Model name: model_name=MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650822877884
cohesive_energy=3.3602642806077516
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.94765107381162e-19, 4.1539633589717995e-19, 4.3350093186138e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-17]
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: 0.011713306566188257
Energy: 0.06258543779030706
Energy: 0.06163555515987784
Energy: 0.0614729513399401
Energy: 0.012293179246024187
Energy: 0.012627897545139882
Energy: 0.06204102597187553
Energy: 0.061558200338753186
Energy: 0.06148534851493731
Energy: 0.012250325380107396
Energy: 0.06168416750510922
Energy: 0.23956022689651982
Energy: 0.06235818865214536
Energy: 0.061309677903317185
Energy: 0.061402997689360646
Energy: 0.0617261224218554
Energy: 0.06117547637810708
Energy: 0.062203917297378834
Energy: 0.061379828697889556
Energy: 0.061560412904930306
Energy: 0.061460224077296476
Energy: 0.012292478181860382
Energy: 0.012031160105173805
Energy: 0.06223093830176316
Energy: 0.061379155679747006
Energy: 0.061408142366979036
Energy: 0.012200513966973995
Energy: 0.012024924912623436
Energy: 0.06167413644593362
Energy: 0.06150510187648093
Energy: 0.06140266299987526
Energy: 0.012307511164256326
Energy: 0.01225094130779646
Energy: 0.06134944677061503
Energy: 0.061532444445881025
Energy: 0.06135974912681912
Energy: 0.012176675589656301
Energy: 0.01213022100895662
Energy: 0.2408305173841659
Energy: 0.061514091584119315
Energy: 0.061393556589426294
Energy: 0.0614752369545865
Energy: 0.06140246683235366
Energy: 0.012056818608519853
Energy: 0.012157299408508716
Energy: 0.06140878470752479
Energy: 0.061524046358387936
Energy: 0.06147433471363046
Energy: 0.01220510632516123
Energy: 0.2395959268342068
Energy: 0.06140601476070983
Energy: 0.061179333897738136
Energy: 0.06166637845290276
Energy: 0.0121480801341084
Energy: 0.01227720993897292
Energy: 0.06127851462878784
Energy: 0.06129676542305184
Energy: 0.06246210688266071
Energy: 0.012215622584433261
Energy: 0.012285533021589912
Energy: 0.012419164693819382
Energy: 0.061218308886626535
Energy: 0.06141535989656467
Energy: 0.06317903559274526
Energy: 0.061346354469324765
Energy: 0.012479806496983907
Energy: 0.06126529716021506
Energy: 0.061443845616081676
Energy: 0.06191283586538422
Energy: 0.061433483274651646

minimum gb energy = 0.011713306566188257 eV
minimum distance =  2.82515437338441 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.6223050684459837
Energy: 0.5929201937440517
Energy: 0.5943118371700891
Energy: 0.6315486263738761
Energy: 0.7971942923471095
Energy: 0.6309841212473986
Energy: 0.5911863168886706
Energy: 0.591432599723136
Energy: 0.6170282283678691
Energy: 0.6122441355894854
Energy: 0.7104159474508033
Energy: 0.628721925899816
Energy: 0.5381936600648267
Energy: 0.5844813368640954
Energy: 0.5861932840598659
Energy: 0.6864068380357
Energy: 0.5952479441064527
Energy: 0.5324342767105963
Energy: 0.5975006590476004
Energy: 0.5844927808325281
Energy: 0.7068157872978453
Energy: 0.5156789894954764
Energy: 0.5720573102233688
Energy: 0.5548865339538953
Energy: 0.5541992906993193
Energy: 0.7070141929784627
Energy: 0.5180158311271802
Energy: 0.610771820182265
Energy: 0.5874184641686353
Energy: 0.5824009476306132
Energy: 0.6498240253315933
Energy: 0.5150351114715299
Energy: 0.5526634803739847
Energy: 0.5545494128283361
Energy: 0.5517938270050471
Energy: 0.6174957513642154
Energy: 0.5997910446808922
Energy: 0.5957984238958114
Energy: 0.5861117310216748
Energy: 0.5907811449918963
Energy: 0.589627159871812
Energy: 0.7031922851332201
Energy: 0.553767909260422
Energy: 0.5592447399650254
Energy: 0.5582737294842376
Energy: 0.5896448702083928
Energy: 0.6948796843863245
Energy: 0.5554894878878466
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Energy: 0.6966629560382549
Energy: 0.8238342717153886
Energy: 0.5763231038959342
Energy: 0.5535792872088472
Energy: 0.6665122497755425
Energy: 0.6727448760825159
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Energy: 0.5780766631530441
Energy: 0.5542736051624363
Energy: 0.6721809006171833
Energy: 0.6007421909246013
Energy: 0.6048914285690156
Energy: 0.603559577154668
Energy: 0.568482421506097
Energy: 0.5415554783182381
Energy: 0.6010807966497063
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Energy: 0.6009199922288164
Energy: 0.5576284199527086
Energy: 0.6071172281403123
Energy: 0.5976558679890686
Energy: 0.6357463249894708
Energy: 0.6320156618665127
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Energy: 0.6355884753101054
Energy: 0.5986362909867021
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Energy: 0.5416676082796857
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Energy: 0.6053156818273535
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Energy: 0.6041308716719181
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Energy: 0.6958701379882051
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Energy: 0.5890505706710756
Energy: 0.6038188871979993
Energy: 0.6529360232451071
Energy: 0.6564304190207324
Energy: 0.7949985667386232
Energy: 0.631902675672144
Energy: 0.6014220726497191
Energy: 0.603130786826991
Energy: 0.6325187373998516
Energy: 0.7949750726446091
Energy: 0.6318341727076245
Energy: 0.6002952979220012
Energy: 0.605260921491333
Energy: 0.632832440686184
Energy: 0.568986670255314
Energy: 0.7076647190837032
Energy: 0.6326103514475379
Energy: 0.5425857782525813
Energy: 0.5414345439637027
Energy: 0.5695835744393885
Energy: 0.6326961804926983
Energy: 0.6042071497567137
Energy: 0.5437686713457202
Energy: 0.5428347532191571
Energy: 0.5544287513075399
Energy: 0.7041113751978774
Energy: 0.5164258191000354
Energy: 0.6013394767177597
Energy: 0.5547384463652931
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Energy: 0.70482269878389
Energy: 0.5195781284158714
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Energy: 0.5547696746152223
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Energy: 0.5172327108567808
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Energy: 0.556658858761241
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Energy: 0.5541968152985677
Energy: 0.6034052233545378
Energy: 0.705851587163985
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Energy: 0.5987669683514037
Energy: 0.7120907236712899
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Energy: 0.5972761306567598
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Energy: 0.5848448107322167
Energy: 0.5528551673178617
Energy: 0.6330766667134806
Energy: 0.6656679425256575
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Energy: 0.5852057626900883
Energy: 0.5578315757501484
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Energy: 0.6035359601602678
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Energy: 0.5797817860637301
Energy: 0.5586414755397116
Energy: 0.6049873088740402
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Energy: 0.6347853115934597
Energy: 0.7012300926543384
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Energy: 0.5976664479927277
Energy: 0.6342047658264707
Energy: 0.6682842704824262
Energy: 0.5436473749139159
Energy: 0.6041880303954106
Energy: 0.6054610845382005
Energy: 0.5406356163674405
Energy: 0.5858492403752643
Energy: 0.6582634357774514
Energy: 0.6331314379681898
Energy: 0.605588958710481
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Energy: 0.5698003116451472
Energy: 0.656825202586794
Energy: 0.6339839116374103
Energy: 0.5428156045085505
Energy: 0.5568553149341905
Energy: 0.5553493650644542
Energy: 0.6115943495837128
Energy: 0.5130071832753591
Energy: 0.5423973568768936
Energy: 0.5542570365315824
Energy: 0.5542667969135902
Energy: 0.5731332059769739
Energy: 0.5130672908054759
Energy: 0.6134264457510654
Energy: 0.5514355261082916
Energy: 0.5567011711426102
Energy: 0.5983943454393568
Energy: 0.5178495075489219
Energy: 0.6083769224912686
Energy: 0.5548931475050044
Energy: 0.5545387930542641
Energy: 0.6059750059395637
Energy: 0.5190750526082737
Energy: 0.6986770088885408
Energy: 0.5573967172041299
Energy: 0.5582975659125219
Energy: 0.5929296092190134
Energy: 0.6802671623431051
Energy: 0.6709183957809833
Energy: 0.5590323128163525
Energy: 0.5574599256313949
Energy: 0.600544507343176
Energy: 0.6279116331663096
Energy: 0.5871489559215736
Energy: 0.6322040864852976
Energy: 0.7077557498876961
Energy: 0.5847304889194898
Energy: 0.6847156359129842
Energy: 0.559552227734588
Energy: 0.7086502480550071
Energy: 0.6978824938039029
Energy: 0.8209538568080794
Energy: 0.6878138810559565
Energy: 0.6106969658867759
Energy: 0.5947558893588233
Energy: 0.6069167812281868
Energy: 0.6444780532350171
Energy: 0.6993250558492162
Energy: 0.5819982309621273
Energy: 0.5843032522482053
Energy: 0.5897014335175197
Energy: 0.6433281370519259
Energy: 0.6556018280463031
Energy: 0.5845687982690674
Energy: 0.5357601958889965
Energy: 0.5927399707824705
Energy: 0.5945379108228112
Energy: 0.6318327903605105
Energy: 0.5944354506596354
Energy: 0.5410195805595958
Energy: 0.5905193784061699
Energy: 0.590734085085097
Energy: 0.6176648052180099

minimum gb energy = 0.5130071832753591 eV
minimum distance =  2.47193841805736 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.6014124577267677
Energy: 0.5953692390584313
Energy: 0.6052197137945422
Energy: 0.7204423340575895
Energy: 0.9408547889479891
Energy: 0.6051056958793544
Energy: 0.5991722477161253
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Energy: 0.5788586344155204
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Energy: 0.5724258542019443
Energy: 0.6660176843766297
Energy: 0.7768100560051204
Energy: 0.6045749158016498
Energy: 0.573824732141415
Energy: 0.6059278434766231
Energy: 0.5705019321222674
Energy: 0.7763657769509906
Energy: 0.605302444142072
Energy: 0.6034303709352952
Energy: 0.6052193033559182
Energy: 0.5875974173315395
Energy: 0.5919216130171527
Energy: 0.5767970491408775
Energy: 0.5883838067930348
Energy: 0.602082924611674
Energy: 0.5322161142383831
Energy: 0.5713856833001687
Energy: 0.577553220163012
Energy: 0.6203230256566087
Energy: 0.6020792732852265
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Energy: 0.571159712355089
Energy: 0.5950012628474629
Energy: 0.6119367255661479
Energy: 0.5426329786504243
Energy: 0.5861421225836342
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Energy: 0.620018981201479
Energy: 0.6029001867308883
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Energy: 0.569266717068026
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Energy: 0.5774043371443076
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Energy: 0.6167483926166433
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Energy: 0.5520054047775557
Energy: 0.5680392131225526
Energy: 0.601663048805248
Energy: 0.6094136167755771
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Energy: 0.5744116115035037
Energy: 0.7039244231761995
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Energy: 0.6402258270518638
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minimum gb energy = 0.5311958732889414 eV
minimum distance =  2.5356485138106 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.6362170425493359
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Energy: 0.6678347212271455
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Energy: 0.650353055040674
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Energy: 0.5737460249053199
Energy: 0.6463373299657985
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Energy: 0.6346395436854415
Energy: 0.6348060067763953
Energy: 0.6673074069370054
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Energy: 0.6399339382391629
Energy: 0.6465612102302893
Energy: 0.638151132889701
Energy: 0.6351488436807164
Energy: 0.6365348383474921
Energy: 0.6359714761336656
Energy: 0.6495408544001787
Energy: 0.6160570280799723
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Energy: 0.6306089949683544
Energy: 0.6310280935179279
Energy: 0.6327945586054194
Energy: 0.6041697722752836
Energy: 0.662615367903246
Energy: 0.5844301322495394
Energy: 0.6367102241243762
Energy: 0.6350241917243752
Energy: 0.60488208439025
Energy: 0.6465382541686109
Energy: 0.6406498919318748
Energy: 0.6355971405976971
Energy: 0.6345681565914765
Energy: 0.6041352526023036
Energy: 0.6619093648486845
Energy: 0.5973787491581445
Energy: 0.6399942846355914
Energy: 0.638391509486495
Energy: 0.5749222030683367
Energy: 0.64950493945289
Energy: 0.5973634248670316
Energy: 0.6393946543661219
Energy: 0.6402217843874348
Energy: 0.5767330702072097
Energy: 0.6592699598007618
Energy: 0.639377404370062
Energy: 0.6740706147476591
Energy: 0.7370711623294028
Energy: 0.6645101832322412
Energy: 0.5962618011079145
Energy: 0.682309744523619
Energy: 0.6760435772823765
Energy: 0.7358179507589881
Energy: 0.6875609132135252
Energy: 0.6349266042117871
Energy: 0.5956738856251166
Energy: 0.5902560143853365
Energy: 0.6093572015013808
Energy: 0.6305923110214329
Energy: 0.6319110070089098
Energy: 0.5929565847395932
Energy: 0.5963391597834496
Energy: 0.6223635418202195
Energy: 0.638408821518466
Energy: 0.6049758554552017
Energy: 0.5925130558981714
Energy: 0.5883526408837185
Energy: 0.5885421766417186
Energy: 0.6032031963762331
Energy: 0.6008982154539609
Energy: 0.5935503125650904
Energy: 0.5862505192421619
Energy: 0.5884070218368922
Energy: 0.6787701696496251

minimum gb energy = 0.5547034202509478 eV
minimum distance =  2.49026335495947 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.7209165156797175
Energy: 0.608113273900786
Energy: 0.5691832041564359
Energy: 0.6215815157129543
Energy: 0.6375871535126305
Energy: 0.7214103036960959
Energy: 0.6208086485174408
Energy: 0.5692101524614164
Energy: 0.6214197516173035
Energy: 0.6373789540595275
Energy: 0.6467407411328824
Energy: 0.6211105643161069
Energy: 0.607929447786714
Energy: 0.6083921596182357
Energy: 0.6090875720052885
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Energy: 0.6230256774639682
Energy: 0.6072833174774247
Energy: 0.6092762200283837
Energy: 0.6072035171952838
Energy: 0.6087702633276053
Energy: 0.7045302611203083
Energy: 0.6447167747813356
Energy: 0.6080432951736326
Energy: 0.6372149770050594
Energy: 0.6081831903983165
Energy: 0.6462017844317962
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Energy: 0.6374525847604353
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Energy: 0.6078858873324
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Energy: 0.6067605909162395
Energy: 0.658425027017562
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Energy: 0.6078539893870466
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Energy: 0.6455616240976514
Energy: 0.6595731509431294
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Energy: 0.6373771160542433
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Energy: 0.6086506826178717
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Energy: 0.5619662413923048
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Energy: 0.6082697184847008
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Energy: 0.6369589263026746
Energy: 0.6074605982130714
Energy: 0.6199224710177522
Energy: 0.6083615303882862
Energy: 0.607557579319983
Energy: 0.6089163207965815
Energy: 0.6467646624684873
Energy: 0.6197442986590366
Energy: 0.6080758979152046
Energy: 0.6075276075997197
Energy: 0.6092859029711437
Energy: 0.6084056972273394
Energy: 0.6082267760547211
Energy: 0.6331876566134559
Energy: 0.6443712603879309
Energy: 0.723623247479579
Energy: 0.660143942395483
Energy: 0.6084580742638858
Energy: 0.6320870788291529
Energy: 0.6449296349574785
Energy: 0.7232322938834009
Energy: 0.623053018657145
Energy: 0.6089991648799276
Energy: 0.6078552919199817
Energy: 0.6072256612988018
Energy: 0.6231800679172349
Energy: 0.6232915315553471
Energy: 0.6778419745161324
Energy: 0.6075340230775735
Energy: 0.6068326320400441
Energy: 0.6377490710390779
Energy: 0.6067494173468081
Energy: 0.6064917273374493
Energy: 0.6064601339563742
Energy: 0.6251163040890473
Energy: 0.5692901573398766
Energy: 0.6051957738465387
Energy: 0.6998947125628129
Energy: 0.6064622957550385
Energy: 0.6253724072894665
Energy: 0.5702596092089964
Energy: 0.6068769111149191
Energy: 0.6431116357304615
Energy: 0.6074143950989229
Energy: 0.5656956625035451
Energy: 0.6081210838116229
Energy: 0.607420797826403
Energy: 0.6185828882319536
Energy: 0.5691342782844485
Energy: 0.5639013933994116
Energy: 0.6086069681722331
Energy: 0.6082134777719599
Energy: 0.6078933939447752
Energy: 0.622465420290636
Energy: 0.5703560471363829
Energy: 0.6223004895790172
Energy: 0.662280052960595
Energy: 0.6077502135257573
Energy: 0.6222517348704857
Energy: 0.5713117294025025
Energy: 0.6214014731225503

minimum gb energy = 0.5619662413923048 eV
minimum distance =  2.57324526944329 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.6683158123929559
Energy: 0.5646996282168469
Energy: 0.5397826938847547
Energy: 0.568026918129335
Energy: 0.5812400073762906
Energy: 0.5824314449730863
Energy: 0.5647210730733753
Energy: 0.592590203201447
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Energy: 0.5807666778066785
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Energy: 0.6713791942706921
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Energy: 0.5814903839115816
Energy: 0.5812967877705526
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Energy: 0.5808952705497997
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Energy: 0.5835732275406986
Energy: 0.581524725567496
Energy: 0.585753852749141
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Energy: 0.6248426174034457
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Energy: 0.5592885029264827
Energy: 0.5566359500282594
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Energy: 0.6017199434921049
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Energy: 0.5588682690851874
Energy: 0.5571998626212035
Energy: 0.5913200604373496
Energy: 0.6212263386790321
Energy: 0.5584622628192891
Energy: 0.5663624694673917
Energy: 0.5668043252007743
Energy: 0.5893822838609859
Energy: 0.6250928976659512
Energy: 0.5579916947851298
Energy: 0.5657865236447999
Energy: 0.566830783330866
Energy: 0.5810308368122582
Energy: 0.5807568925141855
Energy: 0.5801347022945484
Energy: 0.5896267137866165
Energy: 0.5594007548440416
Energy: 0.5847676316166113
Energy: 0.5807087204460497
Energy: 0.579478498024564
Energy: 0.5891695119306559
Energy: 0.5585960357119321
Energy: 0.6715895791666002
Energy: 0.5594704197033614
Energy: 0.5870304954500862
Energy: 0.5573782680489056
Energy: 0.5872268533567746
Energy: 0.583905224548493
Energy: 0.5589886173779197
Energy: 0.5842139358600003
Energy: 0.5593992593668755
Energy: 0.5913154462634126

minimum gb energy = 0.5357617878723073 eV
minimum distance =  2.61180904613331 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.4021450111599136
Energy: 0.40087303350667874
Energy: 0.4004315985584155
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Energy: 0.27657089104874405
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Energy: 0.38107410614270626
Energy: 0.3986480874659104
Energy: 0.3981122902261957
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Energy: 0.2960942707798011
Energy: 0.394405800046615
Energy: 0.40358878181882224
Energy: 0.3904833047273494
Energy: 0.27699305476031
Energy: 0.2800356141739399
Energy: 0.38908783714810785
Energy: 0.40223508716799034
Energy: 0.40797940704567437
Energy: 0.2953256966769567
Energy: 0.2988004107533713
Energy: 0.40490090229892106
Energy: 0.3956662073867817
Energy: 0.40229054843145545
Energy: 0.3807851069793285
Energy: 0.39684420242991075
Energy: 0.40636149447921727
Energy: 0.403351921726511
Energy: 0.3912408969992876
Energy: 0.3853766442403284
Energy: 0.42479073398508277
Energy: 0.39631730056317593
Energy: 0.39591320966107263
Energy: 0.3874414478820224
Energy: 0.33391135819728696
Energy: 0.40287683655597606
Energy: 0.42554723304385256
Energy: 0.3991977785340016
Energy: 0.3910904629931163
Energy: 0.2765140166801705
Energy: 0.4198023991470096
Energy: 0.419434900552037
Energy: 0.4176583363669501
Energy: 0.33377828664122855

minimum gb energy = 0.27640442989139496 eV
minimum distance =  2.68635706006829 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.6287543806622983
Energy: 0.5251684461513058
Energy: 0.526739002643037
Energy: 0.5279203167866868
Energy: 0.5355315517969518
Energy: 0.5855573491951345
Energy: 0.5258580919549471
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Energy: 0.5355172953034654
Energy: 0.5358403108793058
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Energy: 0.5390983647407408
Energy: 0.5853926129669403
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Energy: 0.5500419180511151
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Energy: 0.5257749716382789
Energy: 0.5849637386657971
Energy: 0.5439027285502256
Energy: 0.5384598869204064
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Energy: 0.5330317933887533
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Energy: 0.5258318631472774
Energy: 0.5382614006044387
Energy: 0.5679039432502084
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Energy: 0.5263675809518239
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Energy: 0.5371258976220763
Energy: 0.5366377291197224
Energy: 0.5196547897929797
Energy: 0.5072079569837203
Energy: 0.5250130445663375
Energy: 0.5372765928243411
Energy: 0.5369552956165193
Energy: 0.5197223962098129
Energy: 0.5252524415763161
Energy: 0.5250232599997132
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Energy: 0.5485566047170372
Energy: 0.5253349652526755
Energy: 0.5447933715254778
Energy: 0.5197706886136221
Energy: 0.5455705201486065

minimum gb energy = 0.5064401419499466 eV
minimum distance =  2.53195752081733 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.8376369669292562
Energy: 0.649838504904741
Energy: 0.6247035164679137
Energy: 0.6363560088987887
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Energy: 0.6290086826391502
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Energy: 0.6496479518953763
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Energy: 0.6431258215708722
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Energy: 0.5866823334536706
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Energy: 0.6242941225656249
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Energy: 0.6288785257606675
Energy: 0.6850667095951195
Energy: 0.6519442948003835
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Energy: 0.6842042297613963
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Energy: 0.630133045193919
Energy: 0.6519775450567571
Energy: 0.6133920569369072
Energy: 0.6846417184186477
Energy: 0.5977495779850233
Energy: 0.6299711489092881
Energy: 0.6847612045401821
Energy: 0.6521755658418843
Energy: 0.6302733810518365
Energy: 0.6238065047772945
Energy: 0.6678463511768579
Energy: 0.6519086954668455
Energy: 0.6520408524406823
Energy: 0.6303762382571266
Energy: 0.653548368363296
Energy: 0.6692811408790623
Energy: 0.6714982720703193
Energy: 0.6382892355735764
Energy: 0.6021050126894941
Energy: 0.6040025309203013
Energy: 0.647440440482117
Energy: 0.7057443296311229
Energy: 0.6393197825951068
Energy: 0.6028656489700652
Energy: 0.60208442297848
Energy: 0.646854625570049

minimum gb energy = 0.5866823334536706 eV
minimum distance =  2.5720315853443 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.9573383688626087
Energy: 0.6991205023113737
Energy: 0.6718460997986375
Energy: 0.6343899960198572
Energy: 0.67481992840859
Energy: 0.9576162516135284
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Energy: 0.6214026457968977
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Energy: 0.6624711796640489
Energy: 0.6329209896633855
Energy: 0.6481323309118633
Energy: 0.7050671514515429
Energy: 0.7145555093926288
Energy: 0.6618524981256904
Energy: 0.6336080954990972
Energy: 0.6506635734171038
Energy: 0.6477098526058448
Energy: 0.6592427576971965
Energy: 0.6223507435243631
Energy: 0.65254482956987
Energy: 0.6522304306074215
Energy: 0.6685633331176686
Energy: 0.6761765387588479
Energy: 0.6675789992662955
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minimum gb energy = 0.6188277692120137 eV
minimum distance =  2.52269211106208 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.6734144773752966
Energy: 0.6196974194209249
Energy: 0.6384448967171027
Energy: 0.6392056131300619
Energy: 0.6205345248394475
Energy: 0.6735189474480364
Energy: 0.6865131601449428
Energy: 0.7047043308069293
Energy: 0.6190538215541168
Energy: 0.6189734390522441
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Energy: 0.661568622716363
Energy: 0.6558447443821704
Energy: 0.6184789728907854
Energy: 0.6553941461133285
Energy: 0.5955176882241627
Energy: 0.6804499565746901
Energy: 0.6189573967739276
Energy: 0.6202369865262176
Energy: 0.6655138351031346
Energy: 0.5956675974639367
Energy: 0.6704375680703227
Energy: 0.6191515682042535
Energy: 0.619122970445434
Energy: 0.6656402483002258
Energy: 0.6552061914557998
Energy: 0.6392572484938444
Energy: 0.6197065965563116
Energy: 0.6192945335015956
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Energy: 0.59690032680902
Energy: 0.6196667504710901
Energy: 0.6409975414233067
Energy: 0.6733419352915664
Energy: 0.6334354178604186
Energy: 0.7030900656716266
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Energy: 0.6183217247313156
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Energy: 0.6193611134198758
Energy: 0.6559109334735249
Energy: 0.6196416280592831
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Energy: 0.6372874231049739
Energy: 0.6647676615866384
Energy: 0.670924353032236
Energy: 0.6202014169633859
Energy: 0.6556595587333472
Energy: 0.6429677783765401
Energy: 0.6430956235962595
Energy: 0.6707750227258216
Energy: 0.6198467192346218
Energy: 0.672162202218655
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Energy: 0.6955162898512777
Energy: 0.6390149329116511
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Energy: 0.6212330543356747
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Energy: 0.6460430387982824
Energy: 0.6347619940884844
Energy: 0.6400523832706835
Energy: 0.6988066384513376
Energy: 0.6814520083896414
Energy: 0.6467620597588134
Energy: 0.6330943425801375
Energy: 0.6390745817180056
Energy: 0.6181878300888227
Energy: 0.6679844804300968
Energy: 0.6702000529840202
Energy: 0.6575257921570719
Energy: 0.6391688821226628
Energy: 0.6184459227617466
Energy: 0.6685300829852674
Energy: 0.636547335909515
Energy: 0.6567707339629107
Energy: 0.6192793688701264
Energy: 0.6724078486766271
Energy: 0.666012741646327
Energy: 0.5950606745788503
Energy: 0.6185039336358816
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Energy: 0.6184483882179858
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Energy: 0.6390043316138976
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Energy: 0.6718266833976617
Energy: 0.6221537612170136
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Energy: 0.6560828094228602
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Energy: 0.6210798375054586
Energy: 0.6201902595741094
Energy: 0.6172417432937766
Energy: 0.6654274830648208
Energy: 0.6689315080383589
Energy: 0.6426807463435775
Energy: 0.6201246830272562
Energy: 0.6173621963618058
Energy: 0.6609016940897076
Energy: 0.6679698936904126
Energy: 0.6423156200514973
Energy: 0.6689250644194017
Energy: 0.6223768282791508
Energy: 0.6368479695444255
Energy: 0.6688130456336112
Energy: 0.596655540952033
Energy: 0.6946115509705019
Energy: 0.6183883442592599
Energy: 0.6687002638890678
Energy: 0.6188206145950429
Energy: 0.5966308876532869
Energy: 0.6404008794481681
Energy: 0.6202937141426479
Energy: 0.6312406341444005
Energy: 0.692029244113701
Energy: 0.5961351391307665
Energy: 0.6702446562250295
Energy: 0.6197999565538035
Energy: 0.6390834399744059
Energy: 0.6933506722239663
Energy: 0.5962788618971882
Energy: 0.6552951613995229
Energy: 0.619642861425544
Energy: 0.6398368736819542
Energy: 0.6933037856057936
Energy: 0.6397599006271751
Energy: 0.6565345321001822
Energy: 0.6195142415688911
Energy: 0.6397344150690737
Energy: 0.6955595873921292
Energy: 0.6350345731966462
Energy: 0.6715948235567749
Energy: 0.6466210202561415
Energy: 0.6706236825593778
Energy: 0.6773220817103777
Energy: 0.678851438407287
Energy: 0.6723310186501764
Energy: 0.6481036415809203
Energy: 0.6708405682248241
Energy: 0.664710369601647
Energy: 0.6426428990101966
Energy: 0.6558726197471338
Energy: 0.6368074962507423
Energy: 0.6557390768760439
Energy: 0.6328876228663854
Energy: 0.6379817668876084
Energy: 0.6355746110117624
Energy: 0.6388193669325545
Energy: 0.7032773762293133
Energy: 0.6572372875807379
Energy: 0.6188497087158272
Energy: 0.6540213051214061
Energy: 0.6406170941589074
Energy: 0.6180218578795609
Energy: 0.6190037840952862
Energy: 0.6739120828868117
Energy: 0.6212989265188062
Energy: 0.639695348415537
Energy: 0.6180151953682833
Energy: 0.6187420121948733
Energy: 0.674084741273154
Energy: 0.5954001410522484
Energy: 0.6688267017057256
Energy: 0.6199191529019842
Energy: 0.6192162484377762
Energy: 0.6386748305547105
Energy: 0.5952388325147042
Energy: 0.6678007541887561
Energy: 0.6671761817703998
Energy: 0.6191252095597891
Energy: 0.5977803096071009

minimum gb energy = 0.5947260572556986 eV
minimum distance =  2.55830757192305 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.5607073375914777
Energy: 0.5695035558028403
Energy: 0.6186327040032487
Energy: 0.6641924178930796
Energy: 0.5606962178229621
Energy: 0.5612661242511893
Energy: 0.5708660074042283
Energy: 0.6188709100124364
Energy: 0.6641569444990403
Energy: 0.5609797172486737
Energy: 0.5966415412692009
Energy: 0.5702414867770035
Energy: 0.5716865003634052
Energy: 0.5707567595803156
Energy: 0.5715667904177686
Energy: 0.5976941069783658
Energy: 0.5706032072888882
Energy: 0.5610325177144773
Energy: 0.6653043085206173
Energy: 0.5703818713117829
Energy: 0.571961371673678
Energy: 0.6634514540360773
Energy: 0.570156666646382
Energy: 0.618793269787564
Energy: 0.5963642184764728
Energy: 0.5722618296470814
Energy: 0.663117004627666
Energy: 0.5699231044123556
Energy: 0.6189196658654241
Energy: 0.5951994843732564
Energy: 0.6198607276917065
Energy: 0.5610008323933595
Energy: 0.561048724317192
Energy: 0.5719561321331477
Energy: 0.5954419950580591
Energy: 0.6192312622036478
Energy: 0.5611005083588668
Energy: 0.5609955385431697
Energy: 0.5723358537856678
Energy: 0.5658975576112235
Energy: 0.6639367155976071
Energy: 0.5608181492529956
Energy: 0.560725742345758
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Energy: 0.5701297472233815
Energy: 0.6654224912241985
Energy: 0.560965622687582
Energy: 0.5608163541015334
Energy: 0.5975012837790915
Energy: 0.5710540470992947
Energy: 0.5705576554604423
Energy: 0.6190944335260529
Energy: 0.6642370674350528
Energy: 0.5703785053075796
Energy: 0.5611261051826182
Energy: 0.6638137664758132
Energy: 0.6188437684700692
Energy: 0.6640272499123573
Energy: 0.5704247406487037
Energy: 0.5843002840836746
Energy: 0.5698699466028917
Energy: 0.5667059830472885
Energy: 0.5716358950467564
Energy: 0.5700235529160049
Energy: 0.597115863566661
Energy: 0.5698755731455725
Energy: 0.5656928085610999
Energy: 0.5722379928811864
Energy: 0.5698077762139728
Energy: 0.5976489752980452
Energy: 0.617057487206563
Energy: 0.5967819588692892
Energy: 0.5696711943284415
Energy: 0.560677335781436
Energy: 0.5610612957226647
Energy: 0.5692590001359842
Energy: 0.6914715460334334
Energy: 0.5697419150194997
Energy: 0.560572664036569
Energy: 0.5608249698952218
Energy: 0.5698858654768122
Energy: 0.5608563092392373
Energy: 0.5706814520914865
Energy: 0.5610086212760914
Energy: 0.5979918933435375
Energy: 0.5701337839739047
Energy: 0.5712722339896985
Energy: 0.5713735581073424
Energy: 0.5609765771549969
Energy: 0.5953623246515313
Energy: 0.5705935697345139
Energy: 0.5700803642675573
Energy: 0.691336137567376
Energy: 0.5698578285649151
Energy: 0.6635956880974396
Energy: 0.5703968217751189
Energy: 0.5702324721291513
Energy: 0.6907301072017877
Energy: 0.5701528597103114
Energy: 0.6637505452005937
Energy: 0.5609796739643027
Energy: 0.5708670552807984
Energy: 0.5709931598025544
Energy: 0.5697972901046308
Energy: 0.5956267720371945
Energy: 0.560919314798527
Energy: 0.57072979707587
Energy: 0.5657292825087206
Energy: 0.5699347812644173
Energy: 0.5962922310806423
Energy: 0.5608249142748759
Energy: 0.5706154471698477
Energy: 0.6185218702257914
Energy: 0.6641038655449419
Energy: 0.5607634482987619
Energy: 0.5613938929215909
Energy: 0.56957443934407
Energy: 0.6187588769770052
Energy: 0.6641909673105871
Energy: 0.5609553310173372
Energy: 0.595748931960056
Energy: 0.5701838467074148
Energy: 0.571001719828076
Energy: 0.5707081466146399
Energy: 0.5711966034054837
Energy: 0.5968157058544132
Energy: 0.5705169260599916
Energy: 0.5610174020420096
Energy: 0.6655265215804489
Energy: 0.5708672505933436
Energy: 0.5702794513072942
Energy: 0.6638320854008379
Energy: 0.5702149702168754
Energy: 0.6186141823527077
Energy: 0.5960538598816761
Energy: 0.5720580259046583
Energy: 0.6635351914338067
Energy: 0.5700002890921869
Energy: 0.6191179169945903
Energy: 0.5953853982278027
Energy: 0.6197646826559714
Energy: 0.5609712471009014
Energy: 0.5610538679178386
Energy: 0.5718000922247386
Energy: 0.5954774101760553
Energy: 0.6193516954902026
Energy: 0.5611190480257654
Energy: 0.5611041913170997
Energy: 0.5721390521651928
Energy: 0.5967809539471405
Energy: 0.6642966194242451
Energy: 0.5608510534868733
Energy: 0.5607241225198979
Energy: 0.5980081278586266
Energy: 0.5702219372408525
Energy: 0.664691974367668
Energy: 0.5610262518107131
Energy: 0.560790741284576
Energy: 0.5713762203013276
Energy: 0.5708756064556387
Energy: 0.5700389406788243
Energy: 0.619333434335699
Energy: 0.6640587754992441
Energy: 0.5714031137376586
Energy: 0.5610375716680521
Energy: 0.6636446296819173
Energy: 0.6189942722019068
Energy: 0.6640502000385875
Energy: 0.57053578810435
Energy: 0.5618662044793965
Energy: 0.5695459295350557
Energy: 0.5667163835116945
Energy: 0.5716163726973695
Energy: 0.5700353154969384
Energy: 0.5968877109505273
Energy: 0.5697379753479909
Energy: 0.5657028656274518
Energy: 0.5697345507618948
Energy: 0.5699757396208606
Energy: 0.5956759448183646
Energy: 0.6151434358429785
Energy: 0.5968464668869806
Energy: 0.5698043259131141
Energy: 0.5606447769450288
Energy: 0.5609609898497568
Energy: 0.5692152835470972
Energy: 0.5963611416986425
Energy: 0.5697676245231136
Energy: 0.560700718564086
Energy: 0.5608754909352986
Energy: 0.5698216962871421
Energy: 0.5608870589431896
Energy: 0.5708182967944043
Energy: 0.5610043822044598
Energy: 0.5979760385172649
Energy: 0.5702375998679808
Energy: 0.5710046349580203
Energy: 0.5714087679485421
Energy: 0.5610409031082556
Energy: 0.5699639351100444
Energy: 0.5707111526662086
Energy: 0.5701557512895438
Energy: 0.6918877529033994
Energy: 0.5700879260214269
Energy: 0.6640411048191801
Energy: 0.5703735354076004
Energy: 0.5701747731188732
Energy: 0.6907046100422899
Energy: 0.5701451714660302
Energy: 0.6637255977967187
Energy: 0.5609797742979661
Energy: 0.5704893690187536
Energy: 0.5708467798644827
Energy: 0.6189032467685484
Energy: 0.5955258558904767
Energy: 0.5609704822998542
Energy: 0.5705248907278383
Energy: 0.5656552382740596
Energy: 0.569901366413348
Energy: 0.5960688113502144

minimum gb energy = 0.560572664036569 eV
minimum distance =  2.58165884403447 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.0151797172008676
Energy: 0.6109101020673476
Energy: 0.6310648369578298
Energy: 0.6758486995821845
Energy: 0.5988786352872741
Energy: 0.5965712878713013
Energy: 0.5971231094354116
Energy: 0.6398067793016017
Energy: 0.6646465642396221
Energy: 0.6385055314242668
Energy: 0.6024224714186631
Energy: 0.6317573184433737
Energy: 0.6097838265566633
Energy: 0.6050670271200268
Energy: 0.6400446200296855
Energy: 0.5960054530351179
Energy: 0.64942579316123
Energy: 0.6102142597967771
Energy: 0.6502516599360092
Energy: 0.6480140852315518
Energy: 0.6484313312717461
Energy: 0.6126543466115302
Energy: 0.6107287415695141
Energy: 0.6312706534874144
Energy: 0.6784687585436637
Energy: 0.6442967964456305
Energy: 0.6239120447499674
Energy: 0.6002903830746554
Energy: 0.6285446282590738
Energy: 0.6753866814997594
Energy: 0.6706077510200038
Energy: 0.6249819761847965
Energy: 0.6641327440414883
Energy: 0.6702979370854163
Energy: 0.6795785921792088
Energy: 0.6066449493392029
Energy: 0.6256422801326307
Energy: 0.6685975474201866
Energy: 0.6623892649080525
Energy: 0.6765412103805217
Energy: 0.6054263726024337
Energy: 0.6059630365778855
Energy: 0.6580473765114732
Energy: 0.6028884155489781
Energy: 0.5952090911450815
Energy: 0.602799548289656
Energy: 0.6047516268839072
Energy: 0.616296414673783
Energy: 0.6015626015969429
Energy: 0.5944048350894742
Energy: 0.7472074519762062
Energy: 0.6003062568790786
Energy: 0.6018112528417126
Energy: 0.6615064558983552
Energy: 0.7489135987028203
Energy: 0.6864429260872261
Energy: 0.6005335248010024
Energy: 0.6017391421577382
Energy: 0.667842148831461
Energy: 0.7487008860617169
Energy: 0.6020335253650619
Energy: 0.6010697936668741
Energy: 0.628668848329211
Energy: 0.6495531490132085
Energy: 0.6555962816159145
Energy: 0.6033497310522592
Energy: 0.6011862157699017
Energy: 0.6295088851027003
Energy: 0.636913839374574
Energy: 0.6327143132625874
Energy: 0.6170516430958932
Energy: 0.6017526582395111
Energy: 0.6247293585390968
Energy: 0.6517016123744351
Energy: 0.6509808821141105
Energy: 0.6082518278831894
Energy: 0.6004464038482676
Energy: 0.6205927853256835
Energy: 0.6640712629015086
Energy: 0.6224968366957109
Energy: 0.5982568359640544
Energy: 0.7519926618698592
Energy: 0.65010335864987
Energy: 0.6085759044318733
Energy: 0.6012560927278487
Energy: 0.5981512088750087
Energy: 0.7201218800145236
Energy: 0.6211750274134922
Energy: 0.5972820676026184
Energy: 0.6012999539090395
Energy: 0.6351960739767539
Energy: 0.6126040911216334
Energy: 0.6069980138793571
Energy: 0.605994126567301
Energy: 0.6007121344732037
Energy: 0.6090763379773433
Energy: 0.5984825138189669
Energy: 0.60619862331422
Energy: 0.6059662947434574
Energy: 0.6121363830718108
Energy: 0.6317222244561375
Energy: 0.671898358761606
Energy: 0.6071948612516105
Energy: 0.6076465700188299
Energy: 0.6069463996524294
Energy: 0.6412799971777914
Energy: 0.625732419184408
Energy: 0.6057106563085044
Energy: 0.6075833592562638
Energy: 0.6070048990314649
Energy: 0.672720438779052
Energy: 0.6548104942900197
Energy: 0.6052105667084726
Energy: 0.5981608519183513
Energy: 0.7387873902748365
Energy: 0.6731274871051395
Energy: 0.6567866462399765
Energy: 0.5985754888227804
Energy: 0.5981189911023826
Energy: 0.6426408494182353
Energy: 0.662685191427856
Energy: 0.6015486269601352
Energy: 0.595797592870624
Energy: 0.5958703291365659
Energy: 0.6330801635362205
Energy: 0.6631749888466969
Energy: 0.6010862805170754
Energy: 0.6014761806659819
Energy: 0.595806418172377
Energy: 0.6688028993759056
Energy: 0.6070417041662001
Energy: 0.6647723477045611
Energy: 0.5982623551307604
Energy: 0.6897486827518026
Energy: 0.6434330443111299
Energy: 0.6074368632752989
Energy: 0.6656537546300753
Energy: 0.5920892447320909
Energy: 0.6711547020860119
Energy: 0.6622206599010528
Energy: 0.5996944430141178
Energy: 0.6327112662083728
Energy: 0.5981526786176445
Energy: 0.5996758291135159
Energy: 0.6037128956644522
Energy: 0.5998736224602736
Energy: 0.6739102270676818
Energy: 0.5984552929339659
Energy: 0.6429402974569696
Energy: 0.60908967670736
Energy: 0.6895294708247592
Energy: 0.6969789365896257
Energy: 0.674979837426873
Energy: 0.6991974616523602
Energy: 0.6271747411889188
Energy: 0.669574359776952
Energy: 0.676087299458473
Energy: 0.6750937723011275
Energy: 0.648327627835266
Energy: 0.6664618128045131
Energy: 0.5965616864090337
Energy: 0.6026197536468773
Energy: 0.6528007948551579
Energy: 0.6330813244586194
Energy: 0.6816351084342867
Energy: 0.5964874174740534
Energy: 0.6017651040142639
Energy: 0.6250899399713478
Energy: 0.6415997495793171
Energy: 0.6812814321851832
Energy: 0.6398679014081209
Energy: 0.7438383675509912
Energy: 0.7204101664037358
Energy: 0.639167191313528
Energy: 0.6033554167254315
Energy: 0.64396652094909
Energy: 0.721635242957505
Energy: 0.7213498908835086
Energy: 0.6017460378225539
Energy: 0.602703777089727
Energy: 0.6322443307305121
Energy: 0.6230823999357146
Energy: 0.6039865736166401
Energy: 0.604057603547066
Energy: 0.6068811947025555
Energy: 0.6759521340678076
Energy: 0.6261260035140787
Energy: 0.6016891394352107
Energy: 0.606494451597966
Energy: 0.6013844291301149
Energy: 0.5980735900417931
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Energy: 0.6933036161556918
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Energy: 0.5980150715953965
Energy: 0.7331955690797316
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Energy: 0.5986789656073997
Energy: 0.6188763210725665
Energy: 0.6314910602441952
Energy: 0.6750039662064862
Energy: 0.604762156550843
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Energy: 0.6075696005004827
Energy: 0.6399808784136729
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Energy: 0.6732474334405121
Energy: 0.6743442810670608
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Energy: 0.6576399214748251
Energy: 0.5919592489855092
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Energy: 0.6283272559414088
Energy: 0.6517032414987975
Energy: 0.6438160234428065
Energy: 0.6004849152019
Energy: 0.6323018310205515
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Energy: 0.6685778917347871
Energy: 0.6220461042416146
Energy: 0.5998889854836709
Energy: 0.6338672626121894
Energy: 0.5982526684640821
Energy: 0.6042746259100318
Energy: 0.6114030317058706
Energy: 0.6501395952673363
Energy: 0.6762590844605162
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Energy: 0.6700790241599277
Energy: 0.6829066006525643
Energy: 0.6749106716084714
Energy: 0.6478867539489405
Energy: 0.5971521904606516
Energy: 0.5964190525932508
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Energy: 0.6982662663599092
Energy: 0.7428268806664223
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Energy: 0.635099526886716
Energy: 0.603321779290282
Energy: 0.6667934239936418
Energy: 0.7435719039454235
Energy: 0.7223693068808966
Energy: 0.6367136890926974
Energy: 0.6026782526486694
Energy: 0.674807203374292
Energy: 0.6340512297805994
Energy: 0.6020436601121378
Energy: 0.6017511554011141
Energy: 0.5998100743249724
Energy: 0.6403725072167621
Energy: 0.6084931430877818
Energy: 0.6018213843344129
Energy: 0.6005438625554279
Energy: 0.6086556349926644
Energy: 0.6002174982808239
Energy: 0.6142393627003382
Energy: 0.66253894821098
Energy: 0.6020872068950347
Energy: 0.6008547918540467
Energy: 0.5997619726032498
Energy: 0.608846593945532
Energy: 0.618629171911737
Energy: 0.601916910467915
Energy: 0.6001710187697818
Energy: 0.6147159522845702
Energy: 0.6584792305337124
Energy: 0.605164987079197
Energy: 0.6301732200624163
Energy: 0.6378848154221383
Energy: 0.6448939411653019
Energy: 0.6583378869793322
Energy: 0.6032063797370305
Energy: 0.6113729820300184
Energy: 0.7254906918523473
Energy: 0.6015633640144503
Energy: 0.6019476993311443
Energy: 0.6035314903577721
Energy: 0.7521157615959002
Energy: 0.5978049734208527
Energy: 0.5962925350129703
Energy: 0.596414895279393
Energy: 0.6977760169560284
Energy: 0.7507278115876664
Energy: 0.5977387632537253
Energy: 0.6022849269391036
Energy: 0.6063728308523756
Energy: 0.6030969206502398
Energy: 0.6015768274780915
Energy: 0.6354756023557452
Energy: 0.6107173419079721
Energy: 0.613485832406269
Energy: 0.678305550760745
Energy: 0.6050528283239639
Energy: 0.611027439882432
Energy: 0.6045659145673644
Energy: 0.5963886536532641
Energy: 0.6775857083718813
Energy: 0.6725307952837474
Energy: 0.6624521125836346
Energy: 0.5970118584539017
Energy: 0.5973578689157069
Energy: 0.6758320750407762
Energy: 0.6505532633088618
Energy: 0.652852950428377
Energy: 0.6142997518103657
Energy: 0.6687605385133003
Energy: 0.6005669675162403
Energy: 0.6186498440652732
Energy: 0.5923198538504914
Energy: 0.6002510080617595
Energy: 0.6633100344696277
Energy: 0.6115030470018396
Energy: 0.6095869358340678
Energy: 0.6045834504616889

minimum gb energy = 0.5919592489855092 eV
minimum distance =  2.56012633227362 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.8075810959140753
Energy: 0.5751667277264014
Energy: 0.6478166400671138
Energy: 0.6415802050182569
Energy: 0.5823947591006725
Energy: 0.8082672978335231
Energy: 0.6358556951336628
Energy: 0.6377778414557267
Energy: 0.5712010730361707
Energy: 0.6884850634477655
Energy: 0.5696959164597393
Energy: 0.6784509904332462
Energy: 0.6755547688391751
Energy: 0.6761005047798542
Energy: 0.7342342685244434
Energy: 0.5680872648102269
Energy: 0.687842740836862
Energy: 0.6755364354112222
Energy: 0.6393071021058183
Energy: 0.6294137112931362
Energy: 0.6301535389203086
Energy: 0.6256454268557382
Energy: 0.7504935205801699
Energy: 0.6142787932809509
Energy: 0.6205085085683922
Energy: 0.6308279947870143
Energy: 0.6257574415729401
Energy: 0.7506664071320107
Energy: 0.6135947045247604
Energy: 0.6231485449409924
Energy: 0.6124852056835254
Energy: 0.5801281522751653
Energy: 0.7359066768675526
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Energy: 0.6179477817081442
Energy: 0.613860283886015
Energy: 0.5699015617689326
Energy: 0.6732243255664722
Energy: 0.5681518073772648
Energy: 0.6177736089581082
Energy: 0.63316010663781
Energy: 0.7077267978960818
Energy: 0.6102158497916814
Energy: 0.6105766780547098
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Energy: 0.5678607042289102
Energy: 0.7440393289534067
Energy: 0.610150945827864
Energy: 0.6075656913516915
Energy: 0.6321108814069247
Energy: 0.6439669462622205
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Energy: 0.6439079918866638
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Energy: 0.6236674158423515
Energy: 0.6344307527519988
Energy: 0.8090292741886296
Energy: 0.6207110810093011
Energy: 0.6334406744951501
Energy: 0.6191749166058919
Energy: 0.6288722806922126
Energy: 0.6235355956421414
Energy: 0.6215934324567842
Energy: 0.6321598389817946
Energy: 0.6224381948213698
Energy: 0.6091458860260762
Energy: 0.6233152099742595
Energy: 0.6270133025130166
Energy: 0.5682045644370342
Energy: 0.6082610496480287
Energy: 0.743330751759109
Energy: 0.7440160971196327
Energy: 0.6271017564241302
Energy: 0.633309908221667
Energy: 0.6087210512653846
Energy: 0.7435305557359062
Energy: 0.6891887017881662
Energy: 0.579024092283957
Energy: 0.7435668756823207
Energy: 0.5761906165667783
Energy: 0.7481870616062063
Energy: 0.6139489086945816
Energy: 0.5780416031134096
Energy: 0.7678851620970213
Energy: 0.5753640892102491
Energy: 0.7550295066802393
Energy: 0.6118102174086694
Energy: 0.6177563562449475
Energy: 0.6378261654390747
Energy: 0.5705682107508757
Energy: 0.5646265129265872
Energy: 0.7543977007291107
Energy: 0.566760934952623
Energy: 0.6092726064031126
Energy: 0.5722323803023054
Energy: 0.5645041780936166
Energy: 0.6803182894771181
Energy: 0.569206069088245
Energy: 0.5679310371863657
Energy: 0.5672488147814722
Energy: 0.8129113617270796
Energy: 0.5718731436360166
Energy: 0.5685687653952075
Energy: 0.567799775648277
Energy: 0.5681932447626421
Energy: 0.8132765586948433
Energy: 0.6131833947516478
Energy: 0.5732979117426747
Energy: 0.5751941381465906
Energy: 0.5721298369971207
Energy: 0.655338357223251
Energy: 0.5710769510978868
Energy: 0.5727138952402899
Energy: 0.5741134118937266
Energy: 0.5736345381203036
Energy: 0.6872872347699535
Energy: 0.5714225386376449
Energy: 0.569405719995536
Energy: 0.570306549662114
Energy: 0.6383706717582376
Energy: 0.7569755037071024
Energy: 0.6267217707337692
Energy: 0.5699363043702473
Energy: 0.5706641154621888
Energy: 0.7438227768703033
Energy: 0.6393008874056689
Energy: 0.627296128732789
Energy: 0.6720272535802743
Energy: 0.5711296981337073
Energy: 0.7394885891260666
Energy: 0.5725264450909835
Energy: 0.581269873223083
Energy: 0.6721827214575626
Energy: 0.5762493172564714
Energy: 0.7395285873534119
Energy: 0.5720955843760722
Energy: 0.6420520641155079

minimum gb energy = 0.5645041780936166 eV
minimum distance =  2.6083244076009 Angstroms
sigma value = 33