Model name: model_name=MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098572611809
cohesive_energy=4.242432871290793
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: 0.016433622438997222
Energy: 0.017120533245829052
Energy: 0.016790580742127654
Energy: 0.017120533245829052
Energy: 0.017120533245829052
Energy: 1.2139707197229843
Energy: 0.017120533245829052
Energy: 1.2139707197229843
Energy: 0.016790580742721307
Energy: 0.017120533245829052
Energy: 0.016433622438997222
Energy: 0.017120533245829052
Energy: 0.017120533245829052
Energy: 1.2139707197229843
Energy: 0.017120533245829052
Energy: 1.2139707197229843

minimum gb energy = 0.016433622438997222 eV
minimum distance =  2.48817325426063 Angstroms
sigma value = 1


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

Energy: 0.9934780910320086
Energy: 1.0980983987219122
Energy: 0.8535678767473601
Energy: 1.0980983987219122
Energy: 0.9565054935767526
Energy: 1.0882656596024236
Energy: 0.9578639290191123
Energy: 1.0882656596024236
Energy: 0.9362765674912826
Energy: 1.0856354968349915
Energy: 0.947882968773632
Energy: 1.0856354968357538
Energy: 0.9380274192400454
Energy: 1.107619561471873
Energy: 0.9497361506004556
Energy: 1.1076195614711106
Energy: 0.9423922919303913
Energy: 1.1012075092318092
Energy: 0.9484559103517287
Energy: 1.1012075092325715
Energy: 0.8958366891387624
Energy: 1.292825918076102
Energy: 0.9274716636630522
Energy: 1.292825918073815
Energy: 0.9601163604145394
Energy: 1.086899540365998
Energy: 0.8970201597778322
Energy: 1.0868995403644732
Energy: 0.8175033765601369
Energy: 1.0997865706822316
Energy: 0.9171404248095808
Energy: 1.0997865706822316
Energy: 0.9481273830545028
Energy: 0.9538182221108606
Energy: 0.9542127736137442
Energy: 0.9538182221154345
Energy: 0.929945643919032
Energy: 1.0859557557954769
Energy: 0.802428536968135
Energy: 1.0859557557947148
Energy: 0.9527053285451045
Energy: 1.0454731829272663
Energy: 0.9480949810030839
Energy: 1.0454731829280286
Energy: 0.9006010689039844
Energy: 1.0996115729536042
Energy: 0.9479531605579385
Energy: 1.0996115729536042
Energy: 0.9565620184839805
Energy: 1.0884383331872276
Energy: 0.9600992080032418
Energy: 1.0884383331872276
Energy: 0.9588548058400502
Energy: 1.0929724789958084
Energy: 0.9434725592888226
Energy: 1.0929724789958084
Energy: 0.952478316467723
Energy: 1.1026213716033528
Energy: 0.949669355728562
Energy: 1.1026213716025903
Energy: 0.9414817209777967
Energy: 1.0981058407126503
Energy: 0.9488544665451546
Energy: 1.098105840711888
Energy: 0.9480716825059717
Energy: 1.0856157424267914
Energy: 0.8750399043645593
Energy: 1.0856157424260289
Energy: 0.9585090257173524
Energy: 1.0853819920053842
Energy: 0.9578318710004937
Energy: 1.0853819920053842
Energy: 0.8206777685258487
Energy: 1.099384262209657
Energy: 0.9542703879318264
Energy: 1.0993842622104195
Energy: 0.9623918662471559
Energy: 0.9534138516878413
Energy: 0.9494267306315505
Energy: 0.9534138516901283
Energy: 0.9283026895307196
Energy: 1.0854625038486547
Energy: 0.8708872607551342
Energy: 1.0854625038478924
Energy: 0.9486132320676318
Energy: 1.3036785439795813
Energy: 0.9409978573090355
Energy: 1.3036785439788188
Energy: 0.94909024254008
Energy: 1.1011718571023321
Energy: 0.8803595726470937
Energy: 1.1011718571015696
Energy: 0.9356589523552487
Energy: 1.0882134887223631
Energy: 0.895803625205792
Energy: 1.0882134887223631
Energy: 0.8968999445219383
Energy: 1.2968373620090425
Energy: 0.9596477645623043
Energy: 1.2968373620090425
Energy: 0.943961633611871
Energy: 1.0995968603272137
Energy: 0.8811420606813257
Energy: 1.0995968603272137
Energy: 0.9515775377712978
Energy: 1.0893802391451304
Energy: 0.9484728102169789
Energy: 1.089380239146655
Energy: 0.8706985282004255
Energy: 1.08466986460576
Energy: 0.9485894578897323
Energy: 1.08466986460576
Energy: 0.9555539817210369
Energy: 1.0949974078254348
Energy: 0.9522784691272493
Energy: 1.0949974078254348
Energy: 0.9636819435818199
Energy: 1.0989798708777918
Energy: 0.9009347841321158
Energy: 1.0989798708777918
Energy: 0.9619404713636048
Energy: 1.091558208086497
Energy: 0.9567393548356404
Energy: 1.091558208088022
Energy: 0.9423568888370897
Energy: 1.0870968455444097
Energy: 0.9506795436497743
Energy: 1.0870968455436472
Energy: 0.9415117998118914
Energy: 1.1065950076247142
Energy: 0.9516028019443
Energy: 1.1065950076247142

minimum gb energy = 0.802428536968135 eV
minimum distance =  2.27866443060626 Angstroms
sigma value = 1


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

Energy: 1.0651773492391048
Energy: 1.1845212370447666
Energy: 0.912105984924108
Energy: 1.1845212370447666
Energy: 1.0102823269829795
Energy: 1.1218127017819337
Energy: 1.011912848581432
Energy: 1.121812701777588
Energy: 0.9286545268312093
Energy: 1.1841202409856586
Energy: 1.0214155079445613
Energy: 1.184120240984789
Energy: 1.0046021488608772
Energy: 1.1061499625340485
Energy: 0.9558309935220122
Energy: 1.1061499625349178
Energy: 1.0046140137966977
Energy: 1.1669170622513765
Energy: 1.009172653026566
Energy: 1.1669170622539844
Energy: 0.989951439466708
Energy: 1.1661093890065461
Energy: 0.9747165584558066
Energy: 1.1661093890048078
Energy: 1.009912340900594
Energy: 1.105773933113685
Energy: 1.0165413198973716
Energy: 1.1057739331119467
Energy: 0.8543481439692836
Energy: 1.1838373468237877
Energy: 0.9302105981793453
Energy: 1.1838373468229186
Energy: 1.005143048569848
Energy: 1.0261252039757967
Energy: 1.015677685693047
Energy: 1.0261252039766657
Energy: 1.011982925397845
Energy: 1.1839872318519287
Energy: 0.9131268862661894
Energy: 1.1839872318545361
Energy: 1.0096730096183497
Energy: 1.1063659839675302
Energy: 1.024513890395583
Energy: 1.1063659839675302
Energy: 0.931036860333274
Energy: 1.1723899766943817
Energy: 1.0219024083239923
Energy: 1.172389976691774
Energy: 1.0233637289473472
Energy: 1.162426740860363
Energy: 1.0062768799843989
Energy: 1.1624267408629705
Energy: 1.0233026667855445
Energy: 1.1624171887714256
Energy: 1.0114631712055064
Energy: 1.1624171887696872
Energy: 0.930998667107526
Energy: 1.172602323655675
Energy: 1.0218292361278498
Energy: 1.172602323654806
Energy: 1.0096832115029994
Energy: 1.1060153845649467
Energy: 1.0165754576277535
Energy: 1.1060153845675544
Energy: 1.0076326551842938
Energy: 1.1837668204412934
Energy: 0.8758986671369827
Energy: 1.1837668204404244
Energy: 1.0051838156651545
Energy: 1.0272733020960094
Energy: 1.0157288913303473
Energy: 1.0272733020960094
Energy: 0.8544593274045964
Energy: 1.1842060649702206
Energy: 0.9603533625256696
Energy: 1.1842060649693513
Energy: 1.0096291829853963
Energy: 1.1052165582892266
Energy: 0.9534558535111707
Energy: 1.1052165582874882
Energy: 0.9896361579395713
Energy: 1.1620964693743197
Energy: 1.00556767112003
Energy: 1.1620964693743197
Energy: 1.0046704571716847
Energy: 1.166623585955566
Energy: 1.0019905603176327
Energy: 1.1666235859564351
Energy: 1.0045058816523957
Energy: 1.1069900211259058
Energy: 1.0169879045130037
Energy: 1.106990021126775
Energy: 0.9286151342469813
Energy: 1.1838430297410338
Energy: 1.021236471212789
Energy: 1.183843029741903
Energy: 1.0100985528703033
Energy: 1.122125175020192
Energy: 1.0121476244572598
Energy: 1.122125175021061
Energy: 1.065177349235628
Energy: 1.1845212370438976
Energy: 0.9433256872800088
Energy: 1.1845212370438976
Energy: 1.010282326980372
Energy: 1.1218127017784572
Energy: 1.011912848582301
Energy: 1.1218127017784572
Energy: 0.9286545268312093
Energy: 1.1841202409856586
Energy: 1.0061582970402339
Energy: 1.1841202409839198
Energy: 1.0046021488608772
Energy: 1.1061499625418711
Energy: 0.9456775251085847
Energy: 1.1061499625418711

minimum gb energy = 0.8543481439692836 eV
minimum distance =  2.27521494920346 Angstroms
sigma value = 25


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

Energy: 1.140926823186812
Energy: 1.2591992023838912
Energy: 0.9834662798007615
Energy: 1.2591992023828809
Energy: 1.1018405735298633
Energy: 1.2198962375531142
Energy: 1.0895305419637715
Energy: 1.2198962375531142
Energy: 1.0016442032975088
Energy: 1.2902323094214032
Energy: 1.093804522075665
Energy: 1.290232309420393
Energy: 1.073995529582569
Energy: 1.2454284085000045
Energy: 1.024336549425043
Energy: 1.2454284085000045
Energy: 1.0240356254480367
Energy: 1.2581549217934125
Energy: 1.0156008466115494
Energy: 1.2581549217934125
Energy: 1.080583531325754
Energy: 1.2911921797500103
Energy: 1.0997894353240196
Energy: 1.2911921797500103
Energy: 1.1028656088890627
Energy: 1.0991732172228506
Energy: 1.0582843099297683
Energy: 1.099173217223861
Energy: 1.0216811808406767
Energy: 1.2633328019482244
Energy: 0.9485840426436968
Energy: 1.263332801949235
Energy: 1.0585083985583144
Energy: 1.1873339263952973
Energy: 1.1026942916277198
Energy: 1.1873339263952973
Energy: 1.1005203083336783
Energy: 1.2915473723900095
Energy: 1.0072664274718766
Energy: 1.2915473723889992
Energy: 1.0857102631233995
Energy: 1.2579621258249738
Energy: 1.0906383534493964
Energy: 1.2579621258259843
Energy: 1.0302620502097004
Energy: 1.2604947798550123
Energy: 1.0892935284408942
Energy: 1.2604947798550123
Energy: 1.0939183991132473
Energy: 1.2133577012665244
Energy: 1.0078314226527316
Energy: 1.2133577012675347
Energy: 1.055884393106357
Energy: 1.1016206588458672
Energy: 1.1024531948329834
Energy: 1.1016206588468775
Energy: 0.9195371630445706
Energy: 1.2588134685939212
Energy: 0.9461866675280284
Energy: 1.2588134685939212
Energy: 1.0984458122440606
Energy: 1.099073901341071
Energy: 1.0259152366987383
Energy: 1.099073901341071
Energy: 0.9166610896178816
Energy: 1.2903607944756716
Energy: 0.9166480451338607
Energy: 1.2903607944756716
Energy: 1.024229723103253
Energy: 1.2593046544637938
Energy: 1.076468315787796
Energy: 1.2593046544637938
Energy: 1.008060178697643
Energy: 1.2436632414671849
Energy: 1.0231378537234297
Energy: 1.2436632414671849
Energy: 1.0991086482794983
Energy: 1.2907344408285293
Energy: 1.094121062496635
Energy: 1.2907344408285293
Energy: 1.1070950964347117
Energy: 1.2236952392795593
Energy: 1.0922475912111607
Energy: 1.2236952392795593
Energy: 1.1368371466641505
Energy: 1.260439547605691
Energy: 1.0497502387741449
Energy: 1.260439547605691
Energy: 1.098663069060391
Energy: 1.199219789784251
Energy: 1.089997036649512
Energy: 1.199219789784251
Energy: 1.0002154313245053
Energy: 1.294834804465389
Energy: 1.0991121805252888
Energy: 1.294834804465389
Energy: 1.090680649662581
Energy: 1.1167913522041495
Energy: 1.0242972274517625
Energy: 1.1167913522021287

minimum gb energy = 0.9166480451338607 eV
minimum distance =  2.27710981943294 Angstroms
sigma value = 9


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

Energy: 1.2859600936608666
Energy: 1.3088767161221198
Energy: 1.1121555991086531
Energy: 1.3088767161221198
Energy: 1.1522025606385227
Energy: 1.3042829015835882
Energy: 1.191920802482112
Energy: 1.3042829015823827
Energy: 1.0848459044314462
Energy: 1.312476392405993
Energy: 1.1086619393842603
Energy: 1.3124763924071983
Energy: 1.2166468029853508
Energy: 1.3728736871097698
Energy: 1.0374096776405655
Energy: 1.3728736871085643
Energy: 1.1895027332361265
Energy: 1.300998842881636
Energy: 1.1081378074100567
Energy: 1.300998842881636
Energy: 0.987190849086749
Energy: 1.2156279640320728
Energy: 1.1291623929062038
Energy: 1.2156279640188141
Energy: 1.22267794542741
Energy: 1.0377338770227889
Energy: 1.041639061115217
Energy: 1.037733877023994
Energy: 1.0684528801766318
Energy: 1.2152581833655351
Energy: 1.033088378288362
Energy: 1.2152581833703564
Energy: 1.2171727870208824
Energy: 1.304375995425667
Energy: 1.1980384473540702
Energy: 1.3043759954244618
Energy: 1.220372779509929
Energy: 1.2173777975299225
Energy: 1.1282251662344245
Energy: 1.2173777975251012
Energy: 1.1035146498534527
Energy: 1.3358856418449139
Energy: 1.1519295061044716
Energy: 1.3358856418449139
Energy: 1.2189964067160748
Energy: 1.3261972565772728
Energy: 1.037240193971812
Energy: 1.3261972565772728
Energy: 0.9880197780888782
Energy: 1.2302340026470917
Energy: 1.0832123120570691
Energy: 1.2302340026458862
Energy: 1.1087001887987034
Energy: 1.2165550765968314
Energy: 1.193853080399786
Energy: 1.2165550765968314
Energy: 0.9880130517968415
Energy: 1.2312555508186427
Energy: 1.0686743409804642
Energy: 1.2312555508186427
Energy: 1.2182502026199467
Energy: 1.2350706410929189
Energy: 1.0376342673351895
Energy: 1.2350706792381647
Energy: 1.1037184880580961
Energy: 1.3359238962526063
Energy: 1.1087246830403101
Energy: 1.3359238962526063
Energy: 1.2206671341413915
Energy: 1.2735726318874412
Energy: 1.1286671157108124
Energy: 1.2735726318958511
Energy: 1.217125578227606
Energy: 1.3043685991078577
Energy: 1.1233232698720343
Energy: 1.3043685991066525
Energy: 1.0684441923512475
Energy: 1.2150877844394823
Energy: 1.0330409082540968
Energy: 1.2150877094393044
Energy: 1.2226959777836521
Energy: 1.0375183524592075
Energy: 1.0421912984809318
Energy: 1.0375183524592075

minimum gb energy = 0.987190849086749 eV
minimum distance =  2.3292140095079 Angstroms
sigma value = 25


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

Energy: 1.1228992535024032
Energy: 1.441333046609337
Energy: 1.2434230734717207
Energy: 1.441333046609337
Energy: 1.0972469757263015
Energy: 1.4554277616114464
Energy: 1.0736260445123984
Energy: 1.4554277616114464
Energy: 1.0756495896174845
Energy: 1.4756430081755751
Energy: 1.0736769043182877
Energy: 1.4756430081755751
Energy: 1.1191319411962515
Energy: 1.4420370636917237
Energy: 1.159628922774491
Energy: 1.4420370636917237
Energy: 1.162210200492061
Energy: 1.094644083232501
Energy: 1.1251424259216636
Energy: 1.094644083232501
Energy: 1.0758187628568967
Energy: 1.4749422961003544
Energy: 1.0795849327894314
Energy: 1.4749422961003544
Energy: 1.1243014040040995
Energy: 1.2793851744310578
Energy: 1.074786580655602
Energy: 1.2793851744310578
Energy: 1.1595802648778493
Energy: 1.4392699037709054
Energy: 1.117522762979057
Energy: 1.4392699037709054
Energy: 1.073592480366303
Energy: 1.2887413207423726
Energy: 1.0988279804542207
Energy: 1.288741320740882
Energy: 1.2206552096846004
Energy: 1.314237221182547
Energy: 1.0792565079251446
Energy: 1.314237221182547
Energy: 1.0937010423742315
Energy: 1.4413259011169268
Energy: 1.234024056821704
Energy: 1.4413259011169268
Energy: 1.0734976568896824
Energy: 1.1317089452763094
Energy: 1.2262470079256662
Energy: 1.1317089452763094
Energy: 1.1829652366522152
Energy: 1.4754845985787102
Energy: 1.075009793073608
Energy: 1.4754845985787102
Energy: 1.0741768891875678
Energy: 1.4410161209138734
Energy: 1.1183310001892188
Energy: 1.4410161209138734
Energy: 1.1232214310848607
Energy: 1.4410019248089911
Energy: 1.1623492817271357
Energy: 1.4410019248089911
Energy: 1.0948115075544798
Energy: 1.4763917576217451
Energy: 1.0796108331771521
Energy: 1.4763917576217451
Energy: 1.07433175473361
Energy: 1.1760969767349183
Energy: 1.2254118151190232
Energy: 1.1760969767349183

minimum gb energy = 1.0734976568896824 eV
minimum distance =  2.32319712526966 Angstroms
sigma value = 17


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

Energy: 1.3041674020284453
Energy: 1.3007396431686944
Energy: 1.2933139585499138
Energy: 1.3007396431670062
Energy: 1.2661021802979902
Energy: 1.2948020408901828
Energy: 1.1195619419691096
Energy: 1.294802040859829
Energy: 1.1932456268378355
Energy: 1.2783163214754423
Energy: 1.1192570091491816
Energy: 1.2783163214745978
Energy: 1.1225477519804072
Energy: 1.2952268813172498
Energy: 1.2626257419100315
Energy: 1.2952268815273849
Energy: 1.241663812079585
Energy: 1.367238494428376
Energy: 1.151384215407878
Energy: 1.3672384944275318
Energy: 1.1439226058512784
Energy: 1.3980751484680163
Energy: 1.1713098698503863
Energy: 1.398075148467172
Energy: 1.1256546626021495
Energy: 1.2971925795423493
Energy: 1.1241996844528337
Energy: 1.2971925795431936
Energy: 1.173097251869064
Energy: 1.2949698329976862
Energy: 1.1377478903412288
Energy: 1.2949698329748924
Energy: 1.145637654087435
Energy: 1.3984888834421114
Energy: 1.2289721613374172
Energy: 1.3984888834412672
Energy: 1.2860716525814262
Energy: 1.2486614485742245
Energy: 1.1199512506101181
Energy: 1.2486614485733805
Energy: 1.1262632977482212
Energy: 1.3007511970718832
Energy: 1.1978370627317645
Energy: 1.3007511970710393
Energy: 1.1414940037988033
Energy: 1.2954781087393648
Energy: 1.1416602244521306
Energy: 1.2954781087385205
Energy: 1.2536667060755653
Energy: 1.3018431549475677
Energy: 1.299270698587599
Energy: 1.3018431549695173
Energy: 1.1192146796943858
Energy: 1.4958645997656712
Energy: 1.2089208588447256
Energy: 1.495864599764827
Energy: 1.2208428922471748
Energy: 1.4006426721558038
Energy: 1.1457937333874721
Energy: 1.4006426721566478
Energy: 1.1904222863850362
Energy: 1.2931162367396865
Energy: 1.1726335380453365
Energy: 1.293116236608026
Energy: 1.1239066988397381
Energy: 1.3658816858857143
Energy: 1.327008375456824
Energy: 1.365881685887403
Energy: 1.1973683658884637
Energy: 1.2849459909581207
Energy: 1.1438515105030411
Energy: 1.284945990960653
Energy: 1.2131197032266716
Energy: 1.3969840920526102
Energy: 1.1871216197969956
Energy: 1.3969840920534544
Energy: 1.1222350906800693
Energy: 1.2929826506244169
Energy: 1.1231146232942804
Energy: 1.292982650433699
Energy: 1.1475360338288632
Energy: 1.2864802185355821
Energy: 1.1924540912164214
Energy: 1.2864802185355821
Energy: 1.1235213982970154
Energy: 1.2952419271591564
Energy: 1.287133651988346
Energy: 1.2952419271254256
Energy: 1.2503973559331885
Energy: 1.3001165627614661
Energy: 1.121130512799335
Energy: 1.3001165627614661
Energy: 1.229804001539903
Energy: 1.3683289662035873
Energy: 1.1939628104685724
Energy: 1.3683289662027431
Energy: 1.297985377821512
Energy: 1.278368808072852
Energy: 1.2505696606971852
Energy: 1.2783688080745403
Energy: 1.2813539313322186
Energy: 1.303060594954618
Energy: 1.1222221845807265
Energy: 1.3030605949520855
Energy: 1.1506286585796155
Energy: 1.2957332286835053
Energy: 1.3334685167837848
Energy: 1.2957332286835053
Energy: 1.1716216932695096
Energy: 1.2948088191147977
Energy: 1.19401747870733
Energy: 1.2948088191139535
Energy: 1.3270048121217235
Energy: 1.481694169550462
Energy: 1.1253592746094911
Energy: 1.4816941695513062
Energy: 1.1375951279951653
Energy: 1.396547372395719
Energy: 1.1983472965826942
Energy: 1.3965473723999018

minimum gb energy = 1.1192146796943858 eV
minimum distance =  2.26360891456692 Angstroms
sigma value = 53


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

Energy: 1.1186734403874692
Energy: 1.1165294599727653
Energy: 1.214750613529378
Energy: 1.1165294599727653
Energy: 1.2644008818778405
Energy: 1.2302188912717718
Energy: 1.1610871050062206
Energy: 1.2302188912717718
Energy: 1.1195912241114536
Energy: 1.1167333423490289
Energy: 1.269857394788182
Energy: 1.1167333423490289
Energy: 1.1196312524233354
Energy: 1.1168076853349391
Energy: 1.116642684677833
Energy: 1.1168076853368827
Energy: 1.2643278547839345
Energy: 1.2302718100496712
Energy: 1.181850328389899
Energy: 1.2302718100496712
Energy: 1.1186734403874692
Energy: 1.1165294599727653
Energy: 1.2494975394409091
Energy: 1.1165294599727653
Energy: 1.264400881879784
Energy: 1.2302188912717718
Energy: 1.1946872892767246
Energy: 1.230218891273715
Energy: 1.1195912241114536
Energy: 1.1167333423509724
Energy: 1.269857392701738
Energy: 1.1167333423490289
Energy: 1.1196312524213918
Energy: 1.1168076853368827
Energy: 1.1614331159826292
Energy: 1.1168076853368827
Energy: 1.2643278547839345
Energy: 1.2302718100496712
Energy: 1.2551264206852524
Energy: 1.2302718100496712
Energy: 1.1186734403874692
Energy: 1.1165294599727653
Energy: 1.2731100535631983
Energy: 1.1165294599708218
Energy: 1.264400881879784
Energy: 1.2302188912717718
Energy: 1.194690136735785
Energy: 1.2302188912717718
Energy: 1.1195912241114536
Energy: 1.1167333423490289
Energy: 1.2698573944132538
Energy: 1.1167333423490289

minimum gb energy = 1.1165294599708218 eV
minimum distance =  2.30833920366964 Angstroms
sigma value = 9


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

Energy: 1.2322388806637719
Energy: 1.2628821839727518
Energy: 1.477971643539121
Energy: 1.2628821839856998
Energy: 1.3448591990938537
Energy: 1.2460548315437427
Energy: 1.198257848469269
Energy: 1.2460548315423041
Energy: 1.1480705302553904
Energy: 1.212737291506537
Energy: 1.164589977577699
Energy: 1.212737291506537
Energy: 1.2060987383326471
Energy: 1.5326407557641188
Energy: 1.1587397179076757
Energy: 1.5326407557648378
Energy: 1.2531519266784392
Energy: 1.2756350377556476
Energy: 1.1652105057731559
Energy: 1.2756350377556476
Energy: 1.215139550691634
Energy: 1.2123964008085324
Energy: 1.1904045177890819
Energy: 1.2123964008099712
Energy: 1.3773141816353018
Energy: 1.268450874816286
Energy: 1.199204934182864
Energy: 1.268450874816286
Energy: 1.1637655085148133
Energy: 1.5373846431687803
Energy: 1.268112273166403
Energy: 1.5373846431687803
Energy: 1.1511945301987176
Energy: 1.5478249220197842
Energy: 1.221818336690043
Energy: 1.5478249220190647
Energy: 1.1493089978314612
Energy: 1.2412951413246553
Energy: 1.1995677647168883
Energy: 1.2412951413239357
Energy: 1.1659241060062604
Energy: 1.56709258122311
Energy: 1.3146871263157158
Energy: 1.567092581223829
Energy: 1.335189619698133
Energy: 1.342482822711377
Energy: 1.1540694539424876
Energy: 1.342482822715693
Energy: 1.150544624750082
Energy: 1.2416857005828033
Energy: 1.296244512435135
Energy: 1.2416857008776017
Energy: 1.2119254466773142
Energy: 1.5386039983393895
Energy: 1.2385296716462957
Energy: 1.5386039983393895
Energy: 1.2077064644838207
Energy: 1.380087176508775
Energy: 1.2307318949759063
Energy: 1.380087176506617
Energy: 1.1543111261484178
Energy: 1.547095202259458
Energy: 1.1960714308874159
Energy: 1.547095202259458
Energy: 1.20691620751036
Energy: 1.3808243015375283
Energy: 1.1655135874263765
Energy: 1.3808243015382478
Energy: 1.169574026992322
Energy: 1.2687580800967126
Energy: 1.314506796758338
Energy: 1.2687580800967126
Energy: 1.319229823628637
Energy: 1.2415265193669622
Energy: 1.2171806229147264
Energy: 1.241526519315889
Energy: 1.1934605366291695
Energy: 1.259802068630707
Energy: 1.2300102351589608
Energy: 1.2598020686314266
Energy: 1.2127372385071546
Energy: 1.5309378372241154
Energy: 1.2086831259371578
Energy: 1.5309378372248343
Energy: 1.2290372294053389
Energy: 1.284323947678137
Energy: 1.1489296735526813
Energy: 1.2843239476774175
Energy: 1.2218065051631464
Energy: 1.4053039341297155
Energy: 1.1514086639900258
Energy: 1.4053039341297155
Energy: 1.3735968439051032
Energy: 1.3439043240982638
Energy: 1.1635477861676802
Energy: 1.3439043241004216
Energy: 1.198291178516799
Energy: 1.4423933005123206
Energy: 1.4193660376729347
Energy: 1.442393300510882
Energy: 1.1708132808477276
Energy: 1.2129854102586257
Energy: 1.1484289235780825
Energy: 1.2129854102579067
Energy: 1.2124443349756984
Energy: 1.3819452397741743
Energy: 1.2055486877378916
Energy: 1.3819452397748937
Energy: 1.2281931029981
Energy: 1.5325134281249044
Energy: 1.2064099024659656
Energy: 1.5325134281249044
Energy: 1.2033047408972621
Energy: 1.212461352330726
Energy: 1.1477167804424921
Energy: 1.2124613523300063
Energy: 1.197929268633072
Energy: 1.3446186694372004
Energy: 1.4210972419162613
Energy: 1.3446186694379196
Energy: 1.3798873387965358
Energy: 1.2066961021161697
Energy: 1.1626869649069325
Energy: 1.206696102114731
Energy: 1.1990900760695042
Energy: 1.2714204543436765
Energy: 1.1489867800399303
Energy: 1.271420454342957
Energy: 1.1983552215452746
Energy: 1.2840666724281695
Energy: 1.1482335055756396
Energy: 1.2840666724274503
Energy: 1.2040236940358762
Energy: 1.5322124024606627
Energy: 1.206038563900591
Energy: 1.5322124024599433
Energy: 1.1653818760904562
Energy: 1.416552338019476
Energy: 1.3771548969668317
Energy: 1.4165523380187568

minimum gb energy = 1.1477167804424921 eV
minimum distance =  2.27240628618073 Angstroms
sigma value = 73


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

Energy: 1.2661285067098553
Energy: 1.2667799880446668
Energy: 1.3177159771798048
Energy: 1.266780364629066
Energy: 1.3055253050710314
Energy: 1.3379527798978752
Energy: 1.2118630518068074
Energy: 1.3379527798978752
Energy: 1.16656570951747
Energy: 1.209019399128139
Energy: 1.186619141429805
Energy: 1.2090193991269977
Energy: 1.1272356095918175
Energy: 1.4314716694079792
Energy: 1.1911261399801234
Energy: 1.4314716694079792
Energy: 1.174206310045703
Energy: 1.311326854443877
Energy: 1.1878284533690433
Energy: 1.311326854443877
Energy: 1.1948103280075288
Energy: 1.2556219863794278
Energy: 1.2199531771642058
Energy: 1.2556219863782865
Energy: 1.4015575825728508
Energy: 1.3536068576998348
Energy: 1.1599582730757556
Energy: 1.3536068576986935
Energy: 1.1558081891586334
Energy: 1.231959109996719
Energy: 1.3708997461040247
Energy: 1.231959109996719
Energy: 1.2904252213588574
Energy: 1.2331338223186725
Energy: 1.2303768905663799
Energy: 1.2331338223186725
Energy: 1.1629930096837555
Energy: 1.2547060435133195
Energy: 1.1630904187812767
Energy: 1.2547060435133195
Energy: 1.1526385104144632
Energy: 1.2330582590076544
Energy: 1.2584381475520192
Energy: 1.2330582590087957
Energy: 1.2709195290402893
Energy: 1.42997135334811
Energy: 1.126803003810249
Energy: 1.42997135334811
Energy: 1.19137516344097
Energy: 1.3015122243193151
Energy: 1.3697511865002232
Energy: 1.3015122243193151
Energy: 1.2821687878139452
Energy: 1.4086913930002223
Energy: 1.1932518891935864
Energy: 1.4086913930013636
Energy: 1.1251559955403823
Energy: 1.4125879539900295
Energy: 1.3749533780043885
Energy: 1.4125879539900295
Energy: 1.2581530086085313
Energy: 1.2325090118075372
Energy: 1.1560586180785524
Energy: 1.2325090118075372
Energy: 1.271637665288184
Energy: 1.2682686815099307
Energy: 1.1670967125338796
Energy: 1.268268681511072
Energy: 1.2195350034938304
Energy: 1.4220035611478503
Energy: 1.163306624764127
Energy: 1.422003561146709
Energy: 1.2242191024198066
Energy: 1.232467797151487
Energy: 1.155465820410138
Energy: 1.2324677971503457
Energy: 1.2117159054413609
Energy: 1.2890573508937253
Energy: 1.4458520131541677
Energy: 1.2890573510294867
Energy: 1.3064034958286754
Energy: 1.243798704755296
Energy: 1.1968967201853937
Energy: 1.2437987047530135
Energy: 1.207458965878215
Energy: 1.3100447230679098
Energy: 1.285704177711916
Energy: 1.3100447230679098

minimum gb energy = 1.1251559955403823 eV
minimum distance =  2.28953371949802 Angstroms
sigma value = 7


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

Energy: 1.2671373638375079
Energy: 1.2632308832391663
Energy: 1.4499289195819998
Energy: 1.2632308832399735
Energy: 1.3523631134537863
Energy: 1.271220341725979
Energy: 1.20511696969808
Energy: 1.271220341723558
Energy: 1.178713340152531
Energy: 1.4690813366428856
Energy: 1.1686560442908502
Energy: 1.4690813366428856
Energy: 1.1441304844150506
Energy: 1.3381226480583814
Energy: 1.2078499534942744
Energy: 1.3381226480599957
Energy: 1.1840209672957391
Energy: 1.289779030696264
Energy: 1.1820641710615134
Energy: 1.2897790306970707
Energy: 1.1816421671047048
Energy: 1.263888392967949
Energy: 1.2759943479898053
Energy: 1.26388839297037
Energy: 1.387206274246022
Energy: 1.4389342735150097
Energy: 1.1834868297940384
Energy: 1.4389342735142026
Energy: 1.1815791633100974
Energy: 1.263898677058811
Energy: 1.4101551285781422
Energy: 1.2638986770596181
Energy: 1.2912627893096678
Energy: 1.3174620522918017
Energy: 1.2044962703503372
Energy: 1.3174620522901876
Energy: 1.1808126634180607
Energy: 1.297611353904521
Energy: 1.3508196307104554
Energy: 1.297611353907749
Energy: 1.1478310538374934
Energy: 1.4680447276956796
Energy: 1.1631051926679008
Energy: 1.4680447276940656
Energy: 1.2340059866049033
Energy: 1.2901762239342682
Energy: 1.1597781596374261
Energy: 1.2901762239342682
Energy: 1.27134623135876
Energy: 1.2646381184021824
Energy: 1.1631926238768433
Energy: 1.2646381183997615
Energy: 1.1690710667206317
Energy: 1.2484704442463919
Energy: 1.158989237038617
Energy: 1.2484704442463919
Energy: 1.1826214465871192
Energy: 1.3708346837288117
Energy: 1.3914223149487548
Energy: 1.3708346837271976
Energy: 1.3390390590636012
Energy: 1.2471558940508236
Energy: 1.2007313567194577
Energy: 1.2471558940524374
Energy: 1.1827555598526742
Energy: 1.2907488197732735
Energy: 1.3249882958264387
Energy: 1.2907488197724664
Energy: 1.1830141879467972
Energy: 1.2503371976009279
Energy: 1.159401274331243
Energy: 1.2503371976001207
Energy: 1.18082852554093
Energy: 1.263989912446771
Energy: 1.163304978246949
Energy: 1.263989912447578
Energy: 1.1803722696084333
Energy: 1.2900107454383891
Energy: 1.1599491456506361
Energy: 1.2900107454375822
Energy: 1.149311855883458
Energy: 1.4223833733908564
Energy: 1.2042361282086815
Energy: 1.4223833733924338
Energy: 1.180589230077578
Energy: 1.462268016477326
Energy: 1.3503945815399638
Energy: 1.4622680164765194
Energy: 1.3375010133280236
Energy: 1.43331065765423
Energy: 1.1743488385088559
Energy: 1.43331065765423
Energy: 1.2701062136663885
Energy: 1.2637799280138344
Energy: 1.266160274917572
Energy: 1.2637799280154485
Energy: 1.2150910413215836
Energy: 1.2902962994588634
Energy: 1.1630944058856656
Energy: 1.2902962994572493
Energy: 1.1429801270896551
Energy: 1.4668165870495533
Energy: 1.1558258336603209
Energy: 1.4668165870495533
Energy: 1.1824412372645698
Energy: 1.2979129664316083
Energy: 1.2464639768544508
Energy: 1.2979129664316083
Energy: 1.14376632261365
Energy: 1.2903866887561377
Energy: 1.2076567441838277
Energy: 1.2903866887561377
Energy: 1.177956549775619
Energy: 1.2637781676909605
Energy: 1.2387168398360715
Energy: 1.2637781676885393
Energy: 1.4052014329538793
Energy: 1.2278046257349209
Energy: 1.206969265734257
Energy: 1.227804625738149
Energy: 1.1779565341861478
Energy: 1.2638619988985214
Energy: 1.357892466884951
Energy: 1.2638619988993283

minimum gb energy = 1.1429801270896551 eV
minimum distance =  2.27285162841901 Angstroms
sigma value = 29


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

Energy: 1.1930812403819229
Energy: 1.1977344582819316
Energy: 1.125669091786347
Energy: 1.1977344582814007
Energy: 1.1280916206431642
Energy: 1.2134901837011969
Energy: 1.215404601567174
Energy: 1.2134901837009155
Energy: 1.1581472326292561
Energy: 1.2823297300903438
Energy: 1.1260994838724232
Energy: 1.2823297300897816
Energy: 1.2130769270910349
Energy: 1.2380923624934856
Energy: 1.2153737253003907
Energy: 1.2380923624957034
Energy: 1.1912329305964156
Energy: 1.2700221892382273
Energy: 1.278699389579136
Energy: 1.2700221892379775
Energy: 1.0822340869815417
Energy: 1.3079984968722902
Energy: 1.082239373887059
Energy: 1.3079984968725404
Energy: 1.1589523694641535
Energy: 1.269978022020348
Energy: 1.1908918560962678
Energy: 1.269978022020067
Energy: 1.2154601803858092
Energy: 1.2377418177514679
Energy: 1.2160370606348532
Energy: 1.2377418177484378
Energy: 1.12584411349516
Energy: 1.2821190344503999
Energy: 1.1263267296566342
Energy: 1.2821190344501503

minimum gb energy = 1.0822340869815417 eV
minimum distance =  2.30529410093458 Angstroms
sigma value = 5


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

Energy: 1.1500715017858054
Energy: 1.1718829572346006
Energy: 1.1071260915540762
Energy: 1.1718829572338385
Energy: 1.3981669859787225
Energy: 1.1258135960023499
Energy: 1.0965446524616371
Energy: 1.1258135959962514
Energy: 1.0851372524982121
Energy: 1.1536395553796197
Energy: 1.2793967780657967
Energy: 1.1536395553788574
Energy: 1.0742180363903833
Energy: 1.2071797646241815
Energy: 1.1256680601773814
Energy: 1.2071797646249438
Energy: 1.111015715049905
Energy: 1.2146523798662923
Energy: 1.2760327880791253
Energy: 1.2146523798662923
Energy: 1.1168447523215173
Energy: 1.173852032824001
Energy: 1.102451163067451
Energy: 1.173852032824001
Energy: 1.0857027132852208
Energy: 1.214360828911347
Energy: 1.0878909694235561
Energy: 1.2143608289105847
Energy: 1.0864990558686474
Energy: 1.17432472960488
Energy: 1.091669096359226
Energy: 1.1743247296041177
Energy: 1.1136823785839618
Energy: 1.2137543333600376
Energy: 1.0874687902914242
Energy: 1.2137543333607999
Energy: 1.1221741820139457
Energy: 1.2163684039509302
Energy: 1.0722502396809555
Energy: 1.2163684039509302
Energy: 1.095743765131231
Energy: 1.2034418570840482
Energy: 1.0890970894658023
Energy: 1.2034418570832859
Energy: 1.0879751720689532
Energy: 1.1412866896408627
Energy: 1.1756475247056264
Energy: 1.1412866896058653
Energy: 1.122673364847482
Energy: 1.172232054144823
Energy: 1.1648919585310007
Energy: 1.1722320541455853
Energy: 1.1131052168878028
Energy: 1.1720264830063851
Energy: 1.3814417528359566
Energy: 1.1720264830063851
Energy: 1.3082092381456287
Energy: 1.1153981619030007
Energy: 1.0889267087889993
Energy: 1.1153981619022384
Energy: 1.1230472397974365
Energy: 1.153543866379248
Energy: 1.101173285548962
Energy: 1.1535438663800104
Energy: 1.2769110932833074
Energy: 1.140307504127344
Energy: 1.1025733639007755
Energy: 1.140307504127344
Energy: 1.1130622266801298
Energy: 1.1721806166180786
Energy: 1.1730810052902256
Energy: 1.1721806166180786
Energy: 1.1115330399700942
Energy: 1.2170862313311348
Energy: 1.0978498483288526
Energy: 1.2170862313303727
Energy: 1.0855779840763002
Energy: 1.2336041046538355
Energy: 1.1288319183504207
Energy: 1.233604104654598
Energy: 1.072881355799292
Energy: 1.199573081059007
Energy: 1.122003442860893
Energy: 1.1995730810574825
Energy: 1.1118911811643173
Energy: 1.2143035864276939
Energy: 1.1118504883046196
Energy: 1.2143035864284561
Energy: 1.0991669157096233
Energy: 1.173380024419542
Energy: 1.073159921627401
Energy: 1.173380024419542
Energy: 1.1744626240066443
Energy: 1.2054915607860948
Energy: 1.0858633395071458
Energy: 1.205491560786857
Energy: 1.1815033365595116
Energy: 1.1577606378385845
Energy: 1.0949398769080108
Energy: 1.1577606378385845
Energy: 1.1499999792688274
Energy: 1.172107331178077
Energy: 1.1131520599107017
Energy: 1.1721073311757901
Energy: 1.115798768561788
Energy: 1.1042608020786606
Energy: 1.1341258974280883
Energy: 1.1042608020786606
Energy: 1.0980610248845917
Energy: 1.2083280680833652
Energy: 1.1230848128799003
Energy: 1.2083280680856523
Energy: 1.0956919813777217
Energy: 1.1258300863698603
Energy: 1.435079115884418
Energy: 1.1258300863690978
Energy: 1.2428011718025618
Energy: 1.17203914385712
Energy: 1.1128269508059856
Energy: 1.1720391438578825
Energy: 1.1067043024667353
Energy: 1.135826385829894
Energy: 1.2672484991491813
Energy: 1.1358263858291313
Energy: 1.2750156142695779
Energy: 1.1575485606197438
Energy: 1.0878578023369705
Energy: 1.157548560617457
Energy: 1.1242769953357135
Energy: 1.2067164714883325
Energy: 1.0741562772516158
Energy: 1.2067164714890946

minimum gb energy = 1.0722502396809555 eV
minimum distance =  2.29480829195711 Angstroms
sigma value = 1


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

Energy: 1.1142806790370228
Energy: 1.111055960623101
Energy: 1.0433413744669884
Energy: 1.111055960623101
Energy: 1.3346511604112283
Energy: 1.0562363804416042
Energy: 1.0627627897463516
Energy: 1.0562363804405501
Energy: 1.0193761038150393
Energy: 1.1115020069221582
Energy: 1.4793430311362783
Energy: 1.1115020069200503
Energy: 1.0653357683003133
Energy: 1.1641348731959686
Energy: 1.0611799153770678
Energy: 1.1641348731970227
Energy: 1.0201988668746433
Energy: 1.2064235176798777
Energy: 1.2855229235801924
Energy: 1.2064235176798777
Energy: 1.0230489762422528
Energy: 1.1584670427457442
Energy: 1.0617446682899816
Energy: 1.15846704274469
Energy: 1.0211116791611725
Energy: 1.2112193719664321
Energy: 1.07331542504485
Energy: 1.2112193719653779
Energy: 1.0209492299214367
Energy: 1.1148227431793176
Energy: 1.0715610444829722
Energy: 1.1148227431782636
Energy: 1.1168470483706465
Energy: 1.10955439231228
Energy: 1.0715791383486588
Energy: 1.109554392310172
Energy: 1.1094615438274316
Energy: 1.109358963637187
Energy: 1.0722531230548078
Energy: 1.109358963637187
Energy: 1.0207396196706517
Energy: 1.114792159478659
Energy: 1.0717643319601098
Energy: 1.114792159479713
Energy: 1.021087653114851
Energy: 1.2110961700236103
Energy: 1.0788672402623898
Energy: 1.2110961700236103
Energy: 1.022680251052458
Energy: 1.1583463028535346
Energy: 1.061569660479339
Energy: 1.1583463028545888
Energy: 1.020153770759667
Energy: 1.2059457183318785
Energy: 1.2142366525331934
Energy: 1.2059457183318785
Energy: 1.0656218990834971
Energy: 1.1641004455756916
Energy: 1.0613098827338625
Energy: 1.1641004455756916
Energy: 1.019181898235034
Energy: 1.1115376679561662
Energy: 1.301009933875038
Energy: 1.1115376679561662
Energy: 1.334426859915115
Energy: 1.0562776769721705
Energy: 1.0638095986838112
Energy: 1.0562776769732245
Energy: 1.1142806790370228
Energy: 1.111055960623101
Energy: 1.0674399891510618
Energy: 1.111055960623101
Energy: 1.3346511604112283
Energy: 1.0562363804416042
Energy: 1.0627627897463516
Energy: 1.0562363804416042
Energy: 1.0193761038150393
Energy: 1.1115020069221582
Energy: 1.4793430311373323
Energy: 1.1115020069200503
Energy: 1.0653357683034754
Energy: 1.1641348731959686
Energy: 1.0611799153770678
Energy: 1.1641348731970227
Energy: 1.0201988668756974
Energy: 1.2064235176788234
Energy: 1.2855229235801924
Energy: 1.2064235176777693
Energy: 1.0230489762422528
Energy: 1.1584670427457442
Energy: 1.0617446682899816
Energy: 1.1584670427436363
Energy: 1.0211116791622263
Energy: 1.211219371967486
Energy: 1.0733154250459043
Energy: 1.2112193719664321

minimum gb energy = 1.019181898235034 eV
minimum distance =  2.30188714727121 Angstroms
sigma value = 17


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

Energy: 1.0891157914526717
Energy: 1.0860117311191737
Energy: 1.3888473724304629
Energy: 1.086011731119825
Energy: 1.3165450396311236
Energy: 1.0694844903064853
Energy: 1.0365283428876044
Energy: 1.0694844903064853
Energy: 1.0368075274790305
Energy: 1.068207802951913
Energy: 1.3163226735752922
Energy: 1.0682078029512616
Energy: 1.0593381827059105
Energy: 1.2525273540505482
Energy: 1.0332058989418977
Energy: 1.2525273540525028
Energy: 1.0184717204751648
Energy: 1.1488233090591193
Energy: 1.3159392287452747
Energy: 1.1488233090610735
Energy: 1.0070178445151294
Energy: 1.2690137305330125
Energy: 1.054372542503822
Energy: 1.2690137305330125
Energy: 1.0365661788279563
Energy: 1.1273748966425154
Energy: 1.0932351683664405
Energy: 1.1273748966438186
Energy: 1.018141340465267
Energy: 1.2794220039266586
Energy: 1.0170967928397916
Energy: 1.2794220039260071
Energy: 1.081251308441615
Energy: 1.2807994221910388
Energy: 1.0589551504419625
Energy: 1.2807994221903873
Energy: 1.0850937107125582
Energy: 1.1112002804085208
Energy: 1.0367715443001297
Energy: 1.111200280409824
Energy: 1.0376355849667493
Energy: 1.2513806065085766
Energy: 1.0180050391827276
Energy: 1.2513806065098794
Energy: 1.0400166315403023
Energy: 1.1189001521224644
Energy: 1.0195300336164173
Energy: 1.1189001521231159
Energy: 1.005933409164781
Energy: 1.2691875772946046
Energy: 1.034981689303338
Energy: 1.269187577295256
Energy: 1.0185458240120044
Energy: 1.1482092705009195
Energy: 1.1149628472687079
Energy: 1.1482092705022224
Energy: 1.0213173468486019
Energy: 1.260189331474771
Energy: 1.0949242608151126
Energy: 1.2601893314754224
Energy: 1.0370266822627874
Energy: 1.0688208415768359
Energy: 1.313602490539324
Energy: 1.0688208415768359
Energy: 1.0483227097470391
Energy: 1.2615694547018754
Energy: 1.0347041471110026
Energy: 1.2615694547025267
Energy: 1.0319977464817687
Energy: 1.08662648412446
Energy: 1.033094646971652
Energy: 1.08662648412446
Energy: 1.2068333504659088
Energy: 1.12071450289121
Energy: 1.0369820047180962
Energy: 1.1207145028905583
Energy: 1.0543827017328937
Energy: 1.0682120268394895
Energy: 1.1969960490170002
Energy: 1.0682120268375348
Energy: 1.4575397258459972
Energy: 1.058620552167227
Energy: 1.034642224006617
Energy: 1.058620552167227
Energy: 1.0351857857399729
Energy: 1.0876043411908307
Energy: 1.3240930407521856
Energy: 1.087604341190179
Energy: 1.1904475623767534
Energy: 1.0508021627401682
Energy: 1.0536721475600455
Energy: 1.0508021627388653
Energy: 1.0377511212839032
Energy: 1.128441127035218
Energy: 1.222724818178469
Energy: 1.128441127032612
Energy: 1.0468352862874437
Energy: 1.0872728690763356
Energy: 1.032226594019344
Energy: 1.087272869075684
Energy: 1.035844089570019
Energy: 1.150022342054766
Energy: 1.0516465518279263
Energy: 1.1500223420554174
Energy: 1.1807785802731112
Energy: 1.1029316467250914
Energy: 1.0378598724301458
Energy: 1.1029316467250914
Energy: 1.0982350035858754
Energy: 1.260341006574592
Energy: 1.0193878186666177
Energy: 1.260341006574592
Energy: 1.1120029667330815
Energy: 1.1477821512461084
Energy: 1.0191599016337785
Energy: 1.1477821512467596
Energy: 1.0360177926270515
Energy: 1.2682708609253666
Energy: 1.0618262812433428
Energy: 1.268270860926018
Energy: 1.0194310236614037
Energy: 1.1480794671468912
Energy: 1.0402573745633292
Energy: 1.1480794671468912
Energy: 1.0195160302261406
Energy: 1.2515772198394248
Energy: 1.0353748280315858
Energy: 1.2515772198387738
Energy: 1.0376908129603963
Energy: 1.1113454875652813
Energy: 1.2148776364243632
Energy: 1.1113454875639783
Energy: 1.0633235689654366
Energy: 1.2834480346425134
Energy: 1.0578179483359689
Energy: 1.2834480346431645
Energy: 1.0174508508516316
Energy: 1.0875339422482981
Energy: 1.0517770066225443
Energy: 1.0875339422489496
Energy: 1.0881874258860378
Energy: 1.1287675194873823
Energy: 1.0350055143881736
Energy: 1.1287675194880338
Energy: 1.0538061605405948
Energy: 1.2693294251966452
Energy: 1.0062684302457123
Energy: 1.2693294251972964
Energy: 1.3170303899809899
Energy: 1.150125975589251
Energy: 1.0352345982822426
Energy: 1.1501259755899027

minimum gb energy = 1.005933409164781 eV
minimum distance =  2.29328153943073 Angstroms
sigma value = 89


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

Energy: 0.9482075236087361
Energy: 0.9462801625123021
Energy: 1.3738158785887173
Energy: 0.9462801625105974
Energy: 0.9512953110178322
Energy: 0.9873370044759331
Energy: 0.9540414985905408
Energy: 0.9873370044742283
Energy: 0.954580591910763
Energy: 1.1179533799292307
Energy: 0.9333694297738351
Energy: 1.1179533799292307
Energy: 0.9231634025803633
Energy: 0.987337875806957
Energy: 0.9541477889414173
Energy: 0.987337875806957
Energy: 0.9533565414952319
Energy: 1.0312450226013783
Energy: 1.5797915947675925
Energy: 1.0312450226013783
Energy: 0.9499154610500666
Energy: 0.9475875614355751
Energy: 0.9513804997534115
Energy: 0.9475875614355751
Energy: 0.9532091205748514
Energy: 1.1179409018535043
Energy: 0.9521656578311636
Energy: 1.1179409018535043
Energy: 0.908790718486266
Energy: 1.360557974748864
Energy: 0.9537343826468389
Energy: 1.360557974748864
Energy: 0.9472793541957677
Energy: 1.0317141444195619
Energy: 0.9243331895089543
Energy: 1.0317141444178572
Energy: 0.9872671492768207
Energy: 0.9460913038611635
Energy: 0.9486479945432581
Energy: 0.9460913038611635
Energy: 0.943474056971076
Energy: 0.9884945157817339
Energy: 0.9540159014530288
Energy: 0.9884945157800292
Energy: 0.9436129259799382
Energy: 1.1212325406277255
Energy: 0.954870281792786
Energy: 1.1212325406277255
Energy: 0.9496345427345989
Energy: 0.94904982252529
Energy: 0.9149737754835914
Energy: 0.94904982252529
Energy: 0.9505889041036503
Energy: 1.0300249099413317
Energy: 0.9507462990117247
Energy: 1.0300249099413317
Energy: 0.9242219628093874
Energy: 0.9489787630631745
Energy: 0.9496741560492435
Energy: 0.9489787630631745

minimum gb energy = 0.908790718486266 eV
minimum distance =  2.31696039088849 Angstroms
sigma value = 13


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

Energy: 0.9226721341957256
Energy: 0.8800761987453146
Energy: 0.848722947602863
Energy: 0.8800761987460292
Energy: 1.3763524112063634
Energy: 0.9081208927868414
Energy: 0.8641425162264852
Energy: 0.9081208927889847
Energy: 0.882783240259696
Energy: 0.8809777356216709
Energy: 1.311579328859291
Energy: 0.8809777356180987
Energy: 0.8886060709495013
Energy: 0.907693045299696
Energy: 0.8605333917442243
Energy: 0.9076930453018394
Energy: 0.8905996105960937
Energy: 0.9436600713705442
Energy: 0.8904217335694432
Energy: 0.943660071373402
Energy: 1.0447988006011515
Energy: 0.9083553679838825
Energy: 0.8950218167004848
Energy: 0.9083553679795958
Energy: 0.8906426200040183
Energy: 0.9506049722361554
Energy: 1.2125169249739847
Energy: 0.9506049722382988
Energy: 0.8477294262195965
Energy: 0.908452511590568
Energy: 0.8952015011360942
Energy: 0.9084525115934259
Energy: 0.8908263823516792
Energy: 0.949310959757604
Energy: 1.051855210607666
Energy: 0.9493109597626053
Energy: 1.0649017579765088
Energy: 0.9699466870796665
Energy: 0.8608124717719049
Energy: 0.9699466870796665
Energy: 0.8905288016389317
Energy: 0.9710374016362546
Energy: 0.8633761153049101
Energy: 0.9710374016376836
Energy: 1.2071669414202135
Energy: 0.9698155712776855
Energy: 0.8597449710814515
Energy: 0.9698155712733987
Energy: 0.9303952344033117
Energy: 0.9000602873005958
Energy: 0.8666916596737407
Energy: 0.9000602873005958
Energy: 1.2325900989706646
Energy: 0.9702758540459394
Energy: 0.8597355421742694
Energy: 0.9702758540437961
Energy: 0.8907784584330448
Energy: 0.8805504840519701
Energy: 0.8552213662411517
Energy: 0.8805504840526847
Energy: 0.8877646933320326
Energy: 0.9706031990046351
Energy: 0.8613806632839913
Energy: 0.9706031990039208
Energy: 0.8816269039176791
Energy: 0.8788831043079426
Energy: 0.8649427113633977
Energy: 0.8788831043065135
Energy: 0.8800868200479794
Energy: 0.9468549253081182
Energy: 0.902863470381998
Energy: 0.9468549253038315
Energy: 0.88170917280998
Energy: 0.9472943811440716
Energy: 0.9025271771996132
Energy: 0.9472943811419282
Energy: 0.881875984609064
Energy: 0.9473204593625035
Energy: 0.9026421479971602
Energy: 0.9473204593682192
Energy: 0.8781916161848646
Energy: 0.9468048538457644
Energy: 0.9026198900456861
Energy: 0.9468048538486222
Energy: 0.8815668100374636
Energy: 0.8788835827311999
Energy: 0.8652820501153339
Energy: 0.8788835827283421
Energy: 0.8879060966506344
Energy: 0.970423411682745
Energy: 0.8623630821883804
Energy: 0.9704234116856029
Energy: 0.8908392917138659
Energy: 0.8810962004272572
Energy: 0.8594892387944515
Energy: 0.8810962004279717
Energy: 1.2326325940644876
Energy: 0.9703029966626091
Energy: 0.8598047728682295
Energy: 0.9703029966654669
Energy: 0.930452656037092
Energy: 0.9002280948564886
Energy: 0.8681027268501867
Energy: 0.9002280948607753
Energy: 1.2074273963735545
Energy: 0.969927887011823
Energy: 0.8599522912191937
Energy: 0.969927887011823
Energy: 0.8905267510584013
Energy: 0.9704849522041227
Energy: 0.8682361878949539
Energy: 0.970484952207695
Energy: 1.0647637261820806
Energy: 0.9697784238617423
Energy: 0.8606396816549938
Energy: 0.9697784238646001
Energy: 0.8907862167065327
Energy: 0.9494924811050045
Energy: 1.0546631881847064
Energy: 0.9494924811028612
Energy: 0.851920405858152
Energy: 0.9084215078592838
Energy: 0.895021332167661
Energy: 0.9084215078564261
Energy: 0.8906150530376887
Energy: 0.9503664749989631
Energy: 1.2231778765485255
Energy: 0.950366475000392
Energy: 1.0447635011448677
Energy: 0.9083183171497353
Energy: 0.895123439066303
Energy: 0.9083183171504497
Energy: 0.890658345344369
Energy: 0.9435481164041384
Energy: 1.2232649761781098
Energy: 0.9435481164048529
Energy: 0.8884659635002111
Energy: 0.9081622915278831
Energy: 0.8605130406450586
Energy: 0.9081622915300267

minimum gb energy = 0.8477294262195965 eV
minimum distance =  2.33015295237954 Angstroms
sigma value = 37


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

Energy: 0.8401921828480305
Energy: 0.8378655000363122
Energy: 1.1238988383301676
Energy: 0.8378655000363122
Energy: 1.3640801467421766
Energy: 0.8367680430589346
Energy: 0.7737497686021239
Energy: 0.8367680430601638
Energy: 0.8033074798429691
Energy: 0.9380763332229867
Energy: 1.0851618293499403
Energy: 0.9380763332229867
Energy: 0.7734615715892217
Energy: 0.8369345853573187
Energy: 0.7742531814943464
Energy: 0.8369345853573187
Energy: 0.7738269107733863
Energy: 0.8368950909876735
Energy: 0.7694908065157069
Energy: 0.8368950909876735
Energy: 0.7472916057116846
Energy: 0.836880826290488
Energy: 0.7714958825275199
Energy: 0.836880826290488
Energy: 0.8078733776556245
Energy: 0.8821259203626487
Energy: 1.0831957004352752
Energy: 0.8821259203626487
Energy: 0.7730176323396653
Energy: 0.8387660600419843
Energy: 0.8429568441279118
Energy: 0.8387660600419843
Energy: 0.7736470355574201
Energy: 0.8366781580463014
Energy: 1.08236695803938
Energy: 0.8366781580475307
Energy: 1.1228807044430744
Energy: 0.9270348990965427
Energy: 0.7717022403851308
Energy: 0.9270348990965427
Energy: 0.8079299867452772
Energy: 0.8814346141058751
Energy: 0.7730967367316987
Energy: 0.881434614104646
Energy: 1.1424325632204317
Energy: 0.8372666280359687
Energy: 0.7741808386202644
Energy: 0.8372666280359687
Energy: 0.7739542983192153
Energy: 0.836524123676355
Energy: 0.7546914307067564
Energy: 0.836524123676355
Energy: 1.0829740313683625
Energy: 0.8817189023500599
Energy: 0.7722958059369597
Energy: 0.8817189023500599
Energy: 0.8434092950920654
Energy: 0.8828618462369161
Energy: 0.7722948856748426
Energy: 0.8828618462369161
Energy: 0.8354218829050469
Energy: 0.837144069812157
Energy: 0.7747539034608175
Energy: 0.837144069812157
Energy: 0.7742142315475585
Energy: 0.9294331874656411
Energy: 0.7366400213844934
Energy: 0.9294331874656411
Energy: 0.7687140034784636
Energy: 0.8824775761225289
Energy: 0.772622422806166
Energy: 0.882477576327695
Energy: 0.7752278995964513
Energy: 0.8392166625079178
Energy: 0.77640765435567
Energy: 0.8392166625066887
Energy: 0.7714362057550003
Energy: 0.836652099712214
Energy: 0.7679258659641207
Energy: 0.8366520997109849

minimum gb energy = 0.7366400213844934 eV
minimum distance =  2.33287605337614 Angstroms
sigma value = 25


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

Energy: 0.7565869807218857
Energy: 0.7019433251000443
Energy: 0.9786178356395919
Energy: 0.7019433250990845
Energy: 1.3620863371240757
Energy: 0.726665319045876
Energy: 0.7063015691096302
Energy: 0.726665319045876
Energy: 0.7017177961736537
Energy: 0.7006037041047636
Energy: 0.6516574520623928
Energy: 0.7006037041047636
Energy: 0.9152904879887667
Energy: 0.7269507457229527
Energy: 0.7065133113234279
Energy: 0.7269507457219929
Energy: 0.7059138409936347
Energy: 0.7270308660856556
Energy: 0.6639434308413458
Energy: 0.7270308660846957
Energy: 0.6640574470058855
Energy: 0.7266442460154732
Energy: 0.7064876960791978
Energy: 0.7266442460154732
Energy: 0.7061536306362431
Energy: 0.7005223842880356
Energy: 0.9139153558090064
Energy: 0.7005223842870756
Energy: 0.650760318810977
Energy: 0.7548838611276633
Energy: 0.7025574524572937
Energy: 0.7548838611286232
Energy: 0.7056200478943551
Energy: 0.727296343552935
Energy: 1.1307326427705926
Energy: 0.727296343552935
Energy: 0.6711960998577038
Energy: 0.7008191081492617
Energy: 0.7575233469093683
Energy: 0.7008191081483017
Energy: 0.7055911069844297
Energy: 0.7005502166590466
Energy: 1.1680312346132051
Energy: 0.7005502166590466
Energy: 0.9654629683051368
Energy: 0.8255923024947482
Energy: 0.7026553698867178
Energy: 0.8255923024976277
Energy: 0.705877952609629
Energy: 0.7271003468113887
Energy: 0.9139002503811497
Energy: 0.7271003468104287
Energy: 0.985976022544247
Energy: 0.9991365037404659
Energy: 0.7067364126474329
Energy: 0.9991365037404659
Energy: 0.7058719667424824
Energy: 0.7009122135844167
Energy: 0.664047569757152
Energy: 0.7009122135844167
Energy: 0.9718408690032843
Energy: 0.8257801415070359
Energy: 0.7089207998851962
Energy: 0.8257801415070359
Energy: 0.7056376820479356
Energy: 0.754623102190485
Energy: 0.6573040783479511
Energy: 0.7546231021895251
Energy: 0.9573110027000752
Energy: 0.7267694525342515
Energy: 0.7069112062903387
Energy: 0.7267694525332917
Energy: 0.7603909019455539
Energy: 0.7008867907230039
Energy: 0.6641060379368331
Energy: 0.700886790722044
Energy: 1.1669837027826024
Energy: 0.8294212600824503
Energy: 0.7083408330819619
Energy: 0.8294212600853299
Energy: 0.7055390627046899
Energy: 0.7556636289853894
Energy: 0.6449780945306598
Energy: 0.7556636289844296
Energy: 0.6991919804979125
Energy: 0.7269956976737477
Energy: 0.7069786677849214
Energy: 0.7269956976727878
Energy: 0.7090254276574395
Energy: 0.9953746247785075
Energy: 0.9850550665524396
Energy: 0.9953746247785075
Energy: 0.6639252043891224
Energy: 0.8289194631228382
Energy: 0.7088873741053064
Energy: 0.8289194631228382
Energy: 0.707845750507186
Energy: 0.8249047679929342
Energy: 0.9707535192564819
Energy: 0.824904767993894
Energy: 0.6638479293304409
Energy: 0.7552094164448477
Energy: 0.707527745615232
Energy: 0.7552094164458076

minimum gb energy = 0.6449780945306598 eV
minimum distance =  2.34222808915727 Angstroms
sigma value = 41


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

Energy: 1.0438726692439402
Energy: 0.6463921672219177
Energy: 0.5831814943603415
Energy: 0.6463921672211309
Energy: 1.351243273464594
Energy: 0.6286515799806384
Energy: 0.6149489955327616
Energy: 0.6286515799806384
Energy: 0.6466500436522948
Energy: 0.6126302734239314
Energy: 0.5822120377153783
Energy: 0.6126302734239314
Energy: 1.0160648563702677
Energy: 0.6289935290710127
Energy: 0.6148279017345819
Energy: 0.6289935290710127
Energy: 0.6121816603081801
Energy: 0.6664223982889972
Energy: 0.9504521835777111
Energy: 0.6664223982889972
Energy: 0.8134568728114834
Energy: 0.62833962054197
Energy: 0.61480597947101
Energy: 0.6283396205427568
Energy: 0.6142615150483833
Energy: 0.6287455769646256
Energy: 0.8854723972613127
Energy: 0.6287455769638387
Energy: 0.5894314886106871
Energy: 0.6466535119456721
Energy: 0.6127489309188272
Energy: 0.6466535119448851
Energy: 0.6165691476248772
Energy: 0.6466377264248014
Energy: 0.9908008902264113
Energy: 0.6466377264255884
Energy: 0.5829109304581294
Energy: 0.6124366842450355
Energy: 0.647031459928995
Energy: 0.6124366842442487
Energy: 0.6143633128730067
Energy: 0.6291669108880035
Energy: 1.187817201048143
Energy: 0.6291669108864297
Energy: 0.6009789201924158
Energy: 0.6461425662220699
Energy: 1.0398677087629873
Energy: 0.646142566221283
Energy: 0.6166353619168751
Energy: 0.9143466491735693
Energy: 1.1877825210287647
Energy: 0.9143466491735693
Energy: 0.8594886790522909
Energy: 0.7092115332800148
Energy: 0.6470554261702134
Energy: 0.7092115332768671
Energy: 0.6143332763314227
Energy: 0.6291284319796543
Energy: 1.0136609809108377
Energy: 0.6291284319819793
Energy: 0.8649161944087592
Energy: 0.6457144291859401
Energy: 0.6127237972762954
Energy: 0.6457144291914128
Energy: 0.616701629125449
Energy: 0.9127734698714967
Energy: 0.8153508247185748
Energy: 0.9127734698707097
Energy: 0.8559847996233824
Energy: 0.7097399081872197
Energy: 0.6149515434748074
Energy: 0.7097399081856457
Energy: 0.6143489622220732
Energy: 0.646373557072576
Energy: 0.6016759247622012
Energy: 0.6463735570733629
Energy: 0.8793605824820824
Energy: 0.6457781357784069
Energy: 0.6191927138249116
Energy: 0.6457781357799807
Energy: 0.6495477365684525
Energy: 0.9134056626573522
Energy: 0.5934012509048511
Energy: 0.9134056626581392
Energy: 1.1877827034116675
Energy: 0.9318073978684827
Energy: 0.6150417897071488
Energy: 0.9318073978692696
Energy: 1.0366966258075136
Energy: 0.6460376931054569
Energy: 0.6002646768386417
Energy: 0.6460376931046701
Energy: 1.0435322784599834
Energy: 0.9135183169353427
Energy: 0.6192399381090672
Energy: 0.9135183169345558
Energy: 0.6490427460762347
Energy: 0.7076946910946176
Energy: 0.5897590746649377
Energy: 0.7076946910938307
Energy: 1.0103780016821082
Energy: 1.1700392394862666
Energy: 0.615228185914327
Energy: 1.1700392394862666
Energy: 0.6145925922410848
Energy: 0.6458374282067441
Energy: 0.8630288240343544
Energy: 0.6458374282051703
Energy: 0.6289521272797947
Energy: 0.9127034815626356
Energy: 0.619322776115961
Energy: 0.9127034815634225
Energy: 0.6168699470701451
Energy: 0.7077953334399079
Energy: 0.8554323544745794
Energy: 0.7077953334430557
Energy: 0.5981540578091208
Energy: 0.9492503207318903
Energy: 0.6171456705757193
Energy: 0.9492503207295295
Energy: 0.6186338002798354
Energy: 0.645740690830491
Energy: 0.876859839719868
Energy: 0.6457406908336386
Energy: 0.6025858211310512
Energy: 0.9135954450083994
Energy: 0.6523795328522791
Energy: 0.9135954450091864

minimum gb energy = 0.5822120377153783 eV
minimum distance =  2.29373294511609 Angstroms
sigma value = 15


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

Energy: 0.9408446526268655
Energy: 0.5755567905183135
Energy: 0.5461389706117379
Energy: 0.5755567905169802
Energy: 1.3444127928672667
Energy: 0.5732265382089995
Energy: 0.5743352789392518
Energy: 0.5732265382049997
Energy: 0.6005008268028142
Energy: 0.5728338727975496
Energy: 0.5421377410234256
Energy: 0.5728338727962164
Energy: 1.0524654458728828
Energy: 0.5728002122485027
Energy: 0.5742536332702622
Energy: 0.5728002122511693
Energy: 0.5723592852976334
Energy: 0.6297077778691716
Energy: 0.9039023034974305
Energy: 0.6297077778625053
Energy: 0.9029681532914333
Energy: 0.5734983592936236
Energy: 0.574390363077104
Energy: 0.5734983592916237
Energy: 0.5739525749870988
Energy: 0.586510572845428
Energy: 0.557984771929234
Energy: 0.586510572845428
Energy: 0.7297284805155139
Energy: 0.5872142921557933
Energy: 0.5740992507662901
Energy: 0.5872142921531268
Energy: 0.5753749729569074
Energy: 0.5876955597016006
Energy: 0.7403567673322135
Energy: 0.5876955596996007
Energy: 0.5502998711687818
Energy: 0.5733433348209972
Energy: 0.5728913855402149
Energy: 0.5733433348196639
Energy: 0.5739498306170492
Energy: 0.5730567701388555
Energy: 1.0494540094161535
Energy: 0.5730567701395222
Energy: 0.5442179143301965
Energy: 0.5731676634106279
Energy: 0.6007576025223155
Energy: 0.5731676634079612
Energy: 0.5753962106493782
Energy: 0.5876113931622619
Energy: 1.2022387983669975
Energy: 0.587611393163595
Energy: 0.5490662357433784
Energy: 0.573518624982041
Energy: 0.9372063750432279
Energy: 0.5735186250173725
Energy: 0.5737687782710007
Energy: 0.574201799569861
Energy: 1.200350813611624
Energy: 0.5742017995631946
Energy: 0.7771138440012467
Energy: 0.5726796815705396
Energy: 0.6007353569176095
Energy: 0.572679681569873
Energy: 0.5756222516831745
Energy: 0.5869530827449919
Energy: 1.0484779872424317
Energy: 0.5869530827449919
Energy: 0.7765051836703836
Energy: 0.6273110452130479
Energy: 0.5728204036598367
Energy: 0.6273110452130479
Energy: 0.5740253830287194
Energy: 0.5730504141986739
Energy: 0.9006298433089124
Energy: 0.5730504142006737
Energy: 0.770745437062646
Energy: 0.5723598417660338
Energy: 0.5744516600728664
Energy: 0.5723598417667005
Energy: 0.57533336208534
Energy: 0.6013130789815402
Energy: 0.7300602178120831
Energy: 0.6013130789808736
Energy: 0.7865421896144948
Energy: 0.5866102348883383
Energy: 0.5771822062939582
Energy: 0.5866102348896717
Energy: 0.5737402933329209
Energy: 0.5727974362448354
Energy: 0.5506985758596477
Energy: 0.5727974360103022
Energy: 1.098930857923369
Energy: 0.5724982743500885
Energy: 0.5742806027081789
Energy: 0.5724982743507552
Energy: 0.6019904196053227
Energy: 0.6014519247397956
Energy: 0.5372033271877283
Energy: 0.6014519247377957
Energy: 1.0712274022127384
Energy: 0.5867245660051501
Energy: 0.5776501057585834
Energy: 0.5867245660064834
Energy: 0.9355665012742136
Energy: 0.5733536015807449
Energy: 0.5479700975730879
Energy: 0.5733536015867445
Energy: 1.1967735358965672
Energy: 0.5733600448435698
Energy: 0.574589083610624
Energy: 0.5733600448455698
Energy: 0.602083729809352
Energy: 0.6525894785161722
Energy: 0.5395175418706232
Energy: 0.6525894785161722
Energy: 0.9231645981525142
Energy: 0.586674748907421
Energy: 0.5771401470070644
Energy: 0.5866747489040879
Energy: 0.5742715518067565
Energy: 0.62570849545474
Energy: 0.7772184907715963
Energy: 0.6257084958692032
Energy: 0.9019941162646959
Energy: 0.573009374171058
Energy: 0.5745917583565588
Energy: 0.5730093741730579
Energy: 0.5754857638022205
Energy: 0.655031128996539
Energy: 0.7689402192961395
Energy: 0.6550311289925392
Energy: 0.5687900874391076
Energy: 0.6061601738092006
Energy: 0.5772956439344262
Energy: 0.6061601738112006
Energy: 0.55272831970788
Energy: 0.6273692621021447
Energy: 0.7839148609156222
Energy: 0.627369262072813
Energy: 0.5478819707407715
Energy: 0.5724292244271142
Energy: 0.5757595902770732
Energy: 0.5724292244271142
Energy: 0.5756749786400523
Energy: 0.6569214380878778
Energy: 1.0957276120883128
Energy: 0.6569214358949623

minimum gb energy = 0.5372033271877283 eV
minimum distance =  2.33331948362457 Angstroms
sigma value = 85


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

Energy: 0.9593887056583034
Energy: 0.5769738002657709
Energy: 0.5727148362079608
Energy: 0.5769738022832721
Energy: 1.394536531431806
Energy: 0.5612453031709507
Energy: 0.521823724872308
Energy: 0.5612453031218324
Energy: 0.9251988326594137
Energy: 0.5729851203473134
Energy: 0.4799519090265645
Energy: 0.572985120349048
Energy: 1.121652422639234
Energy: 0.5622412952720387
Energy: 0.5217255419094327
Energy: 0.5622412952749295
Energy: 0.6454311933774435
Energy: 0.5324900260679085
Energy: 0.6069413619969524
Energy: 0.5324900260731121
Energy: 0.9868400863479304
Energy: 0.5737616019054119
Energy: 0.5221186295683039
Energy: 0.5737616019042556
Energy: 0.606125580301251
Energy: 0.5805540884331079
Energy: 0.5808333936972034
Energy: 0.5805540884325296
Energy: 0.852409270675146
Energy: 0.560919254792315
Energy: 0.5327908392429963
Energy: 0.5609192547917369
Energy: 0.5322412813714932
Energy: 0.5404774762343334
Energy: 0.7404674901671568
Energy: 0.5404774762337553
Energy: 0.7046494377717513
Energy: 0.5737472022056513
Energy: 0.6058986939254196
Energy: 0.5737472022062294
Energy: 0.5224388861134668
Energy: 0.5609453951130363
Energy: 1.0614444807048806
Energy: 0.5609453951130363
Energy: 0.5392777186025763
Energy: 0.5603389369397139
Energy: 0.6445046471498754
Energy: 0.5603389369397139
Energy: 0.521588599147595
Energy: 0.5406840806212471
Energy: 1.1236707170417364
Energy: 0.5406840806200907
Energy: 0.4543513957279871
Energy: 0.5752027812173415
Energy: 0.9232493652495807
Energy: 0.5752027812173415
Energy: 0.5226094037079618
Energy: 0.5617644570831217
Energy: 1.2593177989642297
Energy: 0.5617644570819652
Energy: 0.4565819619102244
Energy: 0.5602380828531347
Energy: 0.8892575573595776
Energy: 0.5602380828924242
Energy: 0.5216167755994638
Energy: 0.5416181003422714
Energy: 1.1902322511937424
Energy: 0.5416181003405369
Energy: 0.6660818773961412
Energy: 0.5737287354378574
Energy: 0.9232362981224098
Energy: 0.5737287357765078
Energy: 0.5225011192594261
Energy: 0.5623903563489463
Energy: 1.1218303529727724
Energy: 0.5623903563495245
Energy: 0.6699577737497021
Energy: 0.561374839946098
Energy: 0.6444604929143803
Energy: 0.5613748399143249
Energy: 0.5223063300120337
Energy: 0.55145507987348
Energy: 0.9875248447010105
Energy: 0.55145507987348
Energy: 0.7435009731588086
Energy: 0.5611141409039178
Energy: 0.6057877309443139
Energy: 0.5611141408813953
Energy: 0.5340842492608322
Energy: 0.5605754979739719
Energy: 0.8523328421833932
Energy: 0.5605754979739719
Energy: 0.7718893026346942
Energy: 0.5805519352887555
Energy: 0.5328416158036154
Energy: 0.5805519352980063
Energy: 0.6060421729309013
Energy: 0.5606682552184019
Energy: 0.7048003083571122
Energy: 0.5606682552166674
Energy: 1.08535721140496
Energy: 0.5616102226941273
Energy: 0.5240119960195879
Energy: 0.5616102226941273
Energy: 0.6450373350416219
Energy: 0.5602565825689722
Energy: 0.5408521049074339
Energy: 0.5602565825701286
Energy: 1.0159553458625525
Energy: 0.5803408882288411
Energy: 0.5218387697584093
Energy: 0.5803408882265284
Energy: 0.9221930556044606
Energy: 0.5712841077133888
Energy: 0.4548018191539164
Energy: 0.5712841077133888
Energy: 1.2664003085821274
Energy: 0.5610327762009379
Energy: 0.5238419987629087
Energy: 0.5610327761795719
Energy: 0.9564085335864778
Energy: 0.5717583945784858
Energy: 0.45741805265531993
Energy: 0.5717584496930249
Energy: 1.1512983586225374
Energy: 0.5806919059340452
Energy: 0.5218902003104918
Energy: 0.580691905933467
Energy: 0.9222603621053186
Energy: 0.5713431149934516
Energy: 0.45094014609511596
Energy: 0.5713431149922952
Energy: 1.1280756105540501
Energy: 0.5610205868105257
Energy: 0.5239339252590846
Energy: 0.5610205868064785
Energy: 0.6451630886554504
Energy: 0.5607131157448642
Energy: 0.6709148295718499
Energy: 0.5607131157529586
Energy: 0.8822687492728927
Energy: 0.5909873552485227
Energy: 0.5233132414364267
Energy: 0.5909873552433194
Energy: 0.6060942719315592
Energy: 0.5603309304128592
Energy: 0.747754943669546
Energy: 0.5603309304128592
Energy: 0.8522918595551591
Energy: 0.5605777325892323
Energy: 0.5354818006455122
Energy: 0.560577732588076
Energy: 0.5340090674393171
Energy: 0.7894676544598112
Energy: 0.7713986663004243
Energy: 0.7894676544603894
Energy: 0.5687250617675507
Energy: 0.6010480418394963
Energy: 0.6069843111300196
Energy: 0.6010480418406526
Energy: 0.5259501068937763
Energy: 0.560313114164402
Energy: 1.038812081558506
Energy: 0.5603131141638239
Energy: 0.5408852532411274
Energy: 0.5613660630792089
Energy: 0.6468288577287625
Energy: 0.5613660630873032
Energy: 0.5229143964530827
Energy: 0.7898726728462431
Energy: 1.0678359713707324
Energy: 0.7898726728450868

minimum gb energy = 0.45094014609511596 eV
minimum distance =  2.28959482680136 Angstroms
sigma value = 113


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

Energy: 0.01859440335279737
Energy: 0.01906152348533895
Energy: 0.7441255227354867
Energy: 0.019061523485783424
Energy: 0.7435382278922764
Energy: -0.5127363171404249
Energy: -0.5105800778574654
Energy: -0.5127363171404249
Energy: 0.01859440335279737
Energy: 0.01906152348494387
Energy: 0.7440315327115592
Energy: 0.019061523485783424
Energy: 0.7435382278918815
Energy: -0.5127363171408694
Energy: -0.5105800778579098
Energy: -0.5127363171404249
Energy: 0.01859440335279737
Energy: 0.01906152348533895
Energy: 0.7440322814491563
Energy: 0.019061523486227888
Energy: 0.7435382278918815
Energy: -0.5127363171413138
Energy: -0.5105800778570209
Energy: -0.5127363171408694

minimum gb energy = -0.5127363171413138 eV
minimum distance =  2.46747347344639 Angstroms
sigma value = 1