292635195
Energy: 0.9266142081800695
Energy: 1.0237335292635195
Energy: 0.9146471651466834
Energy: 1.0459552686217282
Energy: 1.1046815840722048
Energy: 1.0459552686217282
Energy: 0.9157482081608961
Energy: 0.958571771432188
Energy: 0.9265331495063467
Energy: 0.9585717714353016
Energy: 0.9144442570406849
Energy: 1.0466674313570707
Energy: 0.939614837732321
Energy: 1.0466674313570707

minimum gb energy = 0.9140373854389696 eV
minimum distance =  2.26101700113194 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.9407254710236103
Energy: 0.9391802001679846
Energy: 1.1389203711596172
Energy: 0.9391802001679846
Energy: 1.0869393625720603
Energy: 0.930503409402748
Energy: 0.9158423210014696
Energy: 0.9305034094033894
Energy: 0.918209966989347
Energy: 1.0205011552329721
Energy: 1.134603032148581
Energy: 1.0205011552329721
Energy: 0.951353496116954
Energy: 0.9083113383411954
Energy: 0.911781593568927
Energy: 0.9083113383424782
Energy: 0.9124115998817599
Energy: 0.99849560034474
Energy: 1.1371303654213636
Energy: 0.9984956003440986
Energy: 0.9046567037824846
Energy: 1.0485302979948712
Energy: 0.9239938232631828
Energy: 1.0485302979935882
Energy: 0.9220000864865233
Energy: 0.9867055083405581
Energy: 0.9306014320588625
Energy: 0.9867055083405581
Energy: 0.9043617799668193
Energy: 0.9801363928093432
Energy: 0.906117932628019
Energy: 0.9801363928080601
Energy: 0.9395515308937628
Energy: 0.9777178713358831
Energy: 0.9328658773458052
Energy: 0.9777178713390906
Energy: 0.9426733435539147
Energy: 0.9788011637033561
Energy: 0.9182016901605627
Energy: 0.9788011637014317
Energy: 0.9157984499348075
Energy: 0.9624970431359334
Energy: 0.9158873982371143
Energy: 0.962497043139141
Energy: 0.918590345204489
Energy: 0.9810819466837051
Energy: 0.9118127899041847
Energy: 0.9810819466830637
Energy: 0.9042930252641901
Energy: 0.9725669117977067
Energy: 0.9103837369606064
Energy: 0.9725669117951408
Energy: 0.9106430014137181
Energy: 0.9976416002830011
Energy: 0.9383559437161172
Energy: 0.997641600280435
Energy: 0.9049734210255707
Energy: 0.913210032586012
Energy: 0.9475491963014042
Energy: 0.913210032586012
Energy: 0.9162439462414141
Energy: 0.9310494625226386
Energy: 1.1336600669399859
Energy: 0.9310494625239216
Energy: 0.9306078620567847
Energy: 0.9135577166763255
Energy: 0.9226106738820962
Energy: 0.9135577166776085
Energy: 0.9088578919135537
Energy: 1.0286123693591716
Energy: 0.9178996166591185
Energy: 1.0286123693566054
Energy: 1.0390294851966357
Energy: 1.1124580511033118
Energy: 0.9155049419926738
Energy: 1.112458047757496
Energy: 0.921239898202112
Energy: 0.9309154598846195
Energy: 1.0714780654332199
Energy: 0.9309154598865441
Energy: 1.0603964239090635
Energy: 0.9241544001720435
Energy: 0.9101508495477582
Energy: 0.9241544001714022
Energy: 0.909384160172551
Energy: 0.9818532366273999
Energy: 0.9134434872087889
Energy: 0.9818532366254754
Energy: 0.9386236613636627
Energy: 0.9187142949417493
Energy: 0.9221184559726032
Energy: 0.9187142949423908
Energy: 0.9156685745934513
Energy: 0.9876153837651432
Energy: 1.0456916441175397
Energy: 0.9876153837638602
Energy: 0.9319675649809565
Energy: 1.0287572396779054
Energy: 0.9100108392295214
Energy: 1.028757239673415
Energy: 0.9094715098409409
Energy: 0.999561686556385
Energy: 0.926682077177087
Energy: 0.999561686556385
Energy: 1.0425146231816134
Energy: 0.9739087826623384
Energy: 0.9169407055700565
Energy: 0.9739087826623384
Energy: 0.9461830251690563
Energy: 1.132733408926447
Energy: 0.9168359230809205
Energy: 1.1327334089283716
Energy: 0.9383635369721103
Energy: 0.9973254011558322
Energy: 0.91318665084823
Energy: 0.9973254011583981
Energy: 0.9095210757300024
Energy: 0.9723004059992516
Energy: 0.9561748132153025
Energy: 0.97230040599861
Energy: 0.9198193366413524
Energy: 0.9976285056654579
Energy: 0.9170985160068731
Energy: 0.9976285056628919
Energy: 0.9170765532016312
Energy: 0.963210022850661
Energy: 0.9133339169904015
Energy: 0.9632100228493782
Energy: 0.9169433145682508
Energy: 0.9784296850579539
Energy: 1.0605333982952458
Energy: 0.9784296850598785
Energy: 0.956315760371103
Energy: 1.1437462237890794
Energy: 0.923787363291339
Energy: 1.1437462237890794
Energy: 0.9147972533934653
Energy: 1.0291786578512858
Energy: 0.9406689224854761
Energy: 1.0291786578493614
Energy: 0.9308170264483019
Energy: 0.9878944699808063
Energy: 0.9128662258143868
Energy: 0.9878944699801648
Energy: 0.9221853260999021
Energy: 1.3110214606715793
Energy: 0.9051672223706215
Energy: 1.3110214606715793
Energy: 0.9255598980054742
Energy: 0.9997421267110279
Energy: 0.9097666936966972
Energy: 0.999742126709745

minimum gb energy = 0.9042930252641901 eV
minimum distance =  2.24896140476282 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.8260044997589678
Energy: 0.825553451218483
Energy: 0.8485369923597551
Energy: 0.8255534512201617
Energy: 0.8255398628410048
Energy: 0.8493354356956342
Energy: 0.8359636098946369
Energy: 0.8493354356961302
Energy: 0.8343953499784342
Energy: 0.9671559922840837
Energy: 1.1778056594797996
Energy: 0.9671559922849229
Energy: 0.8235324656350611
Energy: 0.8494049063043949
Energy: 0.8358266256250655
Energy: 0.8494049063054059
Energy: 0.833494589841489
Energy: 0.9128920234210431
Energy: 1.3201608543338672
Energy: 0.9128920234193648
Energy: 0.8336083810809878
Energy: 0.8264643283468466
Energy: 0.82847743374294
Energy: 0.8264643283485251
Energy: 0.8343668793034517
Energy: 0.9672923694708961
Energy: 0.8254251778548538
Energy: 0.9672923694692177
Energy: 0.8378725822969921
Energy: 0.8827072325973485
Energy: 0.8360337966513263
Energy: 0.8827072325975202
Energy: 0.8336451228971805
Energy: 0.9133415338645863
Energy: 0.8240091388797804
Energy: 0.9133415338662647
Energy: 0.848497655448039
Energy: 0.8252982725657722
Energy: 0.8335709299120698
Energy: 0.8252982725657722
Energy: 0.824900044719772
Energy: 0.8501484033057799
Energy: 0.8338238953964058
Energy: 0.850148403304769
Energy: 0.8249680220477752
Energy: 0.9674582192264382
Energy: 0.8360739612175008
Energy: 0.9674582192260948
Energy: 0.8334885862711183
Energy: 0.8291568466120675
Energy: 0.8239776909725252
Energy: 0.8291568466120675
Energy: 0.8335666058722947
Energy: 0.9131569931134409
Energy: 0.833664376253182
Energy: 0.9131569931134409
Energy: 0.8358277051105709
Energy: 0.8290896918273571
Energy: 0.833737380564706
Energy: 0.8290896918273571

minimum gb energy = 0.8235324656350611 eV
minimum distance =  2.29387879927648 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.8104723524292226
Energy: 1.0469150379436494
Energy: 0.7917523357240253
Energy: 1.0469150379492775
Energy: 0.9279781344038708
Energy: 1.0590481567458165
Energy: 0.7831815256840869
Energy: 1.0590481567472234
Energy: 0.7894756453477022
Energy: 0.9167224063561326
Energy: 1.1736388028939253
Energy: 0.9167224063462832
Energy: 0.7920432711055594
Energy: 1.0607279575666828
Energy: 0.7818964765138782
Energy: 1.060727957573718
Energy: 0.7929171323880935
Energy: 0.9775962375024831
Energy: 0.9645740555548364
Energy: 0.9775962375116288
Energy: 0.7799499606567237
Energy: 0.934523840225801
Energy: 0.7946202238913319
Energy: 0.9345238402180623
Energy: 0.7927774710236153
Energy: 0.978723327523426
Energy: 1.0345420627968123
Energy: 0.9787233275241294
Energy: 0.7775696870635017
Energy: 0.9303558785023386
Energy: 0.7947223516744497
Energy: 0.9303558785023386
Energy: 0.7927197964259552
Energy: 0.9778221482095454
Energy: 0.9168271790274244
Energy: 0.977822148211656
Energy: 0.9397573412275474
Energy: 1.0637086447977175
Energy: 0.7819451994054591
Energy: 1.0637086447836472
Energy: 0.7927515344740311
Energy: 0.8639996366115876
Energy: 0.7850052064462294
Energy: 0.863999636606663
Energy: 1.0383394699046329
Energy: 1.1006902053542706
Energy: 0.7865188137981826
Energy: 1.1006902053409036
Energy: 0.813831763639256
Energy: 0.7978838781825088
Energy: 0.79871694718375
Energy: 0.7978838781803983
Energy: 1.0522934054854671
Energy: 0.9913887830662023
Energy: 0.7869159995491156
Energy: 0.9913887830781299
Energy: 0.7929694655461434
Energy: 0.7873713248421241
Energy: 0.7850108929870332
Energy: 0.7873713248301643
Energy: 0.7835459993663729
Energy: 0.9919555878344543
Energy: 0.7888669034037867
Energy: 0.9919555878414894
Energy: 0.7931466641441566
Energy: 0.7875878856842193
Energy: 0.7881481874603548
Energy: 0.7875878856771841
Energy: 0.7911322142350464
Energy: 0.8491948454215154
Energy: 0.8011493011554457
Energy: 0.8491948454229223
Energy: 0.7928947235324595
Energy: 0.978607074659567
Energy: 0.8007182753158661
Energy: 0.978607074663788
Energy: 0.7928936779405664
Energy: 1.1076235933881153
Energy: 0.8006927170616559
Energy: 1.1076235933895222
Energy: 0.7914248088120874
Energy: 0.8491329561968513
Energy: 0.8011243915185774
Energy: 0.8491329561975549
Energy: 0.7931319256610708
Energy: 0.787656128550149
Energy: 0.7889523776950473
Energy: 0.7876561285374857
Energy: 0.7835117005844333
Energy: 0.9919305043340364
Energy: 0.7886029453620426
Energy: 0.9919305043270013
Energy: 0.7929784590822836
Energy: 0.7872863372830365
Energy: 0.782941971056931
Energy: 0.7872863372788156
Energy: 1.0522996777977425
Energy: 0.9914208013436997
Energy: 0.7866697982122997
Energy: 0.9914208013444031
Energy: 0.8137370526468782
Energy: 0.7979095697366639
Energy: 0.7827508570028437
Energy: 0.7979095697254077
Energy: 1.0383513104487947
Energy: 1.1005184760217874
Energy: 0.7864786143744287
Energy: 1.1005184760203803
Energy: 0.7927409557259014
Energy: 0.8640234604628478
Energy: 0.8005514041487921
Energy: 0.8640234604579231
Energy: 0.9396862631857092
Energy: 0.9310702209805891
Energy: 0.7819511083099071
Energy: 0.931070220974961
Energy: 0.7927504757730474
Energy: 0.9778316676420425
Energy: 0.9192357710735954
Energy: 0.9778316676504848
Energy: 0.7775013261247801
Energy: 0.9303824160187293
Energy: 0.7947053794570074
Energy: 0.9303824160208397
Energy: 0.7929579048080786
Energy: 0.9795715562932854
Energy: 1.0431049034092719
Energy: 0.9795715562820291
Energy: 0.779891529985176
Energy: 0.9345250049312098
Energy: 0.7947326304908126
Energy: 0.9345250049255817
Energy: 0.792901408428576
Energy: 0.9776414884512185
Energy: 1.0736026600522777
Energy: 0.9776414884441833
Energy: 0.787398587043348
Energy: 1.0608600424857813
Energy: 0.7818616255772364
Energy: 1.0608600424984447

minimum gb energy = 0.7775013261247801 eV
minimum distance =  2.16476033628156 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.7379842891286736
Energy: 0.7367366947306879
Energy: 1.0078569938642865
Energy: 0.7367366947318982
Energy: 0.7700279456907325
Energy: 0.7359872868754832
Energy: 0.7118735881808945
Energy: 0.7359872868742728
Energy: 0.718871056286326
Energy: 0.9868325164834021
Energy: 1.0091989239215524
Energy: 0.9868325164846125
Energy: 0.7068959219622687
Energy: 0.9420918941327848
Energy: 0.7117687773421866
Energy: 0.9420918941327848
Energy: 0.7110436365922593
Energy: 0.7357840865619256
Energy: 0.7065350306010038
Energy: 0.7357840865619256
Energy: 0.7087371732271408
Energy: 0.9410388090060404
Energy: 0.7087392982045099
Energy: 0.9410388090072508
Energy: 0.7263159524636986
Energy: 1.1778137893391465
Energy: 0.9269851543458687
Energy: 1.1778137893391465
Energy: 0.711117472212327
Energy: 0.7370935845728391
Energy: 0.7380362764997179
Energy: 0.7370935845740495
Energy: 0.7110878710576456
Energy: 0.9410964503352186
Energy: 0.927426623059512
Energy: 0.9410964503352186
Energy: 0.9943327812874022
Energy: 1.0290928349537427
Energy: 0.7086803772633542
Energy: 1.0290928349537427
Energy: 0.7263607373904319
Energy: 1.1758700463502276
Energy: 0.7070045000279114
Energy: 1.175870046351438
Energy: 0.9796126941261541
Energy: 0.7362109758123043
Energy: 0.7118672850943583
Energy: 0.7362109758123043
Energy: 0.7061575940779435
Energy: 0.9410720223627339
Energy: 0.7189074153423524
Energy: 0.9410720223627339
Energy: 0.927086689081318
Energy: 0.9703263263715824
Energy: 0.7108944036375996
Energy: 0.9703263263703722
Energy: 0.7355913993984796
Energy: 0.768105170623037
Energy: 0.7109494092774732
Energy: 0.768105170623037
Energy: 0.7358562997578108
Energy: 0.9410872880782629
Energy: 0.7119468096658876
Energy: 0.9410872880782629
Energy: 0.7061497896223283
Energy: 0.8289532321915074
Energy: 0.7201414546228434
Energy: 0.8289532321915074
Energy: 0.7064635104578442
Energy: 1.3090902356190233
Energy: 0.711033667747833
Energy: 1.309090235617813
Energy: 0.7120507960695763
Energy: 0.7372829975349097
Energy: 0.7110602141982236
Energy: 0.7372829975349097
Energy: 0.7110138546201815
Energy: 0.9409896017740167
Energy: 0.706248416570056
Energy: 0.9409896017728063

minimum gb energy = 0.7061497896223283 eV
minimum distance =  2.20478375586724 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.6730714183819134
Energy: 0.9663637992908349
Energy: 0.8207199916778819
Energy: 0.9663637992898899
Energy: 0.9705823861289008
Energy: 0.9739463056827281
Energy: 0.6420621028963323
Energy: 0.9739463056836735
Energy: 0.6394004137678089
Energy: 0.639042567297853
Energy: 0.8763586522619272
Energy: 0.6390425672987982
Energy: 0.7998619892050477
Energy: 0.9740171549018678
Energy: 0.64198847670821
Energy: 0.9740171549009228
Energy: 0.641499369744
Energy: 0.9743388026856366
Energy: 0.6280761822432767
Energy: 0.9743388026865817
Energy: 0.6281570155656486
Energy: 0.9785829293213535
Energy: 0.642123810009736
Energy: 0.9785829293204082
Energy: 0.6437723828862815
Energy: 0.8059187417757734
Energy: 0.8353500214599501
Energy: 0.8059187417757734
Energy: 0.6304379322991547
Energy: 0.8290086477890705
Energy: 0.6405832396689108
Energy: 0.8290086477890705
Energy: 0.6416189920365977
Energy: 0.9781077807887497
Energy: 0.9434922535925475
Energy: 0.9781077807878046
Energy: 0.6303064263346426
Energy: 0.8023307495098826
Energy: 0.6742834753196593
Energy: 0.802330749511773
Energy: 0.6437640927638713
Energy: 0.6389387041148636
Energy: 0.9701816658116622
Energy: 0.6389387041148636
Energy: 0.8579446765703082
Energy: 1.0175354339197964
Energy: 0.6405179267120467
Energy: 1.0175354339188514
Energy: 0.6414516031143542
Energy: 0.9785092047761278
Energy: 0.8000214756827836
Energy: 0.9785092047751827
Energy: 0.8472367777974266
Energy: 1.084369595001731
Energy: 0.6421350951066297
Energy: 1.084369595001731
Energy: 0.643910354205896
Energy: 0.6389619534783472
Energy: 0.6274669893093515
Energy: 0.6389619534783472
Energy: 0.835087109339684
Energy: 1.1109835794631933
Energy: 0.6424594894412218
Energy: 1.1109835794622909
Energy: 0.6415831062619088
Energy: 0.8292150128558963
Energy: 0.6352751057955571
Energy: 0.829215012854951
Energy: 0.8187030378468607
Energy: 0.8125281858146556
Energy: 0.6420795551818871
Energy: 0.8125281858146556
Energy: 0.6747006551034445
Energy: 0.8037082304015026
Energy: 0.6309978841067041
Energy: 0.8037082304005576
Energy: 0.9701898948198385
Energy: 0.9000861127176804
Energy: 0.6422098217461596
Energy: 0.9000861127186254
Energy: 0.6416646831708863
Energy: 1.1111988862106559
Energy: 0.6353052578880418
Energy: 1.1111988862125461
Energy: 0.6389857960047014
Energy: 0.6537971786981926
Energy: 0.6421126195553166
Energy: 0.6537971786972476
Energy: 0.6439817097063931
Energy: 1.0866992636526858
Energy: 0.8479812316472047
Energy: 1.0866992636517405
Energy: 0.6274375009440758
Energy: 1.06171117036035
Energy: 0.6426812522909165
Energy: 1.061711170361295
Energy: 0.6419962452031371
Energy: 1.1109778278425921
Energy: 0.8359013167639368
Energy: 1.110977827840702
Energy: 0.6309639228916701
Energy: 0.8296880076010095
Energy: 0.6443359366060522
Energy: 0.8296880076019546

minimum gb energy = 0.6274375009440758 eV
minimum distance =  2.25046406461238 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.8477318647294767
Energy: 0.8481410857589042
Energy: 0.7783525190168995
Energy: 0.8481410857612288
Energy: 1.0901722014853021
Energy: 0.842598133627305
Energy: 0.576597946997824
Energy: 0.8425981336265301
Energy: 0.5904826820004767
Energy: 0.8390774652186069
Energy: 0.777064059616831
Energy: 0.8390774652201567
Energy: 0.8488061514815729
Energy: 0.8423865725106938
Energy: 0.5766513287403482
Energy: 0.842386572509919
Energy: 0.573089592345494
Energy: 0.8579163170180588
Energy: 0.5696087744544586
Energy: 0.8579163170180588
Energy: 0.7096050578934991
Energy: 0.8425471511086222
Energy: 0.5765253223184343
Energy: 0.8425471511086222
Energy: 0.575952480304496
Energy: 0.8422044092608634
Energy: 0.7440449647242503
Energy: 0.8422044092600884
Energy: 0.5685642224961612
Energy: 0.7198838275536595
Energy: 0.5737891472129755
Energy: 0.7198838275536595
Energy: 0.5773845801693691
Energy: 0.965758321080711
Energy: 0.8800980619474154
Energy: 0.9657583210814858
Energy: 0.5749091756107393
Energy: 0.8399083563134687
Energy: 0.5913551762555477
Energy: 0.839908356311919
Energy: 0.5758962508553783
Energy: 0.8431544233083427
Energy: 0.9692248252928644
Energy: 0.8431544233091175
Energy: 0.5711490926550961
Energy: 0.8486139976984156
Energy: 0.8483971874145518
Energy: 0.8486139976984156
Energy: 0.5782810171817356
Energy: 0.9755795132572032
Energy: 0.9780272768754986
Energy: 0.9755795132587529
Energy: 0.7587056595461336
Energy: 1.0758102517585832
Energy: 0.5912013957617921
Energy: 1.075810251759358
Energy: 0.5759537504704246
Energy: 0.8430833939657515
Energy: 0.8487782168558632
Energy: 0.8430833939665262
Energy: 0.7528036336329701
Energy: 0.9648961441473626
Energy: 0.5738384094347742
Energy: 0.9648961441473626
Energy: 0.5782933725172429
Energy: 0.9749092199900055
Energy: 0.7097460497107663
Energy: 0.97490921999233
Energy: 0.7449607280527729
Energy: 1.0739649893419114
Energy: 0.576435927345683
Energy: 1.0739649893419114
Energy: 0.5759689111099884
Energy: 0.7200281291492526
Energy: 0.5685211130471296
Energy: 0.7200281291484779
Energy: 0.7427845608602973
Energy: 0.964934509210926
Energy: 0.577870775817512
Energy: 0.964934509211701
Energy: 0.5932287359818456
Energy: 0.9758689495418088
Energy: 0.5757542279572005
Energy: 0.9758689495418088
Energy: 0.9751244853417922
Energy: 1.0882907823893158
Energy: 0.5765305175481896
Energy: 1.0882907823908652
Energy: 0.8503563322447216
Energy: 0.8493974522393525
Energy: 0.5710381368701544
Energy: 0.8493974522401274
Energy: 0.8481461050543986
Energy: 0.9752636194425769
Energy: 0.5777503267663375
Energy: 0.9752636194425769
Energy: 0.5932875732559442
Energy: 1.0717500781801672
Energy: 0.5761539150580244
Energy: 1.0717500781793925
Energy: 0.8488883199807958
Energy: 1.090548293441806
Energy: 0.576555218592696
Energy: 1.090548293442581
Energy: 0.5759150280887995
Energy: 0.9646345931942291
Energy: 0.7527392195624266
Energy: 0.9646345931942291
Energy: 0.5731735183665397
Energy: 0.9761407518895743
Energy: 0.5778327562923342
Energy: 0.9761407518903492
Energy: 0.5784287503441562
Energy: 1.0716177764569357
Energy: 0.7481581447621806
Energy: 1.071617776456161
Energy: 0.5685962693489184
Energy: 0.9996917540669549
Energy: 0.5772915995486686
Energy: 0.9996917540669549
Energy: 0.5800641437277114
Energy: 0.9646897998176839
Energy: 0.7437867923091852
Energy: 0.9646897998176839
Energy: 0.5709896621341592
Energy: 0.9754026142591263
Energy: 0.5951477724088378
Energy: 0.9754026142599013

minimum gb energy = 0.5685211130471296 eV
minimum distance =  2.22622174393293 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.764565435375195
Energy: 0.7537396751568052
Energy: 0.990983345728184
Energy: 0.7537396751574615
Energy: 1.0730867719926669
Energy: 0.7548515307595467
Energy: 0.5360156274794655
Energy: 0.7548515307602031
Energy: 0.5512437863104117
Energy: 0.7526725922556363
Energy: 0.7012013582690269
Energy: 0.7526725922530105
Energy: 1.0130669772574616
Energy: 0.7544009486701921
Energy: 0.536026744760232
Energy: 0.7544009486675665
Energy: 0.5339050288107506
Energy: 0.9761422579240424
Energy: 0.5240204205961402
Energy: 0.9761422579246987
Energy: 0.7497004229025827
Energy: 0.7550449638148286
Energy: 0.5359593117203783
Energy: 0.7550449638174543
Energy: 0.5355475862151896
Energy: 0.7586054382234197
Energy: 0.5515996594719537
Energy: 0.7586054382234197
Energy: 0.6407359553031476
Energy: 0.7585570868904451
Energy: 0.5360132610104711
Energy: 0.7585570868930708
Energy: 0.5372065281863213
Energy: 0.7589796317747135
Energy: 0.7899621050606386
Energy: 0.7589796317720878
Energy: 0.5226603347819844
Energy: 0.754961321683354
Energy: 0.5343190776190252
Energy: 0.7549613216853232
Energy: 0.535719502453954
Energy: 0.7541398379869589
Energy: 0.8963717853754326
Energy: 0.7541398379882717
Energy: 0.5278908545323858
Energy: 0.7531086653625616
Energy: 0.5516591750242745
Energy: 0.7531086653586231
Energy: 0.5373305075408202
Energy: 0.7586357508790397
Energy: 0.9749084579286265
Energy: 0.7586357508816653
Energy: 0.5243425338152471
Energy: 0.7539744286134246
Energy: 0.7649221756856434
Energy: 0.7539744286127681
Energy: 0.5356709154797955
Energy: 0.644783274072249
Energy: 0.9734633632484225
Energy: 0.6447832740742182
Energy: 0.6837409292978657
Energy: 0.7532422177869437
Energy: 0.5518075985937978
Energy: 0.7532422177862873
Energy: 0.5372311682071652
Energy: 0.7591724668502394
Energy: 0.8739491199754773
Energy: 0.759172466849583
Energy: 0.6797976810557692
Energy: 0.9788286089300702
Energy: 0.5342460357093477
Energy: 0.9788286089294137
Energy: 0.5355724813845193
Energy: 0.7551411302989885
Energy: 0.7494349966971372
Energy: 0.7551411302989885
Energy: 0.6741974122122376
Energy: 0.7544385505874722
Energy: 0.5359124531698103
Energy: 0.7544385505868157
Energy: 0.5372442057549657
Energy: 0.7672105656434863
Energy: 0.6377186656370384
Energy: 0.7672105656409203
Energy: 0.67170890109433
Energy: 0.7588192651803172
Energy: 0.5390772284236959
Energy: 0.7588192651796607
Energy: 0.5356521299640978
Energy: 0.7544469317376763
Energy: 0.5227037505192836
Energy: 0.7544469317350507
Energy: 0.911852640876393
Energy: 0.7538028483578828
Energy: 0.5362548471560469
Energy: 0.7538028483605084
Energy: 0.5528929911078915
Energy: 0.7672151147788501
Energy: 0.528704062144734
Energy: 0.767215114783445
Energy: 0.8799246850727913
Energy: 0.7593863688384845
Energy: 0.539068913899769
Energy: 0.7593863688352025
Energy: 0.7662648104327109
Energy: 0.754333050975462
Energy: 0.5243771578339571
Energy: 0.7543330509728363
Energy: 0.9721706754396158
Energy: 0.6449896781126073
Energy: 0.5360732651774516
Energy: 0.6449896781139203
Energy: 0.5529405218047034
Energy: 0.9952612004396291
Energy: 0.5334300249779365
Energy: 0.9952612004383162
Energy: 0.7530567723918578
Energy: 0.7592966656035226
Energy: 0.5392242351298757
Energy: 0.7592966656035226
Energy: 0.5355631751073752
Energy: 0.9762505413111424
Energy: 0.6800811996602114
Energy: 0.9762505413131116
Energy: 0.7718164884173444
Energy: 0.7547202917517645
Energy: 0.5359902276670091
Energy: 0.7547202917497953
Energy: 0.5371128663329389
Energy: 0.9955761609120859
Energy: 0.6765774687349275
Energy: 0.995576160915368
Energy: 0.5243811380824746
Energy: 0.7673679043641445
Energy: 0.5392586223768714
Energy: 0.767367904364801
Energy: 0.5328833370500179
Energy: 0.9763906097392228
Energy: 0.6714856689754973
Energy: 0.9763906097392228
Energy: 0.522745461907589
Energy: 0.7547567158147855
Energy: 0.537774603484829
Energy: 0.7547567158160985
Energy: 0.5373027738885804
Energy: 0.9956733863262957
Energy: 0.9093133671796394
Energy: 0.9956733863276085

minimum gb energy = 0.5226603347819844 eV
minimum distance =  2.209147897897 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.7707577630934672
Energy: 0.9176995290214539
Energy: 0.6300936528992703
Energy: 0.9176995290231619
Energy: 1.0640497724293296
Energy: 0.8006983844864459
Energy: 0.4838804134096472
Energy: 0.8006983844875846
Energy: 0.7401234861016072
Energy: 0.7497847990399992
Energy: 0.6100828734521209
Energy: 0.749784799037722
Energy: 0.9017670374772714
Energy: 0.6831708582132618
Energy: 0.4837873805497986
Energy: 0.6831708582104152
Energy: 0.5599231004937829
Energy: 0.6697907382309783
Energy: 0.5121373523391726
Energy: 0.6697907382304091
Energy: 0.8101993281104936
Energy: 0.6915921019213891
Energy: 0.4843585706606022
Energy: 0.6915921019202504
Energy: 0.5322830708096865
Energy: 0.6964730808536953
Energy: 0.5623982388017372
Energy: 0.6964730808565419
Energy: 0.7126397932853636
Energy: 0.6832229185336456
Energy: 0.48977936423806034
Energy: 0.6832229185342149
Energy: 0.4896430151962403
Energy: 0.6727036093104478
Energy: 0.6575934167765083
Energy: 0.6727036093098785
Energy: 0.6114745255833901
Energy: 0.6905804327511778
Energy: 0.5327988958372165
Energy: 0.690580432753455
Energy: 0.48427427156691794
Energy: 0.6830429986904908
Energy: 0.8456966212831515
Energy: 0.6830429986910602
Energy: 0.5151114644746655
Energy: 0.6846658110090657
Energy: 0.5603552394794337
Energy: 0.6846658110102044
Energy: 0.4833554348582831
Energy: 0.6726823167013352
Energy: 0.930227477499435
Energy: 0.6726823166984885
Energy: 0.47481450050196294
Energy: 0.7501744549052429
Energy: 0.7404754990314133
Energy: 0.7501744549075202
Energy: 0.4842132393614091
Energy: 0.6832851305514168
Energy: 0.9934031174392529
Energy: 0.6832851305519861
Energy: 0.46753540898891316
Energy: 0.89855138062864
Energy: 0.7139094564865851
Energy: 0.89855138062864
Energy: 0.48324740635403624
Energy: 0.6729309816855353
Energy: 0.9468707953573422
Energy: 0.6729309816861045
Energy: 0.6099938117038575
Energy: 0.7500968277358234
Energy: 0.7404701049985059
Energy: 0.7500968277346848
Energy: 0.48415256155303094
Energy: 0.6832993400031399
Energy: 0.9016337559318479
Energy: 0.683299339999724
Energy: 0.6024762289580384
Energy: 0.9169950134019004
Energy: 0.5603908316878098
Energy: 0.9169950134058856
Energy: 0.4849900698184136
Energy: 0.6343122945267434
Energy: 0.8101154703053767
Energy: 0.634312294527882
Energy: 0.6459436668546671
Energy: 0.7024413336272198
Energy: 0.532715301746795
Energy: 0.702441333625512
Energy: 0.4907389418692886
Energy: 0.683339487427423
Energy: 0.7125410719498525
Energy: 0.683339487427423
Energy: 0.6466794018293829
Energy: 0.6967596220433319
Energy: 0.4899476036259877
Energy: 0.6967596220427625
Energy: 0.5334147877568074
Energy: 0.6400813955189539
Energy: 0.6115051563396656
Energy: 0.6400813955166768
Energy: 0.8419805754662425
Energy: 0.6833750924072325
Energy: 0.4854434323885184
Energy: 0.6833750924055245
Energy: 0.5615694453141182
Energy: 0.6832999954572433
Energy: 0.515004624349847
Energy: 0.6832999954561046
Energy: 0.8475956349158873
Energy: 0.9097101531501764
Energy: 0.48362862561312003
Energy: 0.9097101531524537
Energy: 0.7412937471223282
Energy: 0.6913097771284905
Energy: 0.47071052639170774
Energy: 0.691309777129629
Energy: 0.9932681972819128
Energy: 0.6835251985832587
Energy: 0.4846193328603742
Energy: 0.6835251985866746
Energy: 0.7720520202733318
Energy: 0.6912280044017263
Energy: 0.4675541055998709
Energy: 0.6912280044057115
Energy: 0.9174587665720114
Energy: 0.9043409506763016
Energy: 0.4835093847579842
Energy: 0.9043409506785789
Energy: 0.7412290751008126
Energy: 0.6913850338937167
Energy: 0.4732292753447799
Energy: 0.6913850338931474
Energy: 0.9015454139749918
Energy: 0.6834522568982732
Energy: 0.4843850365872008
Energy: 0.6834522568982732
Energy: 0.5614634893688928
Energy: 0.6835804491415853
Energy: 0.6025914081186542
Energy: 0.6835804491404467
Energy: 0.7205280666448763
Energy: 0.7058314712447791
Energy: 0.48543304240259305
Energy: 0.7058314712470563
Energy: 0.533457394687489
Energy: 0.6835603198613597
Energy: 0.6489266906517278
Energy: 0.6835603198613597
Energy: 0.7125343155043273
Energy: 0.6834725360192556
Energy: 0.49181209000226
Energy: 0.683472536023241
Energy: 0.4907736640414957
Energy: 0.6835740181531346
Energy: 0.6466085478039859
Energy: 0.6835740181525652
Energy: 0.5173238677476644
Energy: 0.826105330274561
Energy: 0.5347572129454012
Energy: 0.8261053302756997
Energy: 0.48298260756493916
Energy: 0.6835001464530975
Energy: 0.8418626568367751
Energy: 0.683500146451959
Energy: 0.5150994059761562
Energy: 0.6835126098687039
Energy: 0.5617762827150825
Energy: 0.6835126098692732
Energy: 0.4844273760792635
Energy: 0.6836947347035437
Energy: 0.8477116818262107
Energy: 0.6836947347063904

minimum gb energy = 0.46753540898891316 eV
minimum distance =  2.25184765554775 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.014174714559386488
Energy: 0.01498297001966429
Energy: 0.7234694761657192
Energy: 0.014982970020515289
Energy: 0.7230847568692402
Energy: 0.27733303473661364
Energy: 0.27712044944702
Energy: 0.27733303473875326
Energy: 0.014174714559386488
Energy: 0.01498297001966429
Energy: 0.7235427147354798
Energy: 0.014982970020515289
Energy: 0.7230847568692402
Energy: 0.27733303473661364
Energy: 0.2771204503324259
Energy: 0.2773330347383399
Energy: 0.014174714559386488
Energy: 0.014982970020101946
Energy: 0.7235013733947753
Energy: 0.014982970020515289
Energy: 0.7230847568696778
Energy: 0.27733303473661364
Energy: 0.27712044911678296
Energy: 0.27733303473875326

minimum gb energy = 0.014174714559386488 eV
minimum distance =  2.56595538338041 Angstroms
sigma value = 1