Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850998885929584
cohesive_energy=4.280334740105136
mass=55.845
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: 0.013296375526155965
Energy: 0.013661505070680329
Energy: 2.2208303233688507
Energy: 0.013661505070680329
Energy: 0.013661505070680329
Energy: 0.013816172204850218
Energy: 0.45318422079021
Energy: 0.013816172204850218
Energy: 2.2208303233688507
Energy: 0.45318422079021
Energy: 0.45304601653946375
Energy: 0.45318422079021
Energy: 0.013661505070680329
Energy: 0.013816172204850218
Energy: 0.45318422079021
Energy: 0.013816172204850218

minimum gb energy = 0.013296375526155965 eV
minimum distance =  2.4657814014361 Angstroms
sigma value = 1


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

Energy: 1.0674245944769756
Energy: 0.6705685521158516
Energy: 0.8253226355933853
Energy: 0.6705685521134057
Energy: 1.1343145042866618
Energy: 0.6363060761203914
Energy: 0.6918715952313538
Energy: 0.6363060761118304
Energy: 1.3426028228984992
Energy: 0.6911207931386413
Energy: 0.6666756627710189
Energy: 0.6911207931386413
Energy: 1.0346938176987959
Energy: 0.6394512166269684
Energy: 0.6938008698544516
Energy: 0.6394512166281914
Energy: 1.035043154752891
Energy: 0.6391089924818372
Energy: 1.0582983311299432
Energy: 0.6391089924830602
Energy: 1.1550084574313637
Energy: 0.6488386218246148
Energy: 0.6481565398105924
Energy: 0.6488386218258378
Energy: 0.8402198541764566
Energy: 0.7208650616837553
Energy: 0.6480176843660069
Energy: 0.7208650616837553
Energy: 0.6394966743352934
Energy: 0.8622206070972409
Energy: 1.063045981634585
Energy: 0.8622206070960181
Energy: 0.8505597461003948
Energy: 0.6472379998968728
Energy: 1.0306570436515177
Energy: 0.6472379999091028
Energy: 1.326924912535393
Energy: 0.7560296862480211
Energy: 0.8428092549788546
Energy: 0.7560296862455753
Energy: 0.6657303263005682
Energy: 0.7116043555883996
Energy: 0.9361711336826265
Energy: 0.7116043555883996
Energy: 0.665658004956158
Energy: 0.6659822272295479
Energy: 1.4793165748178607
Energy: 0.6659822272295479
Energy: 0.8625290876019113
Energy: 0.636104019531162
Energy: 1.0295320743148766
Energy: 0.636104019531162
Energy: 0.6919020223681857
Energy: 0.6383528382056166
Energy: 1.0485802701329943
Energy: 0.6383528382056166
Energy: 0.6883510094942715
Energy: 0.6458693578080682
Energy: 1.1416920903092764
Energy: 0.6458693578092911
Energy: 0.6881638001410664
Energy: 0.6460014353006822
Energy: 1.1419679641077973
Energy: 0.6460014353019052
Energy: 0.6874192818377617
Energy: 0.6383970840874181
Energy: 1.06781028238758
Energy: 0.6383970840874181
Energy: 0.862547977562851
Energy: 0.6361835835987892
Energy: 1.0261179662870115
Energy: 0.6361835806148015
Energy: 0.6693396651411694
Energy: 0.6657602099527059
Energy: 1.5346716459854866
Energy: 0.6657602099527059
Energy: 0.6658950622870681
Energy: 0.7108787537352498
Energy: 0.842323194061033
Energy: 0.7108787537364728
Energy: 1.1997009179801719
Energy: 0.6480817179809253
Energy: 0.8440310941853186
Energy: 0.6480817179809253
Energy: 0.8528091321889263
Energy: 0.6387540474897198
Energy: 1.0304037212375463
Energy: 0.6387540474909428
Energy: 0.7468733866046288
Energy: 0.6453771033737791
Energy: 0.8570567973220727
Energy: 0.6453771033750021
Energy: 1.0442893632434993
Energy: 0.7219171949028491
Energy: 0.6482258960074018
Energy: 0.7219171949028491
Energy: 1.1549610984551377
Energy: 0.6484868182730825
Energy: 0.650061274813767
Energy: 0.6484868182730825
Energy: 1.0355410294780822
Energy: 0.6382664260908784
Energy: 1.0663968714145502
Energy: 0.6382664260896554
Energy: 1.0335627259396774
Energy: 0.6390541065277892
Energy: 0.6908258487966095
Energy: 0.6390541065277892
Energy: 1.3072160335097633
Energy: 0.6909305563810146
Energy: 0.6672196636624935
Energy: 0.6909305563810146
Energy: 1.134462171250547
Energy: 0.6361400191513292
Energy: 0.692288211621925
Energy: 0.6361400191501063
Energy: 1.063863523959001
Energy: 0.7083615240199851
Energy: 0.6911633892737271
Energy: 0.7083615240199851
Energy: 1.144044028015962
Energy: 0.6361486935693482
Energy: 0.7307854608107766
Energy: 0.6361486935693482
Energy: 1.15478874838281
Energy: 0.6636168115402583
Energy: 0.6673266448407937
Energy: 0.6636168115414813
Energy: 1.034866411935682
Energy: 0.6393814007553408
Energy: 0.7312687585759237
Energy: 0.6393814007553408

minimum gb energy = 0.636104019531162 eV
minimum distance =  2.35055521392535 Angstroms
sigma value = 1


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

Energy: 1.1937885058772846
Energy: 0.668395152406539
Energy: 1.0706310686307452
Energy: 0.6683951524079333
Energy: 1.066265024078831
Energy: 0.7288533431362689
Energy: 0.7669444465602034
Energy: 0.7288533431376634
Energy: 1.1001706926671708
Energy: 0.7042298476449698
Energy: 0.7042624256060364
Energy: 0.7042298476449698
Energy: 0.6457042765703669
Energy: 0.6814909507922099
Energy: 0.7633952626007205
Energy: 0.6814909507922099
Energy: 0.6455053141805388
Energy: 0.681705400249755
Energy: 1.176985574418031
Energy: 0.6817054002511495
Energy: 1.0993284154229697
Energy: 0.6814250796665663
Energy: 0.6811999365670904
Energy: 0.6814250796665663
Energy: 0.7041915941979673
Energy: 0.7291719826376795
Energy: 0.6809477431361485
Energy: 0.7291719826376795
Energy: 0.6810310603553651
Energy: 0.6814533327770076
Energy: 1.1763777578931884
Energy: 0.6814533327770076
Energy: 0.7042806850590839
Energy: 0.7277930357451088
Energy: 1.101652419217229
Energy: 0.7277930357465032
Energy: 1.4553849077192078
Energy: 0.6460595684138281
Energy: 0.6458876284682074
Energy: 0.6460595684138281
Energy: 0.6830679385530317
Energy: 0.7666329932166746
Energy: 1.0996321722163391
Energy: 0.7666329932166746
Energy: 0.6817583313090402
Energy: 0.6810926961851873
Energy: 1.423462032154936
Energy: 0.6810926961851873
Energy: 0.7635058695681683
Energy: 0.645450081397618
Energy: 1.066125623501196
Energy: 0.645450081397618
Energy: 0.7635058695695629
Energy: 0.6454435812429159
Energy: 1.0653510318318462
Energy: 0.6454435812429159
Energy: 0.6817652935605008
Energy: 0.6810157150683482
Energy: 1.4194080223196421
Energy: 0.6810157150683482
Energy: 0.6828709791232308
Energy: 0.7666478704554016
Energy: 1.1000580199013401
Energy: 0.7666478704554016
Energy: 1.4553849077192078
Energy: 0.6465454225726548
Energy: 0.6458323697423635
Energy: 0.6465454225726548
Energy: 0.704082455024919
Energy: 0.7280709068124703
Energy: 1.1015866369257887
Energy: 0.7280709068110761
Energy: 0.6808845312522778
Energy: 0.681142133460234
Energy: 1.1763777578931884
Energy: 0.681142133460234
Energy: 0.7039704350089461
Energy: 0.7292336339777512
Energy: 0.6809686896610558
Energy: 0.7292336339777512
Energy: 1.099345846613977
Energy: 0.6819678648016076
Energy: 0.6808544940455151
Energy: 0.6819678648030021
Energy: 0.6456138434019829
Energy: 0.6824121511495679
Energy: 1.176985574418031
Energy: 0.6824121511495679
Energy: 0.6455019274447326
Energy: 0.6814558018813962
Energy: 0.7633952626007205
Energy: 0.6814558018813962
Energy: 1.09995054416143
Energy: 0.7040752863229848
Energy: 0.7040616118813607
Energy: 0.7040752863243792
Energy: 1.0661958174341575
Energy: 0.7285838960949094
Energy: 0.7669444465588092
Energy: 0.7285838960949094
Energy: 1.1937885058758901
Energy: 0.668395152406539
Energy: 1.070684567342458
Energy: 0.6683951524079333
Energy: 1.066265024078831
Energy: 0.7288533431376634
Energy: 0.7669444465588092
Energy: 0.7288533431362689
Energy: 1.1001706926671708
Energy: 0.7042298476449698
Energy: 0.7042624256060364
Energy: 0.7042298476449698
Energy: 0.6457042765703669
Energy: 0.6814909507922099
Energy: 0.763395262602115
Energy: 0.6814909507922099

minimum gb energy = 0.6454435812429159 eV
minimum distance =  2.34549413293379 Angstroms
sigma value = 25


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

Energy: 0.9947379239044802
Energy: 0.827384592647116
Energy: 0.960176694239999
Energy: 0.827384592647116
Energy: 1.1674068456341853
Energy: 0.7179966588097939
Energy: 0.8048535509324347
Energy: 0.7179966588097939
Energy: 1.1908092575648157
Energy: 0.7470338680651812
Energy: 0.7579067244202284
Energy: 0.7470338680651812
Energy: 0.9885211999340062
Energy: 0.7052410003181282
Energy: 0.8705039564437093
Energy: 0.7052410003181282
Energy: 0.9873954095649402
Energy: 0.7054834426071145
Energy: 0.9484985028394484
Energy: 0.7054834426071145
Energy: 1.1905401890617604
Energy: 0.7189311914841126
Energy: 0.718135145016776
Energy: 0.7189311914841126
Energy: 0.7526378195735727
Energy: 0.7056870583567929
Energy: 0.7183737355313384
Energy: 0.7056870583584138
Energy: 0.7267645388118451
Energy: 0.7526633262679788
Energy: 1.4878565680750317
Energy: 0.7526633262679788
Energy: 0.7956353238171757
Energy: 0.8086813591293419
Energy: 0.9725888648697182
Energy: 0.8086813591293419
Energy: 0.7914518937449601
Energy: 0.6910367198540031
Energy: 1.0058944740867124
Energy: 0.691036719852382
Energy: 0.8196174163894843
Energy: 0.8088519151163731
Energy: 1.1761633161531686
Energy: 0.8088519151163731
Energy: 0.802579263344055
Energy: 0.7522187094220053
Energy: 1.1689991554236767
Energy: 0.7522187094220053
Energy: 0.8145590704901845
Energy: 0.691078452186686
Energy: 1.0059846616315915
Energy: 0.691078452186686
Energy: 0.7949640547459866
Energy: 0.8089488765030121
Energy: 0.9745889766185801
Energy: 0.8089488765030121
Energy: 0.7293442281698012
Energy: 0.7521633356394372
Energy: 1.4516571267950615
Energy: 0.7521633356394372
Energy: 0.7523286364293543
Energy: 0.7051651588590694
Energy: 0.7178502691649733
Energy: 0.7051651588590694
Energy: 1.450100421731589
Energy: 0.71827976818911
Energy: 0.717769560779662
Energy: 0.71827976818911
Energy: 0.9875579192163868
Energy: 0.7063329026445306
Energy: 0.9800891529899022
Energy: 0.7063329026445306
Energy: 0.9879643448002101
Energy: 0.7052133927088915
Energy: 0.8737418271205166
Energy: 0.7052133927088915
Energy: 0.9573354037367565
Energy: 0.7182412766171614
Energy: 0.7468082945353955
Energy: 0.7182412766171614
Energy: 1.1658269768167702
Energy: 0.7180023825813698
Energy: 0.7380885401072459
Energy: 0.7180023825813698
Energy: 0.9923601791885948
Energy: 0.6918366965231092
Energy: 0.8056957997972098
Energy: 0.6918366965231092
Energy: 1.16836431982673
Energy: 0.7922817103335116
Energy: 0.8049040941832343
Energy: 0.7922817103351325
Energy: 1.1910741989113895
Energy: 0.7472270821324496
Energy: 0.7581075103734671
Energy: 0.7472270821324496
Energy: 0.9873768865156757
Energy: 0.7055025019709531
Energy: 0.7387859667159574
Energy: 0.7055025019709531

minimum gb energy = 0.691036719852382 eV
minimum distance =  2.35744290633096 Angstroms
sigma value = 9


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

Energy: 0.711120508025844
Energy: 0.7093466496958227
Energy: 0.8852835424834423
Energy: 0.7093466496956249
Energy: 0.7100438004486129
Energy: 0.780006925356197
Energy: 0.7802993096079794
Energy: 0.780006925356197
Energy: 0.7800691749355367
Energy: 0.8351002781060872
Energy: 0.9000847931867154
Energy: 0.8351002781056918
Energy: 0.7798676281308561
Energy: 0.780045419783381
Energy: 0.7807464305315357
Energy: 0.7800454197829855
Energy: 0.7806421658771653
Energy: 0.7801076148728662
Energy: 0.7799836863033348
Energy: 0.7801076148728662
Energy: 1.4688273594008838
Energy: 0.7803241082035406
Energy: 0.7799571442355755
Energy: 0.7803241082037384
Energy: 0.7800939309150259
Energy: 0.78029906858896
Energy: 0.7807590527129946
Energy: 0.78029906858896
Energy: 0.7801898169469346
Energy: 0.7802984976779795
Energy: 1.3053934480964362
Energy: 0.7802984976777817
Energy: 0.9879062736034977
Energy: 0.7801768297246531
Energy: 0.7094781990620477
Energy: 0.7801768297250267
Energy: 0.9873120815701082
Energy: 0.7094090833828495
Energy: 0.70953472669839
Energy: 0.7094090833828495
Energy: 0.7808723535165489
Energy: 0.8970646880888816
Energy: 1.3068164097578043
Energy: 0.8970646880886838
Energy: 0.7805117898959223
Energy: 0.7092340803547644
Energy: 0.8648331568587966
Energy: 0.7092340803549623
Energy: 0.987015391113398
Energy: 0.7803067218006974
Energy: 0.7804510561632932
Energy: 0.7803067218004996
Energy: 0.86506679790336
Energy: 0.8209692974564845
Energy: 0.8649726956975118
Energy: 0.8209692974566823
Energy: 0.7804426554594506
Energy: 0.7803467680194429
Energy: 0.987015391113398
Energy: 0.7803467680192451
Energy: 0.8651422249982182
Energy: 0.7093155304445663
Energy: 0.7805921921237924
Energy: 0.7093155304443685
Energy: 1.3068050671790046
Energy: 0.8971855189921635
Energy: 0.7808876377834697
Energy: 0.8971855189921635
Energy: 0.7093286092235715
Energy: 0.7093795084971016
Energy: 0.9873120815708771
Energy: 0.7093795084971016
Energy: 0.7096558783944954
Energy: 0.7802757502339235
Energy: 0.9879062736031022
Energy: 0.7802757502348904
Energy: 1.305338932878457
Energy: 0.7801263549595009
Energy: 0.7804299106080342
Energy: 0.7801263549591054
Energy: 0.7801730449600832
Energy: 0.780462627114809
Energy: 0.7801146375332856
Energy: 0.7804626271146112

minimum gb energy = 0.7092340803547644 eV
minimum distance =  2.33972131872597 Angstroms
sigma value = 25


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

Energy: 0.8658401464253858
Energy: 1.0216076339011846
Energy: 0.9954048762069354
Energy: 1.0216076339011846
Energy: 1.1424581662031
Energy: 0.9438498294505681
Energy: 0.92421919772856
Energy: 0.9438498294515193
Energy: 1.0301374819350042
Energy: 0.8904536725287722
Energy: 0.9191979167794565
Energy: 0.8904536725285548
Energy: 0.8478975447148869
Energy: 0.9438765637824053
Energy: 0.9141774793507277
Energy: 0.9438765637769159
Energy: 0.9909951633551204
Energy: 0.9439325199144366
Energy: 1.170911548292548
Energy: 0.94393251991373
Energy: 1.2395759692052897
Energy: 0.8823619716227731
Energy: 0.8826674549809165
Energy: 0.8823619716223111
Energy: 0.978561367368338
Energy: 0.9444132626936212
Energy: 0.8820008488345301
Energy: 0.9444132626933767
Energy: 0.9914806787856708
Energy: 0.9817355803541058
Energy: 1.1706524057419607
Energy: 0.9817355803541058
Energy: 1.0109748238625247
Energy: 0.8829193063225775
Energy: 0.8845807279360685
Energy: 0.8829193063230396
Energy: 1.0109144770075196
Energy: 0.8837542062199277
Energy: 0.8824179699274451
Energy: 0.8837542062194386
Energy: 0.9940089281159175
Energy: 0.944882606117049
Energy: 1.1644364380464753
Energy: 0.9448826061175382
Energy: 0.9904643542181248
Energy: 0.882425276115321
Energy: 0.8758133940218743
Energy: 0.8824252761167343
Energy: 1.1138223778494438
Energy: 0.8751737700963478
Energy: 0.8956592517893167
Energy: 0.8751737700963478
Energy: 1.1531698476846013
Energy: 0.8830183339927966
Energy: 1.085980154325752
Energy: 0.8830183339923346
Energy: 1.0240810884092855
Energy: 0.8826479499074358
Energy: 1.0847004461966652
Energy: 0.8826479499076533
Energy: 1.127646550077867
Energy: 0.8774898949687092
Energy: 0.8956918300628575
Energy: 0.8774898949684646
Energy: 0.9914617572602195
Energy: 0.8827977406413767
Energy: 0.896296778158928
Energy: 0.8827977406418659

minimum gb energy = 0.8478975447148869 eV
minimum distance =  2.31841697045477 Angstroms
sigma value = 17


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

Energy: 1.2839276940995097
Energy: 0.9120715285491758
Energy: 1.0403049122447334
Energy: 0.9120715273023413
Energy: 1.2400571896982802
Energy: 1.0241152904722801
Energy: 1.014990263507979
Energy: 1.0241152904736346
Energy: 1.1197538656918817
Energy: 0.9862742288428992
Energy: 0.9648999069378468
Energy: 0.9862742288428992
Energy: 0.9556762863421069
Energy: 0.9510899997981173
Energy: 1.0148528182041443
Energy: 0.9510899997981173
Energy: 0.9878233742652548
Energy: 0.9969735749458313
Energy: 1.1080894330455515
Energy: 0.9969735749458313
Energy: 1.1576929833462852
Energy: 0.9215711970725462
Energy: 0.9662860590311693
Energy: 0.9215711970725462
Energy: 1.0815672541522565
Energy: 0.9540746628645848
Energy: 1.0814867489351683
Energy: 0.9540746628645848
Energy: 0.9992844140803644
Energy: 0.9504647503914537
Energy: 1.2109818950225388
Energy: 0.9504647503914537
Energy: 0.9804188997734401
Energy: 1.0045566843213942
Energy: 0.9370466491133209
Energy: 1.0045566843213942
Energy: 1.1379587156186466
Energy: 1.0304075633366412
Energy: 1.0220247472090875
Energy: 1.0304075633366412
Energy: 0.9815908929407089
Energy: 0.9785110965126503
Energy: 1.1227572075537742
Energy: 0.9785110965126503
Energy: 1.003227812461134
Energy: 1.0074757065033695
Energy: 1.0217527082574294
Energy: 1.0074757065033695
Energy: 1.168472560577779
Energy: 1.022609263913673
Energy: 1.0155121710846309
Energy: 1.022609263913673
Energy: 0.9782940527696997
Energy: 0.9798283876441197
Energy: 1.026955154289736
Energy: 0.9798283876427653
Energy: 1.003208664643318
Energy: 1.0684615984731507
Energy: 1.186981509045765
Energy: 1.068461598471796
Energy: 1.2055558780888977
Energy: 1.007864282082776
Energy: 0.9292842765739485
Energy: 1.0078642820841301
Energy: 0.9829565907325079
Energy: 1.004652647717532
Energy: 1.0218332040249425
Energy: 1.0046526477148232
Energy: 0.9779643532339909
Energy: 1.0348836208413235
Energy: 1.0909776024421802
Energy: 1.0348836208413235
Energy: 1.049544991589704
Energy: 1.0294010656520707
Energy: 1.0774918812088972
Energy: 1.0294010656520707
Energy: 1.1521601670298351
Energy: 1.0282984935164086
Energy: 1.078470224289088
Energy: 1.0282984935164086
Energy: 0.9457105024828547
Energy: 1.0417793114765281
Energy: 1.1647691133559146
Energy: 1.0417793114778824
Energy: 0.963919072211987
Energy: 1.0042477984383038
Energy: 1.0076154095881658
Energy: 1.0042477984396583
Energy: 1.1383097790458319
Energy: 0.984776561389476
Energy: 0.9715477967261937
Energy: 0.984776561389476
Energy: 1.0667510144677206
Energy: 0.9203245638856963
Energy: 1.1163397288356804
Energy: 0.9203245638856963
Energy: 1.0666184239188536
Energy: 0.9215715821306075
Energy: 1.1012011235735528
Energy: 0.9215715821333164
Energy: 1.1342958866310104
Energy: 0.9845300237817973
Energy: 1.0080080916944176
Energy: 0.9845300237804431
Energy: 0.966218033766762
Energy: 1.0054414440018644
Energy: 0.9762345371682128
Energy: 1.0054414440018644
Energy: 0.9537877923149235
Energy: 0.9515536027497097
Energy: 1.1728604542877021
Energy: 0.9515536027497097
Energy: 1.1193708449076545
Energy: 1.0280134413716984
Energy: 1.079714957376884
Energy: 1.0280134413730526
Energy: 1.0580490843560137
Energy: 1.030414136238086
Energy: 0.96482316930626
Energy: 1.030414136238086

minimum gb energy = 0.9120715273023413 eV
minimum distance =  2.31060136186077 Angstroms
sigma value = 53


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

Energy: 1.0384831964255696
Energy: 1.0391435594560112
Energy: 1.2248869764107995
Energy: 1.0391435594572513
Energy: 1.0917553799056223
Energy: 1.0386079664236696
Energy: 1.0382264283182454
Energy: 1.0386079664233507
Energy: 1.0392193565141736
Energy: 1.142892909689135
Energy: 1.1102894628970288
Energy: 1.142892909689135
Energy: 1.1104147296772797
Energy: 1.1423721797082331
Energy: 1.0396338480956524
Energy: 1.142372179708552
Energy: 1.038050188598905
Energy: 1.038927743353146
Energy: 1.091684166417421
Energy: 1.0389277433537487
Energy: 1.4376889482230262
Energy: 1.0391435594562948
Energy: 1.038483196425853
Energy: 1.0391435594562948
Energy: 1.0382264283182454
Energy: 1.0386079664221108
Energy: 1.0917553799056223
Energy: 1.038607966422713
Energy: 1.1102894628970288
Energy: 1.142892909689135
Energy: 1.039223357317814
Energy: 1.142892909688816
Energy: 1.0393369039690625
Energy: 1.1423721797082331
Energy: 1.1104147296772797
Energy: 1.142372179708552
Energy: 1.0916841664168186
Energy: 1.0389277433540673
Energy: 1.038050188598905
Energy: 1.0389277433543864
Energy: 1.038483196426172
Energy: 1.0391435594572513
Energy: 1.224601864961496
Energy: 1.0391435594562948
Energy: 1.0917553799053388
Energy: 1.0386079664236696
Energy: 1.0382264283182454
Energy: 1.0386079664236696
Energy: 1.0392270001281356
Energy: 1.142892909688816
Energy: 1.1102894628970288
Energy: 1.142892909688816

minimum gb energy = 1.038050188598905 eV
minimum distance =  2.33193782966104 Angstroms
sigma value = 9


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

Energy: 1.1211465048143494
Energy: 1.087198380716207
Energy: 1.217917301646312
Energy: 1.087198380716207
Energy: 1.2273916566852427
Energy: 1.05074543826275
Energy: 1.1791125309458055
Energy: 1.0507454382592878
Energy: 1.1106309661204141
Energy: 1.0696397945797114
Energy: 1.0671621338094228
Energy: 1.0696397945797114
Energy: 1.0695759949392905
Energy: 1.107821438030486
Energy: 1.1632292141902651
Energy: 1.107821438030486
Energy: 1.1587119878686665
Energy: 1.051764180429748
Energy: 1.2163767835175592
Energy: 1.051764180429748
Energy: 1.3290506298264333
Energy: 1.1686881090541108
Energy: 1.1238219919451693
Energy: 1.1686881090541108
Energy: 1.1671104959357064
Energy: 1.1368156398526736
Energy: 1.232221090251032
Energy: 1.1368156398526736
Energy: 1.0485687088793896
Energy: 1.0947587970220085
Energy: 1.1071346761325895
Energy: 1.0947587970220085
Energy: 1.1394197548061713
Energy: 1.0748746444025223
Energy: 1.111513904077916
Energy: 1.0748746444025223
Energy: 1.1535436646762116
Energy: 1.069484059590835
Energy: 1.1562012010223788
Energy: 1.069484059590835
Energy: 1.0562961205509065
Energy: 1.1836381661605184
Energy: 1.3190381359409837
Energy: 1.1836381661605184
Energy: 1.2939761575933193
Energy: 1.1444705249105294
Energy: 1.1215151887796366
Energy: 1.1444705249105294
Energy: 1.1233297996030673
Energy: 1.0682767842094545
Energy: 1.0691245434542944
Energy: 1.0682767842083005
Energy: 1.1411332608168192
Energy: 1.1057551443041027
Energy: 1.1807614434669347
Energy: 1.1057551443041027
Energy: 1.1249557763652713
Energy: 1.0935906627327479
Energy: 1.0928208681330551
Energy: 1.0935906627327479
Energy: 1.3260680797328641
Energy: 1.071039588445514
Energy: 1.0815963142252445
Energy: 1.0710395884443598
Energy: 1.1377909016278602
Energy: 1.0698130687639869
Energy: 1.3168956633087148
Energy: 1.0698130687651406
Energy: 1.0590519483405731
Energy: 1.068357428685195
Energy: 1.1545233556681291
Energy: 1.068357428685195
Energy: 1.2625866217230624
Energy: 1.0927366362427888
Energy: 1.105648051004031
Energy: 1.0927366362439428
Energy: 1.1166585255037353
Energy: 1.0680610595702515
Energy: 1.1116544747061419
Energy: 1.0680610595725595
Energy: 1.0581373031364008
Energy: 1.09281139693859
Energy: 1.3163010772120358
Energy: 1.09281139693859
Energy: 1.2419541602548871
Energy: 1.051445821098826
Energy: 1.1504303757939294
Energy: 1.051445821097672
Energy: 1.2206907279956791
Energy: 1.0575589302110642
Energy: 1.1213744508734327
Energy: 1.0575589302145265
Energy: 1.1159706246935142
Energy: 1.1029839360623162
Energy: 1.2896862958762279
Energy: 1.1029839360623162
Energy: 1.0849379901959033
Energy: 1.0941080520502475
Energy: 1.087979783766998
Energy: 1.0941080520502475
Energy: 1.2494880622761855
Energy: 1.1250455913111848
Energy: 1.0852339997430902
Energy: 1.1250455913065687
Energy: 1.2259185300923414
Energy: 1.0408063966506873
Energy: 1.305248142843475
Energy: 1.0408063966495333
Energy: 1.1176920440026807
Energy: 1.0418381084266748
Energy: 1.2999773229724434
Energy: 1.0418381084255208
Energy: 1.280174269755656
Energy: 1.1235081579977941
Energy: 1.0873266157317238
Energy: 1.1235081579989483
Energy: 1.0726647946333374
Energy: 1.0940476093507852
Energy: 1.0854914658423624
Energy: 1.094047609353093
Energy: 1.0937042963644787
Energy: 1.1052810070226051
Energy: 1.321835473555407
Energy: 1.1052810070226051
Energy: 1.220991061346135
Energy: 1.0519326006498995
Energy: 1.1237987242499983
Energy: 1.0519326006510534
Energy: 1.3258968181844883
Energy: 1.0515243285013725
Energy: 1.145838460623598
Energy: 1.0515243285002185
Energy: 1.0673328670252487
Energy: 1.0922008228748168
Energy: 1.316141356572604
Energy: 1.0922008228736628
Energy: 1.095397191592271
Energy: 1.0713812990107718
Energy: 1.1040677203406215
Energy: 1.0713812990107718

minimum gb energy = 1.0408063966495333 eV
minimum distance =  2.2957529870177 Angstroms
sigma value = 73


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

Energy: 1.1304151389166115
Energy: 1.1450332282172664
Energy: 1.2695318600147905
Energy: 1.1450332282172664
Energy: 1.1144500539759787
Energy: 1.152933145950001
Energy: 1.1693288548702792
Energy: 1.152933145950001
Energy: 1.1274589250267544
Energy: 1.1235203614830123
Energy: 1.0440161006572917
Energy: 1.1235203614830123
Energy: 1.10438928978616
Energy: 1.051449281054036
Energy: 1.147535298930929
Energy: 1.051449281053849
Energy: 1.2479358417695767
Energy: 1.0524010895769544
Energy: 1.1545788716445597
Energy: 1.0524010895765799
Energy: 1.4077679358519184
Energy: 1.1878829396720485
Energy: 1.0196741144341417
Energy: 1.1878829396720485
Energy: 1.1397520984688494
Energy: 1.1445557927587806
Energy: 1.1804641110768348
Energy: 1.1445557927587806
Energy: 1.0516251386249915
Energy: 1.0519820012047074
Energy: 1.2192591722220447
Energy: 1.0519820012047074
Energy: 1.2972477268367129
Energy: 1.124694532406956
Energy: 1.2059681544211058
Energy: 1.1246945324067892
Energy: 1.0910210485793062
Energy: 1.123225364574471
Energy: 1.1717084629771424
Energy: 1.123225364574471
Energy: 1.0708659936162057
Energy: 1.0520094166476113
Energy: 1.4104451801278957
Energy: 1.0520094166476113
Energy: 1.2585386369724783
Energy: 1.051646399496805
Energy: 1.1771507593856652
Energy: 1.0516463994964513
Energy: 1.2456305955732976
Energy: 1.0515992366790192
Energy: 1.0181752398989568
Energy: 1.0515992366786444
Energy: 1.1278760729203499
Energy: 1.1139194918012916
Energy: 1.3630466764761262
Energy: 1.1139194918011253
Energy: 1.0994227472680853
Energy: 1.0513557203546608
Energy: 1.1465205872899602
Energy: 1.0513557203546608
Energy: 1.2654130285206655
Energy: 1.123139315725873
Energy: 1.061403002426967
Energy: 1.1231393157253322
Energy: 1.116045917852351
Energy: 1.018239495936179
Energy: 1.3699560578390857
Energy: 1.0182394959359915
Energy: 1.1147448684312953
Energy: 1.0183717928709766
Energy: 1.362372129342405
Energy: 1.0183717928711433
Energy: 1.2740615096135004
Energy: 1.1233019187231157
Energy: 1.1462009137603142
Energy: 1.1233019187231157
Energy: 1.1284591094167586
Energy: 1.0511212869519895
Energy: 1.0612458482296878
Energy: 1.0511212869529047
Energy: 1.1279222977317251
Energy: 1.114554818634072
Energy: 1.2780965991895914
Energy: 1.1145548186355492
Energy: 1.245056203532787
Energy: 1.0508340751069158
Energy: 1.0394516422544176
Energy: 1.050834075107103

minimum gb energy = 1.0181752398989568 eV
minimum distance =  2.29874336694314 Angstroms
sigma value = 7


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

Energy: 1.1792214191236956
Energy: 1.1601478842326391
Energy: 1.2334861343679786
Energy: 1.1601478842326391
Energy: 1.143447662771032
Energy: 1.074132976761209
Energy: 1.1431723844904533
Energy: 1.0741329767599141
Energy: 1.1448031377029642
Energy: 1.0732114815492266
Energy: 1.074955427887108
Energy: 1.0732114815492266
Energy: 1.1367268772177554
Energy: 1.0137734982804445
Energy: 1.1244924778274543
Energy: 1.0137734982804445
Energy: 1.223470428591841
Energy: 1.0733432300377257
Energy: 1.0126856630847507
Energy: 1.0733432300377257
Energy: 1.4517201250456744
Energy: 1.0139111701619057
Energy: 1.0156314606914818
Energy: 1.013911170164495
Energy: 1.014642435256452
Energy: 1.1289581707601164
Energy: 1.2466283923830574
Energy: 1.1289581707601164
Energy: 1.0158857794105813
Energy: 1.0140405439604119
Energy: 1.2228666770234091
Energy: 1.0140405439617068
Energy: 1.211756525205966
Energy: 1.0753800620457064
Energy: 1.144738126796528
Energy: 1.0753800620457064
Energy: 1.1241216339551199
Energy: 1.0143932712965764
Energy: 1.1375757821044914
Energy: 1.0143932712965764
Energy: 1.1269541032324446
Energy: 1.074609124221982
Energy: 1.2224840398871992
Energy: 1.0746091242206874
Energy: 1.3900058816575327
Energy: 1.0143218146828756
Energy: 1.1430134888898562
Energy: 1.014321814681581
Energy: 1.3892468405972118
Energy: 1.0142450086787818
Energy: 1.1426389799993801
Energy: 1.0142450086787818
Energy: 1.1305893677341228
Energy: 1.0780547070266735
Energy: 1.2976801665312505
Energy: 1.0780547070266735
Energy: 1.1273483308419836
Energy: 1.0151431922074305
Energy: 1.1316031345790278
Energy: 1.015143192204841
Energy: 1.2129517172396915
Energy: 1.185017253424692
Energy: 1.142600400089143
Energy: 1.185017253424692
Energy: 1.013200252235067
Energy: 1.0148103841977318
Energy: 1.223042114667366
Energy: 1.0148103841990266
Energy: 1.0142098679828047
Energy: 1.0747013581895817
Energy: 1.291799019349354
Energy: 1.0747013581895817
Energy: 1.4514119432552932
Energy: 1.0147259347056388
Energy: 1.0154602663310646
Energy: 1.0147259347056388
Energy: 1.2230080656126023
Energy: 1.0745399875713977
Energy: 1.013486133437462
Energy: 1.0745399875726922
Energy: 1.1414406130966046
Energy: 1.1416255863271312
Energy: 1.1255137954421328
Energy: 1.1416255863271312
Energy: 1.1425334856739082
Energy: 1.0743105221721603
Energy: 1.0775315260342293
Energy: 1.0743105221721603
Energy: 1.1711070604978377
Energy: 1.1384279966191744
Energy: 1.1256109050669192
Energy: 1.1384279966191744
Energy: 1.147974781339383
Energy: 1.1562718730006725
Energy: 1.3891195958227582
Energy: 1.156271873001967
Energy: 1.149118261279305
Energy: 1.013196190707555
Energy: 1.1412573201579634
Energy: 1.0131961907088498
Energy: 1.2224659817493544
Energy: 1.0740709535960935
Energy: 1.1024608467121741
Energy: 1.0740709535947985
Energy: 1.134191940981853
Energy: 1.0134361757340262
Energy: 1.124235051475043
Energy: 1.013436175731437
Energy: 1.2234397033770814
Energy: 1.0742733378715361
Energy: 1.2137182040017986
Energy: 1.0742733378715361
Energy: 1.2257296804483433
Energy: 1.0149888080584224
Energy: 1.0129328827892878
Energy: 1.0149888080584224
Energy: 1.2488222970609224
Energy: 1.1723647526975967
Energy: 1.2474113635887294
Energy: 1.1723647526975967
Energy: 1.0127687828027312
Energy: 1.0131704262083456
Energy: 1.2257296804172706
Energy: 1.0131704262083456

minimum gb energy = 1.0126856630847507 eV
minimum distance =  2.31155973636538 Angstroms
sigma value = 29


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

Energy: 0.8842141262477855
Energy: 1.1274241893168377
Energy: 1.1990190012857753
Energy: 1.1274241893168377
Energy: 1.1750447797220072
Energy: 0.9982487212907367
Energy: 0.9958688494499732
Energy: 0.9982487212907367
Energy: 1.1995370864147143
Energy: 0.960213348504384
Energy: 0.9609905827958409
Energy: 0.960213348504384
Energy: 1.2387563851286831
Energy: 1.0603095652700971
Energy: 0.9603941861633207
Energy: 1.0603095652700971
Energy: 1.2084171100997914
Energy: 1.059428047791581
Energy: 0.9609950819522287
Energy: 1.059428047791581
Energy: 1.3218225154233967
Energy: 0.9606937379210029
Energy: 0.9605482167622738
Energy: 0.9606937379210029
Energy: 1.1771418313219997
Energy: 0.9604828928006915
Energy: 1.485864703381065
Energy: 0.9604828928006915
Energy: 0.8830304283359145
Energy: 0.9607618522272904
Energy: 1.4870707701236718
Energy: 0.9607618522277415
Energy: 1.2170175418945457
Energy: 0.9974091672996133
Energy: 0.996723013253367
Energy: 0.997409167300039

minimum gb energy = 0.8830304283359145 eV
minimum distance =  2.34608280923436 Angstroms
sigma value = 5


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

Energy: 1.014447368356526
Energy: 1.0648297195310337
Energy: 1.4969439923336423
Energy: 1.0648297195310337
Energy: 1.153303598376038
Energy: 1.0664513594585137
Energy: 1.0529002731869204
Energy: 1.0664513594585137
Energy: 1.0134691298097749
Energy: 1.1123148414439428
Energy: 0.9782219813074887
Energy: 1.1123148414439428
Energy: 1.0134031638009913
Energy: 0.9930907408682809
Energy: 1.0123242262796837
Energy: 0.9930907408670578
Energy: 0.944655526384465
Energy: 1.1058022276436292
Energy: 0.961841419280707
Energy: 1.1058022276436292
Energy: 1.063173735536254
Energy: 1.0808949575194842
Energy: 0.9660147716544033
Energy: 1.0808949575207072
Energy: 1.0096619380987222
Energy: 1.1024864766050793
Energy: 1.1047909053351461
Energy: 1.1024864766050793
Energy: 1.009672166602016
Energy: 1.1026113047085058
Energy: 1.213114213705854
Energy: 1.1026113047085058
Energy: 1.3286162765695657
Energy: 0.946310483649798
Energy: 1.0011792457230204
Energy: 0.946310483648575
Energy: 1.2123229244912768
Energy: 0.945799598798689
Energy: 1.0013189414822583
Energy: 0.945799598799912
Energy: 0.9923866226790647
Energy: 1.0067318600434993
Energy: 1.1235535340741687
Energy: 1.0067318600434993
Energy: 0.9904857443380103
Energy: 1.099828617363373
Energy: 0.9757239117913425
Energy: 1.099828617363373
Energy: 1.133530195800196
Energy: 1.0359237500761131
Energy: 0.9740702448764736
Energy: 1.0359237500761131
Energy: 0.9449536178404275
Energy: 1.1039914882652353
Energy: 0.9742786324355612
Energy: 1.1039914882652353
Energy: 0.9844690989291901
Energy: 0.962879069858353
Energy: 1.1164486904989468
Energy: 0.9628790698546841
Energy: 1.2554584532384554
Energy: 1.0757762550547152
Energy: 1.0107435691090025
Energy: 1.0757762550547152
Energy: 1.1302640201786003
Energy: 0.9911252441943484
Energy: 1.0950746764790673
Energy: 0.9911252441943484
Energy: 0.9683790724475191
Energy: 1.0887922452960597
Energy: 1.2178104090529571
Energy: 1.0887922452960597
Energy: 1.039102444594502
Energy: 0.9616483174523636
Energy: 1.0443215214955537
Energy: 0.9616483174523636
Energy: 0.9932466250582058
Energy: 1.1124447329237426
Energy: 0.9630902436933241
Energy: 1.1124447329237426
Energy: 0.9943494903040513
Energy: 0.9916467186258935
Energy: 1.0208284335627464
Energy: 0.9916467186258935
Energy: 1.0654719937843404
Energy: 1.115635640591653
Energy: 0.9754854830333672
Energy: 1.115635640591653
Energy: 1.0132896034799757
Energy: 1.1077345178770088
Energy: 0.9706301354724772
Energy: 1.1077345178770088
Energy: 1.0677737269934897
Energy: 0.9400965830183398
Energy: 1.2663966141776875
Energy: 0.9400965830183398
Energy: 1.0749556327946734
Energy: 1.0126520527673146
Energy: 1.2748900701394819
Energy: 1.0126520527673146
Energy: 1.131632096766476
Energy: 1.1428820048308017
Energy: 0.9763346275829778
Energy: 1.1428820048308017
Energy: 1.0176514936550234
Energy: 1.108129070408809
Energy: 0.9706501043602471
Energy: 1.108129070408809
Energy: 0.9913172346778624
Energy: 1.0459810578949351
Energy: 1.1439979060659418
Energy: 1.0459810578949351
Energy: 0.995072937023474
Energy: 1.1121458008951322
Energy: 0.9617731597349857
Energy: 1.1121458008951322
Energy: 1.1250296279685355
Energy: 1.0468630326110657
Energy: 1.0139953485267343
Energy: 1.0468630326122885
Energy: 1.0167975422609319
Energy: 1.0888046287778164
Energy: 1.1015550619871661
Energy: 1.0888046287778164
Energy: 1.0426142233182298
Energy: 0.945091426533641
Energy: 1.2008280666341387
Energy: 0.945091426533641
Energy: 1.3424790518945637
Energy: 1.0271004622439186
Energy: 1.0063565076847911
Energy: 1.0271004622451418

minimum gb energy = 0.9400965830183398 eV
minimum distance =  2.3128809316871 Angstroms
sigma value = 1


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

Energy: 0.9264625815130991
Energy: 1.0131757410754354
Energy: 1.1475817702658386
Energy: 1.0131757410754354
Energy: 0.9048543385553459
Energy: 0.9884471539266362
Energy: 0.9731455379551964
Energy: 0.9884471539266362
Energy: 1.1146321410714917
Energy: 1.0971718448140733
Energy: 1.0448088047669601
Energy: 1.0971718448140733
Energy: 0.9734369848120769
Energy: 1.078842517375751
Energy: 0.9821739475535808
Energy: 1.0788425173774419
Energy: 0.9228745635876942
Energy: 0.9848451008191469
Energy: 0.9228153505319105
Energy: 0.9848451008191469
Energy: 0.9725855101559505
Energy: 0.9229024720556005
Energy: 0.9228374010199842
Energy: 0.9229024720556005
Energy: 0.9839471368170195
Energy: 1.0625900635012717
Energy: 1.1141978228677847
Energy: 1.0625900634995809
Energy: 0.9833040914416783
Energy: 1.0639123766402494
Energy: 1.1142382131791058
Energy: 1.0639123766402494
Energy: 1.1879834505456304
Energy: 0.9844526781560431
Energy: 0.9132988298551399
Energy: 0.9844526781577341
Energy: 1.1879834505439393
Energy: 0.9842544449580306
Energy: 0.9133057240249777
Energy: 0.9842544449580306
Energy: 0.9831313589326311
Energy: 1.0638772229723092
Energy: 1.1142382131791058
Energy: 1.0638772229723092
Energy: 0.9843445764129268
Energy: 1.062561160872799
Energy: 1.1141978228677847
Energy: 1.062561160872799
Energy: 0.9722895994492015
Energy: 0.9229258580629057
Energy: 0.9230462583381908
Energy: 0.9229258580629057
Energy: 0.9228665114952525
Energy: 0.9849408278579485
Energy: 0.9228508966950028
Energy: 0.9849408278579485
Energy: 0.9744768447689742
Energy: 1.0787903551596065
Energy: 0.982396517461795
Energy: 1.0787903551596065
Energy: 1.1146321410714917
Energy: 1.0971424440455668
Energy: 0.9819541996001588
Energy: 1.0971424440455668
Energy: 0.9049945392828431
Energy: 0.9885065710363665
Energy: 0.973128117524851
Energy: 0.9885065710363665
Energy: 0.9264625815147901
Energy: 1.0131757410754354
Energy: 1.1475830777677378
Energy: 1.0131757410754354
Energy: 0.904854338553655
Energy: 0.9884471539266362
Energy: 0.9731455379551964
Energy: 0.9884471539266362
Energy: 1.1146321410714917
Energy: 1.0971718448140733
Energy: 1.0448088047669601
Energy: 1.0971718448140733
Energy: 0.9734369848120769
Energy: 1.0788425173774419
Energy: 0.9821739475535808
Energy: 1.0788425173774419
Energy: 0.9228745635876942
Energy: 0.9848451008191469
Energy: 0.9228153505319105
Energy: 0.9848451008191469
Energy: 0.9725855101559505
Energy: 0.9229024720556005
Energy: 0.9228374010199842
Energy: 0.9229024720556005
Energy: 0.9839471368170195
Energy: 1.0625900634978898
Energy: 1.1141978228677847
Energy: 1.0625900634945078

minimum gb energy = 0.904854338553655 eV
minimum distance =  2.31143805167967 Angstroms
sigma value = 17


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

Energy: 1.0465398336989358
Energy: 1.016046379340387
Energy: 1.421466109159024
Energy: 1.016046379340387
Energy: 1.0772909484386342
Energy: 0.904426349194456
Energy: 1.0621428426711568
Energy: 0.9044263491955011
Energy: 0.9733521546221892
Energy: 1.0569426558572907
Energy: 0.9329146237898199
Energy: 1.0569426558572907
Energy: 0.9438448831373839
Energy: 0.9383989254225598
Energy: 1.058198387854774
Energy: 0.9383989254225598
Energy: 0.9318622877018373
Energy: 1.0648020439028276
Energy: 0.9504648918517822
Energy: 1.0648020439028276
Energy: 0.9676372622122481
Energy: 0.9458112304912951
Energy: 0.9517758761206171
Energy: 0.9458112304912951
Energy: 0.9287409895921142
Energy: 1.0743257627086507
Energy: 0.946639277113404
Energy: 1.0743257627086507
Energy: 0.9291516792445343
Energy: 1.090116306412112
Energy: 0.9645958051638923
Energy: 1.090116306412112
Energy: 1.1070866045334153
Energy: 1.0131635426708392
Energy: 1.0308683477297196
Energy: 1.0131635426708392
Energy: 1.175942905093233
Energy: 1.0138733160595088
Energy: 1.0282660309149236
Energy: 1.0138733160595088
Energy: 0.9762713000996166
Energy: 1.0213463981519977
Energy: 1.1523448334281117
Energy: 1.0213463981519977
Energy: 0.9746852354859199
Energy: 1.0223176614746685
Energy: 0.9631335797389793
Energy: 1.0223176614746685
Energy: 0.9766248799796149
Energy: 1.0193087864382608
Energy: 0.9434588773823328
Energy: 1.0193087864382608
Energy: 0.9357359220990967
Energy: 1.0722826367752625
Energy: 0.9447256418130293
Energy: 1.0722826367752625
Energy: 0.941232041323882
Energy: 1.0068191550524082
Energy: 0.9471118717975214
Energy: 1.006819155051363
Energy: 0.9431807544938705
Energy: 1.0743798909146611
Energy: 0.9165866341890186
Energy: 1.0743798909146611
Energy: 1.0394548757612012
Energy: 0.9161715470035621
Energy: 0.9799030707606698
Energy: 0.9161715470035621
Energy: 0.976357053704329
Energy: 1.047777672402521
Energy: 1.1589055206073642
Energy: 1.047777672401476
Energy: 1.0461918336188767
Energy: 1.0582703964536344
Energy: 1.043410936762861
Energy: 1.0582703964536344
Energy: 1.2518254487513676
Energy: 1.016450934503578
Energy: 0.9887659431044569
Energy: 1.0164509345025328
Energy: 0.9757116257753339
Energy: 1.1367836847610548
Energy: 1.0798019825212528
Energy: 1.1367836847610548
Energy: 0.9363885181564156
Energy: 1.0558573694300117
Energy: 0.953906356939601
Energy: 1.0558573694289666
Energy: 1.0314740849400448
Energy: 0.9508995253246714
Energy: 0.9876120950008729
Energy: 0.9508995253246714
Energy: 0.926745788835785
Energy: 1.0741209450168923
Energy: 0.9144052111650954
Energy: 1.0741209450168923
Energy: 0.9319026750087358
Energy: 0.9674387371670625
Energy: 0.9978372145127443
Energy: 0.9674387371660172
Energy: 0.9753374642619111
Energy: 1.0547891050490352
Energy: 0.9229549160756715
Energy: 1.0547891050490352
Energy: 0.9302398566763441
Energy: 1.073235717719378
Energy: 0.9818031871797439
Energy: 1.073235717719378
Energy: 1.031006480920154
Energy: 0.8962751452227521
Energy: 1.207690054430756
Energy: 0.8962751452227521
Energy: 1.0233359055965718
Energy: 0.8973221968063956
Energy: 1.2039651185283051
Energy: 0.8973221968063956
Energy: 0.9743655228715822
Energy: 1.0538567758504327
Energy: 0.9230823076903406
Energy: 1.0538567758514779
Energy: 0.9763947015627749
Energy: 1.072360298584017
Energy: 0.9819943849885896
Energy: 1.0723602985850622
Energy: 0.9268320622797889
Energy: 1.091545014851697
Energy: 0.947629130283616
Energy: 1.0915450148527424
Energy: 0.932887304984968
Energy: 1.0834829814844098
Energy: 0.9137788983438742
Energy: 1.083482981485455
Energy: 1.0032661127494704
Energy: 1.0120195416873352
Energy: 0.954059986980084
Energy: 1.01201954168629
Energy: 0.9342441333772025
Energy: 1.0551314843113018
Energy: 0.9632678880171454
Energy: 1.055131484312347
Energy: 1.0051385275088762
Energy: 0.9018729424757083
Energy: 1.0407095357789766
Energy: 0.9018729424757083
Energy: 1.2933241013447465
Energy: 1.0137180381278468
Energy: 0.9856806101920513
Energy: 1.0137180381268014
Energy: 1.0522141409835493
Energy: 1.0574671489783936
Energy: 1.061720493759432
Energy: 1.0574671489783936

minimum gb energy = 0.8962751452227521 eV
minimum distance =  2.29231565531699 Angstroms
sigma value = 89


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

Energy: 1.1167376847925097
Energy: 0.9596632030985943
Energy: 1.2176124399267687
Energy: 0.959663203098874
Energy: 0.9554112934688143
Energy: 1.0929739541857426
Energy: 0.9547782943028054
Energy: 1.0929739541860224
Energy: 1.0760967562360961
Energy: 0.9597023970170195
Energy: 0.8346684717473503
Energy: 0.9597023970172993
Energy: 0.898439774336487
Energy: 0.9743798936859382
Energy: 1.0020524045692065
Energy: 0.9743798936861868
Energy: 0.8879459880612149
Energy: 1.037225495180552
Energy: 0.9245770506624742
Energy: 1.037225495180552
Energy: 0.8868550226600787
Energy: 1.0473536278601008
Energy: 0.9250352809765704
Energy: 1.0473536278598523
Energy: 0.8887385467917236
Energy: 0.9598699241968984
Energy: 0.9242680723758127
Energy: 0.9598699241968984
Energy: 0.8878739974612784
Energy: 0.8875295738907139
Energy: 1.0466462645721806
Energy: 0.8875295738907139
Energy: 1.0753851833777046
Energy: 1.0359088674651915
Energy: 0.8248202298899364
Energy: 1.0359088674651915
Energy: 0.8880184299375159
Energy: 1.0363701122440456
Energy: 0.8434595602453054
Energy: 1.0363701122437659
Energy: 0.9459543467936828
Energy: 0.9047178554627385
Energy: 1.0466077448255924
Energy: 0.9047178554627385
Energy: 0.9478260460551126
Energy: 0.9603972971696404
Energy: 1.0475736061657444
Energy: 0.9603972971699202
Energy: 1.0755230729005263
Energy: 1.0359149695728862
Energy: 0.8247077914193013
Energy: 1.0359149695728862
Energy: 1.0758275650655953
Energy: 1.0345111332605559
Energy: 0.824191859257955
Energy: 1.0345111332605559
Energy: 0.8876662571768184
Energy: 0.9732578019495354
Energy: 0.9744925276827839
Energy: 0.9732578019495354

minimum gb energy = 0.824191859257955 eV
minimum distance =  2.32074227339347 Angstroms
sigma value = 13


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

Energy: 0.8756106932465842
Energy: 0.9407800337279703
Energy: 1.2026699641233258
Energy: 0.9407800337268242
Energy: 0.9331504371445908
Energy: 0.9730016637133972
Energy: 0.8499641322097261
Energy: 0.9730016637133972
Energy: 0.9928977239846114
Energy: 0.9397486880261066
Energy: 0.9769529247513552
Energy: 0.9397486880261066
Energy: 0.8883865513762176
Energy: 0.9212794718770454
Energy: 0.850077818318286
Energy: 0.9212794718770454
Energy: 0.8200848537319271
Energy: 0.9773187883036615
Energy: 0.9145285298127958
Energy: 0.9773187883036615
Energy: 0.9030681799651497
Energy: 0.9475998989611102
Energy: 0.8686226909906772
Energy: 0.9475998989611102
Energy: 0.8492505151488043
Energy: 0.9398271494354258
Energy: 0.8540209998614027
Energy: 0.9398271494354258
Energy: 0.8702394320105874
Energy: 0.8689959118267598
Energy: 0.8698711679440501
Energy: 0.8689959118267598
Energy: 0.907725621594019
Energy: 0.976573679933199
Energy: 0.8148240640544827
Energy: 0.976573679933199
Energy: 0.9148558877934835
Energy: 0.9767370324691906
Energy: 0.8872861235763015
Energy: 0.9767370324691906
Energy: 0.8549148078135235
Energy: 0.9395706469927975
Energy: 0.9872666005039684
Energy: 0.9395706469939438
Energy: 0.8504667595652691
Energy: 0.90981762408473
Energy: 0.8501193584191824
Energy: 0.90981762408473
Energy: 0.9359639102959352
Energy: 0.8833861222934085
Energy: 0.8615895500218568
Energy: 0.8833861222934085
Energy: 0.9188974235483054
Energy: 0.8820326433598844
Energy: 0.8893419118657323
Energy: 0.8820326433598844
Energy: 0.8549915148175293
Energy: 0.9393325818126562
Energy: 0.9851418393555138
Energy: 0.9393325818126562
Energy: 0.8481071121861777
Energy: 0.9384711049516057
Energy: 0.9921763660337304
Energy: 0.9384711049504595
Energy: 0.9268966521711637
Energy: 0.9765208838901333
Energy: 0.8151385177222251
Energy: 0.9765208838901333
Energy: 0.9136465345506205
Energy: 0.9755481958023734
Energy: 0.8862124632876388
Energy: 0.9755481958023734
Energy: 0.8492577015501671
Energy: 0.9419153710058155
Energy: 0.8554085394102167
Energy: 0.9419153710069618
Energy: 0.8554193695228464
Energy: 0.9421061011160683
Energy: 0.8492742984327811
Energy: 0.9421061011160683
Energy: 0.8859811973604191
Energy: 0.9756488916337448
Energy: 0.9145577490363572
Energy: 0.9756488916337448
Energy: 0.8151310226070546
Energy: 0.9764827887581002
Energy: 0.9268966521711637
Energy: 0.9764827887581002
Energy: 0.9921763660325842
Energy: 0.9384099775598289
Energy: 0.8480450143110596
Energy: 0.9384099775598289
Energy: 0.9851418393543677
Energy: 0.9396250356463857
Energy: 0.8549164296898626
Energy: 0.9396250356452394
Energy: 0.8900235320882021
Energy: 0.8822407823122721
Energy: 0.9186454806285663
Energy: 0.8822407823122721
Energy: 0.8610083331183168
Energy: 0.8832583676195643
Energy: 0.9359639102959352
Energy: 0.883258367618418
Energy: 0.8501243046803778
Energy: 0.9096610155490733
Energy: 0.850469406228891
Energy: 0.9096610155490733
Energy: 0.987266600501676
Energy: 0.9397100594051394
Energy: 0.8552207972209542
Energy: 0.9397100594051394
Energy: 0.8872601876103294
Energy: 0.9764616749188265
Energy: 0.9143234379763747
Energy: 0.9764616749188265
Energy: 0.8147837249418015
Energy: 0.9764758076170645
Energy: 0.9076982101173132
Energy: 0.9764758076159183
Energy: 0.8699468709174387
Energy: 0.8688864622759307
Energy: 0.8702189272020552
Energy: 0.8688864622759307
Energy: 0.854038678551707
Energy: 0.9399442011511406
Energy: 0.8492394285686531
Energy: 0.9399442011522867
Energy: 0.8684641144223071
Energy: 0.9484380302005709
Energy: 0.9030304777089088
Energy: 0.9484380301994246
Energy: 0.9145293779237816
Energy: 0.9772878424385468
Energy: 0.8201480766638459
Energy: 0.9772878424385468
Energy: 0.8500685403729384
Energy: 0.921184094634554
Energy: 0.8882082415408122
Energy: 0.921184094634554

minimum gb energy = 0.8147837249418015 eV
minimum distance =  2.36357027892847 Angstroms
sigma value = 37


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

Energy: 1.0318516698841607
Energy: 0.8670646706324662
Energy: 1.1527334662115027
Energy: 0.8670646706330712
Energy: 0.841672164424251
Energy: 0.9823738280043094
Energy: 0.8181316073555489
Energy: 0.9823738280041078
Energy: 1.0205925530644717
Energy: 0.8777582344913636
Energy: 0.7909885984486899
Energy: 0.8777582344911619
Energy: 0.8733868362591826
Energy: 0.9437805861334018
Energy: 0.811095703012759
Energy: 0.9437805861332002
Energy: 0.8023142267570657
Energy: 0.8765153666455331
Energy: 0.9480757115344333
Energy: 0.8765153666457123
Energy: 0.8664871293710168
Energy: 0.9027354071862993
Energy: 0.8301261213725111
Energy: 0.9027354071865009
Energy: 0.8387939220530808
Energy: 0.8785507758535462
Energy: 0.8034956771048426
Energy: 0.8785507758539273
Energy: 0.8368466005935195
Energy: 1.0405205330321867
Energy: 0.8311863865487594
Energy: 1.040520533031985
Energy: 0.8411447045448929
Energy: 0.8776122555356967
Energy: 0.8293173530448296
Energy: 0.8776122555356967
Energy: 0.865358911317346
Energy: 0.9019389308556697
Energy: 0.8311085491769372
Energy: 0.9019389308556697
Energy: 0.7776884469095635
Energy: 0.8767187704454206
Energy: 0.9240811261904613
Energy: 0.8767187704458017
Energy: 0.7735102292380899
Energy: 0.930613538304886
Energy: 0.859766835627078
Energy: 0.9306135383046844
Energy: 1.021460656214732
Energy: 0.8769087421873015
Energy: 0.8184846983674368
Energy: 0.8769087421880858
Energy: 0.8057872434641963
Energy: 0.8769114992688471
Energy: 0.8180498139301888
Energy: 0.8769114992686453
Energy: 0.806447366731351
Energy: 0.8656695689048916
Energy: 0.9475286593378088
Energy: 0.8656695689046899
Energy: 0.8063966507034129
Energy: 0.8435801560393531
Energy: 0.8980387553393575
Energy: 0.8435801560397341
Energy: 1.020926778843269
Energy: 0.876980218554406
Energy: 0.8183597297666569
Energy: 0.8769802185542266
Energy: 0.8416216728726102
Energy: 0.8761631053963502
Energy: 0.8222907036978413
Energy: 0.876163105396552
Energy: 0.777900313502429
Energy: 0.8766408555542078
Energy: 0.9476657700691388
Energy: 0.8766408555546112
Energy: 0.7699684444151655
Energy: 0.9291958446882542
Energy: 0.9483695251252928
Energy: 0.9291958446882542

minimum gb energy = 0.7699684444151655 eV
minimum distance =  2.31537569030901 Angstroms
sigma value = 25


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

Energy: 0.7965711038969439
Energy: 0.8126212489314207
Energy: 1.0391513149640441
Energy: 0.8126212489314207
Energy: 0.7788969447357317
Energy: 0.8725933539310422
Energy: 0.783741950612223
Energy: 0.8725933539295024
Energy: 0.9176682855518971
Energy: 0.8009137774688638
Energy: 0.7813853706216339
Energy: 0.8009137774688638
Energy: 0.751796431132645
Energy: 0.8377896548213766
Energy: 0.7900567668477565
Energy: 0.8377896548229166
Energy: 0.7458209886597026
Energy: 0.8062012585018724
Energy: 0.8529303553258619
Energy: 0.8062012585018724
Energy: 0.7416461573585926
Energy: 0.8376709326655332
Energy: 0.784407569711857
Energy: 0.8376709326655332
Energy: 0.7892265493323999
Energy: 0.8055255865661145
Energy: 0.7559600639043196
Energy: 0.8055255865661145
Energy: 0.7700259324317361
Energy: 0.8136703360893555
Energy: 0.775268980494119
Energy: 0.8136703360893555
Energy: 0.7605058795076403
Energy: 0.8059561701526066
Energy: 0.7851258960331376
Energy: 0.8059561701526066
Energy: 0.7720081495419323
Energy: 0.8982084278568013
Energy: 0.7713639531517151
Energy: 0.8982084278568013
Energy: 0.7523670466201158
Energy: 0.805351122499547
Energy: 0.7925553190820485
Energy: 0.805351122499547
Energy: 0.7517813648686095
Energy: 0.8123613069079582
Energy: 0.774118904332357
Energy: 0.8123613069079582
Energy: 0.7915925629986112
Energy: 0.8057139234281749
Energy: 0.7152579224859331
Energy: 0.8057139234281749
Energy: 0.7873573503545325
Energy: 0.8365632173984039
Energy: 0.714882600423354
Energy: 0.8365632173984039
Energy: 0.6957774153974141
Energy: 0.8052670421461574
Energy: 0.854949766329644
Energy: 0.8052670421461574
Energy: 0.7573601749773092
Energy: 0.805688206202231
Energy: 0.7884875123575208
Energy: 0.805688206202231
Energy: 0.9143172979263323
Energy: 0.7995755169029158
Energy: 0.719267842111568
Energy: 0.7995755169029158
Energy: 0.7756973818878279
Energy: 0.8106808015718739
Energy: 0.746380762385947
Energy: 0.8106808015718739
Energy: 0.7328866118293137
Energy: 0.8114479086450521
Energy: 0.8564160182011443
Energy: 0.8114479086450521
Energy: 0.7769048120876827
Energy: 0.779580586186929
Energy: 0.7800671751915245
Energy: 0.779580586186929
Energy: 0.9147913301090334
Energy: 0.7996392739918691
Energy: 0.7196003799200857
Energy: 0.7996392739918691
Energy: 0.8111609695086105
Energy: 0.7923701595475859
Energy: 0.7464803934053269
Energy: 0.7923701595475859
Energy: 0.695755841781697
Energy: 0.8052834347796214
Energy: 0.8562278457103445
Energy: 0.8052834347796214
Energy: 0.7578904421668421
Energy: 0.8060298069191076
Energy: 0.7715805769524144
Energy: 0.8060298069191076
Energy: 0.7923923545171603
Energy: 0.8057188711615342
Energy: 0.7153983917231372
Energy: 0.8057188711615342
Energy: 0.8362926041787055
Energy: 0.8370341381497493
Energy: 0.7120452836313741
Energy: 0.8370341381497493

minimum gb energy = 0.695755841781697 eV
minimum distance =  2.32081774398581 Angstroms
sigma value = 41


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

Energy: 0.7639244104159938
Energy: 0.7614196137264205
Energy: 0.9465096159385187
Energy: 0.7614196137264205
Energy: 0.7503111728858507
Energy: 0.8419180860220546
Energy: 0.7110370271126593
Energy: 0.8419180860207922
Energy: 0.8373649264633575
Energy: 0.7501556282526368
Energy: 0.7173082402017044
Energy: 0.7501556282526368
Energy: 0.7165990636637745
Energy: 0.7600175040666067
Energy: 0.7113835687593312
Energy: 0.7600175040666067
Energy: 0.7133585319991803
Energy: 0.7442972110002535
Energy: 0.7849567633503371
Energy: 0.744297211001516
Energy: 0.7166588129906717
Energy: 0.7985768945534478
Energy: 0.7013051913467558
Energy: 0.7985768945521853
Energy: 0.7764319036948688
Energy: 0.7476087979664653
Energy: 0.6920881080670269
Energy: 0.7476087979664653
Energy: 0.7111365773676288
Energy: 0.7012418173010183
Energy: 0.6908376169097711
Energy: 0.7012418173010183
Energy: 0.702792962436892
Energy: 0.747259442962394
Energy: 0.7407063606320886
Energy: 0.747259442962394
Energy: 0.7115330614037578
Energy: 0.7429082116760237
Energy: 0.7091683588955849
Energy: 0.7429082116760237
Energy: 0.7067497191762656
Energy: 0.7471126217024476
Energy: 0.7285119259731604
Energy: 0.7471126217024476
Energy: 0.7273280470514008
Energy: 0.7324001181188879
Energy: 0.7094949940281163
Energy: 0.7324001181188879
Energy: 0.7456903060598797
Energy: 0.7468995943027857
Energy: 0.6754590088590579
Energy: 0.7468995943027857
Energy: 0.7121189089072255
Energy: 0.7448728631910918
Energy: 0.709768539461623
Energy: 0.7448728631898294
Energy: 0.6631722906795922
Energy: 0.7470431545137401
Energy: 0.7435259724943021
Energy: 0.7470431545137401
Energy: 0.6633015749904053
Energy: 0.7660433294651103
Energy: 0.7352978417605691
Energy: 0.7660433294651103
Energy: 0.7801831927576857
Energy: 0.7476758908631406
Energy: 0.6529083540680014
Energy: 0.7476758908631406
Energy: 0.7143333596405894
Energy: 0.7477779802915306
Energy: 0.7035279925528856
Energy: 0.7477779802915306
Energy: 0.6970346982667819
Energy: 0.7429308067021698
Energy: 0.7873023896467917
Energy: 0.7429308067021698
Energy: 0.6971591897831212
Energy: 0.73833227153466
Energy: 0.7576768182918624
Energy: 0.7383322715333975
Energy: 0.8352118523074444
Energy: 0.7496268111587452
Energy: 0.6694229556364365
Energy: 0.7496268111587452
Energy: 0.7524027085219145
Energy: 0.7384330446642082
Energy: 0.7149832670786322
Energy: 0.7384330446642082
Energy: 0.7076980087752797
Energy: 0.762018697409007
Energy: 0.788285901014023
Energy: 0.762018697409007
Energy: 0.7198035766044448
Energy: 0.7431474071436007
Energy: 0.7570937350960592
Energy: 0.7431474071436007
Energy: 0.8408714692238117
Energy: 0.749712448215465
Energy: 0.6696079372508349
Energy: 0.749712448215465
Energy: 0.7162935496849252
Energy: 0.7491629039407965
Energy: 0.7095902772168319
Energy: 0.749162903942059
Energy: 0.6966713833706921
Energy: 0.742791798410667
Energy: 0.788334839883579
Energy: 0.742791798410667
Energy: 0.6890927479309821
Energy: 0.7540485026977456
Energy: 0.7355850121950629
Energy: 0.7540485026977456
Energy: 0.775511145615741
Energy: 0.7471639399027723
Energy: 0.6531019995650457
Energy: 0.7471639399040347
Energy: 0.7155548061264566
Energy: 0.7462510413357393
Energy: 0.6943750352793477
Energy: 0.7462510413357393
Energy: 0.6635040389607142
Energy: 0.7470643370155708
Energy: 0.7415685764839761
Energy: 0.7470643370168333
Energy: 0.6897391767422002
Energy: 0.765248546454815
Energy: 0.7502379448972508
Energy: 0.765248546454815

minimum gb energy = 0.6529083540680014 eV
minimum distance =  2.32732348750205 Angstroms
sigma value = 15


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

Energy: 0.7117854932145662
Energy: 0.7150333370911784
Energy: 0.8744250948558336
Energy: 0.7150333370901091
Energy: 0.6983382838006718
Energy: 0.7745983954877563
Energy: 0.6930221499323447
Energy: 0.7745983954920341
Energy: 0.7747187825297849
Energy: 0.7081232778056701
Energy: 0.9462135968229373
Energy: 0.7081232778056701
Energy: 0.6644539330613064
Energy: 0.7555116624492169
Energy: 0.6932415823781911
Energy: 0.7555116624492169
Energy: 0.940130539404242
Energy: 0.7037992555082024
Energy: 0.7328267886553598
Energy: 0.7037992555082024
Energy: 0.6642881671707532
Energy: 0.6932722978367059
Energy: 0.6686680412041139
Energy: 0.6932722978367059
Energy: 0.7247378189056245
Energy: 0.695079239389959
Energy: 0.8572231157007426
Energy: 0.6950792393888895
Energy: 0.6546494429208667
Energy: 0.7371471791131696
Energy: 0.6687262590348831
Energy: 0.7371471791131696
Energy: 0.8576790827108575
Energy: 0.6980477844152453
Energy: 0.7003046064062397
Energy: 0.6980477844152453
Energy: 0.654434836823436
Energy: 0.6553848299116223
Energy: 0.6684032816791842
Energy: 0.6553848299105528
Energy: 0.700191804561527
Energy: 0.6975465846279718
Energy: 0.7880320198055645
Energy: 0.6975465846279718
Energy: 0.6670668754556647
Energy: 0.6820479058311126
Energy: 0.6684265279354888
Energy: 0.6820479058311126
Energy: 0.7946384437017738
Energy: 0.6977708841170192
Energy: 0.6857288638084859
Energy: 0.6977708841170192
Energy: 0.6671979274895458
Energy: 0.7330656254010777
Energy: 0.6764366585482537
Energy: 0.7330656254010777
Energy: 0.6475086190345963
Energy: 0.6980326037209867
Energy: 0.7413960946624416
Energy: 0.6980326037209867
Energy: 0.6671567660056645
Energy: 0.7324128803688184
Energy: 0.6690830744326937
Energy: 0.7324128803688184
Energy: 0.7575894851112228
Energy: 0.6980597224772482
Energy: 0.6409998648235583
Energy: 0.6980597224772482
Energy: 0.681596133045169
Energy: 0.7109114165627232
Energy: 0.6598924543666214
Energy: 0.7109114165616536
Energy: 0.6225098070668776
Energy: 0.6980457859901018
Energy: 0.7025740029162163
Energy: 0.6980457859901018
Energy: 0.6666700262878471
Energy: 0.7164480585797256
Energy: 0.6665958174147573
Energy: 0.7164480585797256
Energy: 0.7268093722908259
Energy: 0.6951332378217003
Energy: 0.6243033640138927
Energy: 0.6951332378217003
Energy: 0.6934165517867832
Energy: 0.6867028739720299
Energy: 0.6610822372387115
Energy: 0.6867028739720299
Energy: 0.6650524552369814
Energy: 0.7004013655310196
Energy: 0.7339875233414216
Energy: 0.7004013655310196
Energy: 0.667228491551876
Energy: 0.7069701537916712
Energy: 0.6893849558340699
Energy: 0.7069701537906018
Energy: 0.7729131370333445
Energy: 0.7070698623470975
Energy: 0.6417067394014431
Energy: 0.7070698623470975
Energy: 0.7226019703416964
Energy: 0.7064227921677022
Energy: 0.6736380402365798
Energy: 0.7064227921677022
Energy: 0.662609162977232
Energy: 0.7154743364853806
Energy: 0.7348660143032731
Energy: 0.7154743364853806
Energy: 0.6936259322984225
Energy: 0.7111945823604171
Energy: 0.689155532738625
Energy: 0.7111945823604171
Energy: 0.7897043647226896
Energy: 0.7076159062509693
Energy: 0.6415699520109033
Energy: 0.7076159062509693
Energy: 0.6936910173646003
Energy: 0.6865130996489347
Energy: 0.67356036052536
Energy: 0.6865130996489347
Energy: 0.6652867740258401
Energy: 0.7008695046638522
Energy: 0.7348302128330296
Energy: 0.7008695046649218
Energy: 0.6687373877130529
Energy: 0.6924879912166556
Energy: 0.6668547824769891
Energy: 0.6924879912177251
Energy: 0.7241268228818584
Energy: 0.6946717470699394
Energy: 0.6241611637316172
Energy: 0.6946717470699394
Energy: 0.6808756977592128
Energy: 0.7033094530708908
Energy: 0.653043161393215
Energy: 0.7033094530708908
Energy: 0.6224959872653777
Energy: 0.6979355696856813
Energy: 0.7216435568123115
Energy: 0.6979355696856813
Energy: 0.6573522397778349
Energy: 0.716211009320873
Energy: 0.6689612276924228
Energy: 0.716211009320873
Energy: 0.6948031012097323
Energy: 0.6974085461192754
Energy: 0.6298799436817937
Energy: 0.697408546118206

minimum gb energy = 0.6224959872653777 eV
minimum distance =  2.33269514533517 Angstroms
sigma value = 85


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

Energy: 0.6880603720919711
Energy: 0.6597676224757355
Energy: 0.7686136973214729
Energy: 0.6597676224757355
Energy: 0.6257407735358537
Energy: 0.7030689463182151
Energy: 0.615779115509333
Energy: 0.7030689463182151
Energy: 0.7126670678502403
Energy: 0.6612120704998015
Energy: 0.6609376606702653
Energy: 0.6612120704998015
Energy: 0.6044368653846334
Energy: 0.698769547214932
Energy: 0.6157346373997952
Energy: 0.698769547214932
Energy: 0.7070374991774305
Energy: 0.633102881141054
Energy: 0.6765659184018643
Energy: 0.6331028811401264
Energy: 0.6043271144554888
Energy: 0.6931651208319325
Energy: 0.5994396733672666
Energy: 0.6931651208319325
Energy: 0.6734210804378781
Energy: 0.6364816367709297
Energy: 0.6818440510222739
Energy: 0.6364816367700021
Energy: 0.6060075754678906
Energy: 0.6211937579407872
Energy: 0.6009580410305086
Energy: 0.6211937579407872
Energy: 0.6634293417221732
Energy: 0.6251010852787784
Energy: 0.6767084827487012
Energy: 0.6251010852778508
Energy: 0.606703917595029
Energy: 0.7195875957678076
Energy: 0.6038722930526811
Energy: 0.7195875957678076
Energy: 0.6343762049347265
Energy: 0.6252902240839209
Energy: 0.6543503461411456
Energy: 0.6252902240848485
Energy: 0.6256375964073534
Energy: 0.65493031149885
Energy: 0.6033582505411406
Energy: 0.65493031149885
Energy: 0.6343842543961206
Energy: 0.6251815133102779
Energy: 0.637506499590025
Energy: 0.6251815133102779
Energy: 0.6254968437217693
Energy: 0.658657292837839
Energy: 0.6245849064001602
Energy: 0.6586572928387666
Energy: 0.6234681063957301
Energy: 0.6253939418654847
Energy: 0.6396586887501594
Energy: 0.6253939418654847
Energy: 0.6242161455363641
Energy: 0.6871773558840073
Energy: 0.6244374426927372
Energy: 0.6871773558830798
Energy: 0.6219192965131081
Energy: 0.6254428572507992
Energy: 0.6076501757814856
Energy: 0.6254428572507992
Energy: 0.6257043748587587
Energy: 0.687121020958583
Energy: 0.6244789917097548
Energy: 0.687121020958583
Energy: 0.5732479454379192
Energy: 0.6255874669070451
Energy: 0.6460848152592744
Energy: 0.6255874669070451
Energy: 0.6109312997202114
Energy: 0.6531516429831454
Energy: 0.6278193895720438
Energy: 0.6531516429831454
Energy: 0.6343230690912607
Energy: 0.6251281603552566
Energy: 0.604083467944603
Energy: 0.6251281603552566
Energy: 0.6058035450801372
Energy: 0.6517178371250876
Energy: 0.6150304663486256
Energy: 0.6517178371241601
Energy: 0.5744943233490779
Energy: 0.6252044997140169
Energy: 0.6760492151907469
Energy: 0.6252044997140169
Energy: 0.5975536848344589
Energy: 0.6203234446028918
Energy: 0.610700673457746
Energy: 0.6203234446028918
Energy: 0.6748648074902645
Energy: 0.6353838820509683
Energy: 0.5759126301234024
Energy: 0.6353838820509683
Energy: 0.605109653901611
Energy: 0.6167177905344271
Energy: 0.5995076669998086
Energy: 0.6167177905344271
Energy: 0.5894665376151946
Energy: 0.6333531266755082
Energy: 0.6777056727817251
Energy: 0.6333531266755082
Energy: 0.6078132242881483
Energy: 0.6178131751954752
Energy: 0.6123517465656246
Energy: 0.6178131751954752
Energy: 0.7114024365826513
Energy: 0.661734952372185
Energy: 0.596422371117699
Energy: 0.6617349523712575
Energy: 0.6261254226870888
Energy: 0.6186875271509109
Energy: 0.6156043012602629
Energy: 0.6186875271509109
Energy: 0.6276027573927583
Energy: 0.6599668704011433
Energy: 0.6785096579629678
Energy: 0.6599668704011433
Energy: 0.6407475018524276
Energy: 0.6183060059932041
Energy: 0.6125200394358914
Energy: 0.6183060059932041
Energy: 0.7118706487695206
Energy: 0.6619045658789738
Energy: 0.596326054891474
Energy: 0.6619045658789738
Energy: 0.6054084759023379
Energy: 0.6103091014745085
Energy: 0.6155274777218934
Energy: 0.6103091014745085
Energy: 0.5884956659473138
Energy: 0.6334483408471773
Energy: 0.6783535919602963
Energy: 0.6334483408471773
Energy: 0.6077100769737922
Energy: 0.6151731431980922
Energy: 0.610697982607385
Energy: 0.6151731431980922
Energy: 0.6728022091173422
Energy: 0.6355248145444005
Energy: 0.5757604520237498
Energy: 0.635524814543473
Energy: 0.6061012991944497
Energy: 0.6232202741724283
Energy: 0.5994410013199195
Energy: 0.6232202741724283
Energy: 0.5749171233011467
Energy: 0.6254118321627461
Energy: 0.675218637551324
Energy: 0.6254118321627461
Energy: 0.5986660875137528
Energy: 0.6260102503401787
Energy: 0.6276645117826387
Energy: 0.6260102503392512
Energy: 0.6340020637451648
Energy: 0.6250249203226088
Energy: 0.6041252835642303
Energy: 0.6250249203226088
Energy: 0.6257558316413488
Energy: 0.6509516305272071
Energy: 0.6047345463035897
Energy: 0.6509516305272071
Energy: 0.5734682600775737
Energy: 0.6277969471042685
Energy: 0.6420076015934969
Energy: 0.6277969471042685

minimum gb energy = 0.5732479454379192 eV
minimum distance =  2.3345598216541 Angstroms
sigma value = 113


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

Energy: 0.015042786699215003
Energy: 0.015358857991065584
Energy: 1.132251922965461
Energy: 0.015358857991065584
Energy: 0.015555654874568082
Energy: 0.570767761914863
Energy: 0.015555654871082021
Energy: 0.570767761914863
Energy: 1.4267318237314681
Energy: 0.015358857991778642
Energy: 0.015042786699215003
Energy: 0.015358857991778642
Energy: 0.015555654894771396
Energy: 0.570767761914863
Energy: 0.015555654959580452
Energy: 0.570767761914863
Energy: 0.015042786699215003
Energy: 0.015358857991778642
Energy: 1.132251922965461
Energy: 0.015358857991778642
Energy: 0.015555654942189759
Energy: 0.570767761914863
Energy: 0.015555654889225388
Energy: 0.570767761914863

minimum gb energy = 0.015042786699215003 eV
minimum distance =  2.43819146525656 Angstroms
sigma value = 1