Model name: model_name=MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049985826015473
cohesive_energy=3.3534000657025747
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.012653060555128779
Energy: 0.7039513674951839
Energy: 0.5688774316148665
Energy: 0.7056438369015167
Energy: 0.012653060555128779
Energy: 0.70395136749498
Energy: 0.35614688991573623
Energy: 0.3559900406612335
Energy: 0.012884981391418441
Energy: 0.12146571774049725
Energy: 0.012810766293478923
Energy: 0.3559900406610295
Energy: 0.01288498139121443
Energy: 0.12146571774070125
Energy: 0.012653060555128779
Energy: 0.70395136749498
Energy: 0.6817169859799604
Energy: 0.7056438369015167
Energy: 0.01265306055492477
Energy: 0.7039513674951839
Energy: 0.35614688991573623
Energy: 0.3559900406612335
Energy: 0.012884981391418441
Energy: 0.12146571774029323
Energy: 0.012810766293478923
Energy: 0.3559900406608255
Energy: 0.012884981391418441
Energy: 0.12146571774070125
Energy: 0.012653060555332789
Energy: 0.70395136749498
Energy: 0.6817169859797565
Energy: 0.705643836901698
Energy: 0.012653060555128779
Energy: 0.70395136749498
Energy: 0.35614688991573623
Energy: 0.3559900406612335
Energy: 0.01288498139162245
Energy: 0.12146571774070125
Energy: 0.012810766293478923
Energy: 0.3559900406608255
Energy: 0.012884981391418441
Energy: 0.1214657177408826

minimum gb energy = 0.01265306055492477 eV
minimum distance =  2.83792518510837 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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Energy: 0.7439050849275263
Energy: 0.7439998001377549
Energy: 0.7216933763398139
Energy: 0.6935759525475148
Energy: 0.7439050849299632
Energy: 0.7807210910971213
Energy: 0.6818659261070439
Energy: 0.6764445766442352
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Energy: 0.7250677053079245
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Energy: 0.6673193018862797
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Energy: 0.7076595435689971
Energy: 0.6926376848080419
Energy: 0.7369321428946248
Energy: 0.7398388848547116
Energy: 0.7076595435738711
Energy: 0.6926376888784391
Energy: 0.7369322753131146
Energy: 0.6955223977732777
Energy: 0.6774808961351865
Energy: 0.77663760592474
Energy: 0.7128185042027753
Energy: 0.6955223977732777
Energy: 0.677480894140176
Energy: 0.7766377347210618
Energy: 0.6464446506548905
Energy: 0.7205274347779813
Energy: 0.7656834039740653
Energy: 0.7038593841519717
Energy: 0.6464446492737363
Energy: 0.7205274350312955
Energy: 0.7656834197149079
Energy: 0.6497942598715292
Energy: 0.6837269154901479
Energy: 0.7711388166301076
Energy: 0.7446867265120788
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Energy: 0.7619181054403789
Energy: 0.6598131255960574
Energy: 0.653680843605421
Energy: 0.7018773533059418
Energy: 0.7619177720568354

minimum gb energy = 0.6401433025586651 eV
minimum distance =  2.49609910247106 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.7171944561044352
Energy: 0.7551884261759279
Energy: 0.7466224909781607
Energy: 0.7154192304996694
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Energy: 0.7196782525797454
Energy: 0.6856497387162614
Energy: 0.7250013138284692
Energy: 0.8210306067300881
Energy: 0.6691514070346047
Energy: 0.6856497387165631
Energy: 0.7250013138268095
Energy: 0.8210306067375821
Energy: 0.6693873671838906
Energy: 0.665715919977275
Energy: 0.790108047915313
Energy: 0.677943006961711
Energy: 0.669387367183086
Energy: 0.665715935314517
Energy: 0.7901080479156147
Energy: 0.66352635806564
Energy: 0.7429027186028817
Energy: 0.7629740678334852
Energy: 0.6925185049994741
Energy: 0.6635263570840774
Energy: 0.7429027186048432
Energy: 0.762974067835145
Energy: 0.6644297264372634
Energy: 0.7090872838836281
Energy: 0.7285017051773
Energy: 0.682171328677855
Energy: 0.6644297431963024
Energy: 0.7090872839206956
Energy: 0.72849774452418
Energy: 0.6828833069717652
Energy: 0.6745439251578541
Energy: 0.8034031326305909
Energy: 0.7018986454785002
Energy: 0.6828833069689991
Energy: 0.674543934629963
Energy: 0.8034031320186484
Energy: 0.6614287331746214
Energy: 0.7096872270163195
Energy: 0.7555342118149337
Energy: 0.748335248310467
Energy: 0.6614287331884525
Energy: 0.7096872268352061
Energy: 0.7555342114026633
Energy: 0.6975876238950602
Energy: 0.7551884261712505
Energy: 0.724623528723558
Energy: 0.7154195925588982
Energy: 0.6975876238961667
Energy: 0.7551884261670759
Energy: 0.7246229469631563
Energy: 0.6725038581820985
Energy: 0.6992996394850927
Energy: 0.7302965903263049
Energy: 0.7188256558678057
Energy: 0.6725038581021792
Energy: 0.699299639643573
Energy: 0.7302965903274115

minimum gb energy = 0.6567049759288834 eV
minimum distance =  2.53822684940569 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.7278691968391363
Energy: 0.6847220626176047
Energy: 0.8112215769337167
Energy: 0.6943342280506918
Energy: 0.7271882678360255
Energy: 0.6847221140034928
Energy: 0.7858728020201335
Energy: 0.7029512242027883
Energy: 0.7198677638229302
Energy: 0.7515698133538062
Energy: 0.7089083949392065
Energy: 0.7029525514663196
Energy: 0.7198677637095949
Energy: 0.7515698220429164
Energy: 0.6859847919432394
Energy: 0.7081022948774679
Energy: 0.7944043979034829
Energy: 0.7159870324468826
Energy: 0.6859848708417808
Energy: 0.7081022948493735
Energy: 0.7592657794956255
Energy: 0.6642874453629853
Energy: 0.7212349630231044
Energy: 0.75233526584338
Energy: 0.6902120246213511
Energy: 0.6642876298560277
Energy: 0.7212349533091418
Energy: 0.7523351343498522
Energy: 0.6866667209951479
Energy: 0.7300388752799503
Energy: 0.7690147610083178
Energy: 0.6971981294781213
Energy: 0.6866667247137674
Energy: 0.7300388667380335
Energy: 0.8213650400215148
Energy: 0.6892467264326622
Energy: 0.7058469398178003
Energy: 0.7634844920898128
Energy: 0.6911035405535714
Energy: 0.6892467265392896
Energy: 0.7058469398851686
Energy: 0.7634844919751852
Energy: 0.6750370459382564
Energy: 0.7409218840961308
Energy: 0.7702350973941356
Energy: 0.7281334136767244
Energy: 0.6750370459404633
Energy: 0.7409219362738124
Energy: 0.8039397232198466
Energy: 0.6785805422215051
Energy: 0.7313728404549992
Energy: 0.7740361472726535
Energy: 0.6945905433038979
Energy: 0.6787209138990657
Energy: 0.7313728404696923
Energy: 0.7758650616940489
Energy: 0.6564318635631451
Energy: 0.7008024470652753
Energy: 0.7777954017491707
Energy: 0.7661672693703194
Energy: 0.6564318635749636
Energy: 0.7008024470505821
Energy: 0.7438852498780972
Energy: 0.6961471452889997
Energy: 0.7073824982163405
Energy: 0.8119818473549812
Energy: 0.7227806162611216
Energy: 0.6961471452787783
Energy: 0.7073822418944763
Energy: 0.8119818472914461
Energy: 0.7174230913503157
Energy: 0.7013600537591292
Energy: 0.7465319166665771
Energy: 0.7036465782224322
Energy: 0.7174230916386194
Energy: 0.7013600059130591
Energy: 0.7465319160101589
Energy: 0.696684755449421
Energy: 0.7278497757426479
Energy: 0.7963908516206387
Energy: 0.7168499634020926
Energy: 0.6966847550988599
Energy: 0.7278497794088973
Energy: 0.7963908789241748
Energy: 0.6736776712195448
Energy: 0.6995050338811789
Energy: 0.7273317333517796
Energy: 0.7281713412957803
Energy: 0.6736776706375074
Energy: 0.6995050311277387
Energy: 0.7273317282954088
Energy: 0.6564359334474208
Energy: 0.7059914989065303
Energy: 0.7728247391526143
Energy: 0.7143605656931356
Energy: 0.6564359340965362
Energy: 0.7059914987232572
Energy: 0.7728242877460572
Energy: 0.6856787872077786
Energy: 0.7269276698657152
Energy: 0.7465310016945452
Energy: 0.7027032117912305
Energy: 0.685678644181363
Energy: 0.7269276545976273
Energy: 0.7465310016907266
Energy: 0.6883019019953819
Energy: 0.7014430323131876
Energy: 0.7952754849377962
Energy: 0.7125655816721445
Energy: 0.6883016215570025
Energy: 0.701443032310313
Energy: 0.795275480650555
Energy: 0.690877202541663
Energy: 0.6980645775062517
Energy: 0.768793115764151
Energy: 0.6980768349718134
Energy: 0.6908772028599773
Energy: 0.6980644716145178
Energy: 0.7687931159662554
Energy: 0.6697865015803245
Energy: 0.7493750344168949
Energy: 0.7894807989738232
Energy: 0.714224646980831
Energy: 0.6697865009497646
Energy: 0.7493750344175337
Energy: 0.789480798969032
Energy: 0.661551612852225
Energy: 0.7644575385774626
Energy: 0.8121937419471384
Energy: 0.6968862816452172
Energy: 0.6615516128512666
Energy: 0.764457597957698
Energy: 0.7066572001094222
Energy: 0.6833028533353849
Energy: 0.6632822991802988
Energy: 0.800750645322797
Energy: 0.7024075377774589
Energy: 0.6832647938824757
Energy: 0.6632825246454223
Energy: 0.8007506245516616
Energy: 0.684442217335146
Energy: 0.7399111551633872
Energy: 0.729844444800493
Energy: 0.716854217125548
Energy: 0.6844422172760827
Energy: 0.739911152915992
Energy: 0.7298444070285146
Energy: 0.6777710969474774
Energy: 0.7084848526077145
Energy: 0.7769233058183148
Energy: 0.704615615899813
Energy: 0.6777666633333557
Energy: 0.7084848526070756
Energy: 0.7769233161900025
Energy: 0.6867016170715877
Energy: 0.7046738763166667
Energy: 0.7640970566274848
Energy: 0.7283582641500912
Energy: 0.6867016275610823
Energy: 0.704674324337946
Energy: 0.7640905712338808
Energy: 0.6642781734711596
Energy: 0.6901805048213886
Energy: 0.7534252222195575
Energy: 0.7626816331468065
Energy: 0.6642781638864742
Energy: 0.6901805768405107
Energy: 0.7534253718648926
Energy: 0.6872433226302677
Energy: 0.7247975283570117
Energy: 0.8134635432396953
Energy: 0.7042890171834407
Energy: 0.6872433226555018
Energy: 0.7247975283582895
Energy: 0.8134635423581891
Energy: 0.7091731579306537
Energy: 0.7202617159988065
Energy: 0.7634353212606261
Energy: 0.7442545111847768
Energy: 0.709162001199867
Energy: 0.720261716780393
Energy: 0.763435311856673
Energy: 0.7346267394071103
Energy: 0.7103111866201518
Energy: 0.8190764645273286
Energy: 0.7130777637910357
Energy: 0.7346267394109434
Energy: 0.710311186617277
Energy: 0.7805957234067328
Energy: 0.7306879090975196
Energy: 0.7185242323142219
Energy: 0.774613384994392
Energy: 0.7027668774451346
Energy: 0.7306879091316827
Energy: 0.71852423230975
Energy: 0.7746133859103955
Energy: 0.6801816965150124
Energy: 0.7152144674449173
Energy: 0.7734270825488095
Energy: 0.7026939295264832
Energy: 0.6801816965150124
Energy: 0.7152144674452368
Energy: 0.7652038484278828
Energy: 0.662848744586273
Energy: 0.7451845230871178
Energy: 0.772276628055296
Energy: 0.6876902834985035
Energy: 0.6628487452088475
Energy: 0.7451845230871178
Energy: 0.7722738384268951
Energy: 0.694532457157974
Energy: 0.7053454253756751
Energy: 0.7601343752399944
Energy: 0.7030770522706763
Energy: 0.6945324571838469
Energy: 0.7053461683400422
Energy: 0.758620255500931
Energy: 0.6732858811942126
Energy: 0.7064174560804497
Energy: 0.7825246450858373
Energy: 0.680732276359837
Energy: 0.6732120012153547
Energy: 0.7064174560807691
Energy: 0.782521859903022
Energy: 0.6850372066809649
Energy: 0.7621008345175162
Energy: 0.7741395231422479
Energy: 0.7017738073091031
Energy: 0.6850372295842292
Energy: 0.762100834518155
Energy: 0.7331717038752925
Energy: 0.7059463501608776
Energy: 0.7078591819658888
Energy: 0.7704741732024402
Energy: 0.700184500909139
Energy: 0.7059464251904408
Energy: 0.7078597103224656
Energy: 0.7704742913748192
Energy: 0.6563721425631495
Energy: 0.6966123548394405
Energy: 0.8043346928700296
Energy: 0.7750254121839224
Energy: 0.656372142573371
Energy: 0.6966123548445512
Energy: 0.7519479091009621
Energy: 0.6885927825116597
Energy: 0.7138129784365801
Energy: 0.8063653086529277
Energy: 0.7240887228838497
Energy: 0.6885927825107014
Energy: 0.7138129785020316
Energy: 0.8063653086388732

minimum gb energy = 0.6563721425631495 eV
minimum distance =  2.51071043251951 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.8075400528191959
Energy: 0.7095653644197538
Energy: 0.8151971286915057
Energy: 0.7171405922592489
Energy: 0.8075400528214578
Energy: 0.7095653644182459
Energy: 0.6698226831017278
Energy: 0.6805560663120102
Energy: 0.7560050276089622
Energy: 0.7979779584433474
Energy: 0.6633673729647616
Energy: 0.6805560483718053
Energy: 0.7560050276108469
Energy: 0.7979779580529728
Energy: 0.8249806927926561
Energy: 0.6539486562052891
Energy: 0.7531551239753407
Energy: 0.7353643516677443
Energy: 0.8249806927922791
Energy: 0.6539486562052891
Energy: 0.7531551239768486
Energy: 0.7819730083221631
Energy: 0.6628477801368063
Energy: 0.6634165253325173
Energy: 0.7611641308624328
Energy: 0.7819730083225402
Energy: 0.6628477591316921
Energy: 0.6634165253340252
Energy: 0.6688070227419536
Energy: 0.7781548189332936
Energy: 0.7056416315103775
Energy: 0.7330261819440297
Energy: 0.6688070227411996
Energy: 0.7781548189336706
Energy: 0.7088903864914635
Energy: 0.7768487269690502
Energy: 0.6307200313273458
Energy: 0.714759342672221
Energy: 0.7798792564978273
Energy: 0.7768487269690502
Energy: 0.6307202839851245
Energy: 0.7147593723002263
Energy: 0.7244781243875525
Energy: 0.7542787693323025
Energy: 0.7075784779611981
Energy: 0.7991052131035856
Energy: 0.7244781243860446
Energy: 0.7542787711526461
Energy: 0.7222156456512879
Energy: 0.8166646062148516
Energy: 0.6931065389218177
Energy: 0.6713829402181181
Energy: 0.6996604359074937
Energy: 0.8166646074206574
Energy: 0.693106372294115
Energy: 0.6713799204909888
Energy: 0.7237407431708754
Energy: 0.7979754064060749
Energy: 0.7116597789824778
Energy: 0.7657532700259965
Energy: 0.7237407431720064
Energy: 0.797975406403436
Energy: 0.7021744094482923
Energy: 0.7083919257166719
Energy: 0.805579615834115
Energy: 0.7117472614596659
Energy: 0.7141249033196184
Energy: 0.6497358027426557
Energy: 0.8055796158989204
Energy: 0.7117472291356041
Energy: 0.6691346535007365
Energy: 0.7343154370779589
Energy: 0.8022107007091093
Energy: 0.7752438537002819
Energy: 0.6691346534999826
Energy: 0.7343154370775821
Energy: 0.7073733806303675
Energy: 0.7744171444402623
Energy: 0.7566425392703287
Energy: 0.6635239694057766
Energy: 0.662585413701091
Energy: 0.7744171444406392
Energy: 0.7566425453064177
Energy: 0.6635239694053995
Energy: 0.8040242733643324
Energy: 0.7320988382205657
Energy: 0.813700856911743
Energy: 0.653231949815408
Energy: 0.8040242733639553
Energy: 0.7320988382183038
Energy: 0.9172804522576891
Energy: 0.6828434967901992
Energy: 0.6628109562104975
Energy: 0.7005795292893395
Energy: 0.7317333340912209
Energy: 0.6828434965177833
Energy: 0.662810927510947
Energy: 0.7005795055730556
Energy: 0.8075400528056591
Energy: 0.709565364417115
Energy: 0.7072678354820485
Energy: 0.7171405922588718
Energy: 0.8075400528120334
Energy: 0.709565364417115
Energy: 0.6698228013631643
Energy: 0.6805559845522724
Energy: 0.7560050276085851
Energy: 0.7979779588521939
Energy: 0.6652112274272971
Energy: 0.6805560119315194
Energy: 0.7560050276127319
Energy: 0.7979779586551045
Energy: 0.8249806927922791
Energy: 0.6539486562060431
Energy: 0.7531551239768486
Energy: 0.7353643516677443
Energy: 0.8249806927922791
Energy: 0.6539486562067971
Energy: 0.7531551239764717
Energy: 0.7819730083225402
Energy: 0.6628477741387918
Energy: 0.6634165253332712
Energy: 0.7611641307904649
Energy: 0.7819730083229172
Energy: 0.6628477724318491
Energy: 0.6634165253336483
Energy: 0.6688070227427075
Energy: 0.7781548189340475
Energy: 0.7056416619229021
Energy: 0.7330261819444065
Energy: 0.6688070227415766
Energy: 0.7781548189329165
Energy: 0.705641646279743
Energy: 0.776848726969804
Energy: 0.6307202175490425
Energy: 0.7147593440807023
Energy: 0.7798792565648945
Energy: 0.7768487269705582
Energy: 0.6307203249388633
Energy: 0.7147593762985258
Energy: 0.7244781243875525
Energy: 0.7542787693179774
Energy: 0.7075784779623291
Energy: 0.7991052130674302
Energy: 0.7244781243883064
Energy: 0.7542787719044027
Energy: 0.7387427856994379
Energy: 0.8166646045233649
Energy: 0.6931061130173067
Energy: 0.6713868891264293
Energy: 0.699660483376217
Energy: 0.8166646041891594
Energy: 0.6931058835414671
Energy: 0.6713742239885494
Energy: 0.7237407431712525
Energy: 0.7979754064064518
Energy: 0.6832388878848779
Energy: 0.7657532700275044
Energy: 0.7237407431712525
Energy: 0.7979754064019282
Energy: 0.6832388878543428
Energy: 0.6476883289094619
Energy: 0.8055796157497068
Energy: 0.7117471751492577
Energy: 0.7141248998838684
Energy: 0.6527394125812384
Energy: 0.8055796158397696
Energy: 0.7117471434834626
Energy: 0.6691346535007365
Energy: 0.7343154370775821
Energy: 0.7153798148651048
Energy: 0.775243853569506
Energy: 0.6691346534996055
Energy: 0.7343154370783359
Energy: 0.8372250893870611
Energy: 0.7744171444406392
Energy: 0.7566425472541103
Energy: 0.6635239694050226
Energy: 0.6625874488597157
Energy: 0.7744171444406392
Energy: 0.756642551133354
Energy: 0.6635239694035148
Energy: 0.8040242733786231
Energy: 0.7320988382194347
Energy: 0.9172804504629456
Energy: 0.6532319498191776
Energy: 0.8040242733725914
Energy: 0.7320988382183038
Energy: 0.7155494438401782
Energy: 0.6828434968350249
Energy: 0.662810640973262
Energy: 0.7005795470606937
Energy: 0.7317333355415807
Energy: 0.682843496548284
Energy: 0.6628106097396858
Energy: 0.7005795277971697
Energy: 0.8075400527988735
Energy: 0.7095653644137221
Energy: 0.6698232004288048
Energy: 0.7171405922588718
Energy: 0.8075400528033972
Energy: 0.709565364416361
Energy: 0.6698230608927855
Energy: 0.6805560069923247
Energy: 0.7560050276078312
Energy: 0.7979779592580245
Energy: 0.6643131538980451
Energy: 0.6805560040807072
Energy: 0.7560050276108469
Energy: 0.7979779589128525

minimum gb energy = 0.6307200313273458 eV
minimum distance =  2.50709885497294 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.6866376218862337
Energy: 0.8144770850544978
Energy: 0.8393195131914345
Energy: 0.8250606942178944
Energy: 0.6866376218848608
Energy: 0.8144770850544978
Energy: 0.8984617912538424
Energy: 0.7648523292958732
Energy: 0.673838340988234
Energy: 0.6602913396916469
Energy: 0.7614560452387527
Energy: 0.7648523314924568
Energy: 0.6827288227901694
Energy: 0.660291339674257
Energy: 0.7275900672553118
Energy: 0.7492882703998541
Energy: 0.817155579635077
Energy: 0.7739925668509261
Energy: 0.7275900672502779
Energy: 0.7492882703993965
Energy: 0.8171555796337042
Energy: 0.7766536079720506
Energy: 0.7346663433635074
Energy: 0.7745254191166214
Energy: 0.7142806857452886
Energy: 0.776653607978915
Energy: 0.7346663433520665
Energy: 0.774525419117079
Energy: 0.7057007896692002
Energy: 0.7933256280097523
Energy: 0.7889376094733992
Energy: 0.7587437033514148
Energy: 0.705700789510028
Energy: 0.793325628003803
Energy: 0.7889376094738567
Energy: 0.7839719773763458
Energy: 0.7146508996418729
Energy: 0.8329420955531969
Energy: 0.7306178665051708
Energy: 0.7839719773822951
Energy: 0.7146508996505471
Energy: 0.8329420955531969
Energy: 0.7473140758854913
Energy: 0.7759219285659718
Energy: 0.7446244356380375
Energy: 0.7223574723433679
Energy: 0.7473140758850544
Energy: 0.7759219286181208
Energy: 0.6915905744327313
Energy: 0.7088227393960762
Energy: 0.7367991290315802
Energy: 0.8112829250674922
Energy: 0.7646997033079224
Energy: 0.7088227595978731
Energy: 0.7367603645748211
Energy: 0.8112829250747936
Energy: 0.7423789856069263
Energy: 0.7491506141572195
Energy: 0.7804248093796051
Energy: 0.7711466063790794
Energy: 0.7423789822301974
Energy: 0.7491506141563041
Energy: 0.7804243943381614
Energy: 0.7533412784607164
Energy: 0.6967001768689189
Energy: 0.747834315887839
Energy: 0.7960475962163887
Energy: 0.7533412784446992
Energy: 0.6966998315791679
Energy: 0.7478343158882967
Energy: 0.7844410193746664
Energy: 0.7572803744775745
Energy: 0.8304186092163303
Energy: 0.7166673571779696
Energy: 0.7854158253035745
Energy: 0.7572803744780321
Energy: 0.7776221447676099
Energy: 0.7308975846223419
Energy: 0.7607933255234718
Energy: 0.7553931410267108
Energy: 0.8240581758028832
Energy: 0.7308975846237149
Energy: 0.7607933250871006
Energy: 0.7553930990737893
Energy: 0.7673880683116724
Energy: 0.7069865187105149
Energy: 0.7392775490338743
Energy: 0.7335028281820123
Energy: 0.7673880698390343
Energy: 0.7069865569724613
Energy: 0.7169844051402666
Energy: 0.7519385888246995
Energy: 0.7521719150986096
Energy: 0.8807430242325573
Energy: 0.7779278543376428
Energy: 0.7519385888251571
Energy: 0.7521719202908828
Energy: 0.8807430242462863
Energy: 0.7792267820013612
Energy: 0.7655643540463184
Energy: 0.7353545744098577
Energy: 0.7115830650289707
Energy: 0.7792267820260524
Energy: 0.7655643540472337
Energy: 0.7353545744103153
Energy: 0.7245043309705768
Energy: 0.7834296392594221
Energy: 0.8714651927236736
Energy: 0.6350826842805548
Energy: 0.7245043302656805
Energy: 0.7834296392594221
Energy: 0.8714651927227584
Energy: 0.7596603191962964
Energy: 0.7285854829913653
Energy: 0.750363651490192
Energy: 0.7584227681364616
Energy: 0.7596603192127503
Energy: 0.72858548299045
Energy: 0.750363655028402
Energy: 0.7335881160412685
Energy: 0.7061912620279651
Energy: 0.7819960568514507
Energy: 0.7901964049945304
Energy: 0.7335881160408108
Energy: 0.7061912609630594
Energy: 0.7819960556081523
Energy: 0.7675371191975473
Energy: 0.7219962845392062
Energy: 0.7691265472290334
Energy: 0.7035527721914281
Energy: 0.7675371348369783
Energy: 0.7219962845378334
Energy: 0.769126548137492
Energy: 0.6934554761253471
Energy: 0.7276303058211689
Energy: 0.7869458066071717
Energy: 0.7654291802149699
Energy: 0.6934554761248894
Energy: 0.7276291232143322
Energy: 0.7869458058711776
Energy: 0.7611652359802923
Energy: 0.7073119602087363
Energy: 0.7706902355479024
Energy: 0.7157308302350379
Energy: 0.7611652359789193
Energy: 0.7073119602096515
Energy: 0.770690235575797
Energy: 0.7228475555227065
Energy: 0.8040358464061311
Energy: 0.7907032360544908
Energy: 0.706030159575953
Energy: 0.722847555471015
Energy: 0.8040358464084193
Energy: 0.7907031005408091
Energy: 0.7487595975095812
Energy: 0.6883933342879199
Energy: 0.7549879257679792
Energy: 0.7278135227913264
Energy: 0.7487595963687507
Energy: 0.6883932521134378
Energy: 0.7549879236756937
Energy: 0.728066501399312
Energy: 0.7822424905716118
Energy: 0.8406110873363174
Energy: 0.7654475996795951
Energy: 0.7280665014102742
Energy: 0.782242490576188
Energy: 0.8406107195896508
Energy: 0.774302045475581
Energy: 0.6917689742565207
Energy: 0.7742580422251173
Energy: 0.7622665397424955
Energy: 0.7743020455071367
Energy: 0.6917689513215897
Energy: 0.7742580422237445

minimum gb energy = 0.6350826842805548 eV
minimum distance =  2.51565851842064 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.7603333940509907
Energy: 0.7597249828915437
Energy: 0.8264693668583741
Energy: 0.7682177790051399
Energy: 0.7603333876978552
Energy: 0.759725041239604
Energy: 0.8391168499426945
Energy: 0.767833413810097
Energy: 0.6917245029814562
Energy: 0.7497561142043454
Energy: 0.7729631795655864
Energy: 0.7678334138085645
Energy: 0.6947782525979319
Energy: 0.7497561142063888
Energy: 0.7656069458108553
Energy: 0.7476002050325018
Energy: 0.7650870721739901
Energy: 0.7488978851769026
Energy: 0.7656069458108553
Energy: 0.7476002425713638
Energy: 0.7480292277632152
Energy: 0.7295090377925919
Energy: 0.7438885938561811
Energy: 0.7893965079444027
Energy: 0.782394149218233
Energy: 0.7295090377790324
Energy: 0.7438880950331107
Energy: 0.7893965078433095
Energy: 0.7612555954087741
Energy: 0.7334056705681522
Energy: 0.7810631597749136
Energy: 0.7390391682134607
Energy: 0.7612555955162292
Energy: 0.7334056721412512
Energy: 0.6944349245020172
Energy: 0.7283295416953508
Energy: 0.7561737164561075
Energy: 0.797765940762981
Energy: 0.6773149555156203
Energy: 0.7283295416927967
Energy: 0.7561737092411017
Energy: 0.797765940760427
Energy: 0.7506953235213063
Energy: 0.7312842636237582
Energy: 0.8214186011822006
Energy: 0.7181510023123933
Energy: 0.7506953235243711
Energy: 0.7312842509381515
Energy: 0.8214186011783464
Energy: 0.7043826495085171
Energy: 0.7618969982489974
Energy: 0.7532966161616513
Energy: 0.6972634093507817
Energy: 0.7043826493864808
Energy: 0.761896998262789
Energy: 0.7532966161624406
Energy: 0.748652136324826
Energy: 0.7425367202828639
Energy: 0.815666415824725
Energy: 0.7577516847472828
Energy: 0.7486521363452582
Energy: 0.742536744132059
Energy: 0.8156664158265361
Energy: 0.7326930912846639
Energy: 0.7571611487994724
Energy: 0.7711074365528765
Energy: 0.747336090816709
Energy: 0.7326930912895397
Energy: 0.7571611487889777
Energy: 0.771107436454848
Energy: 0.7613730947591615
Energy: 0.721061777097153
Energy: 0.7923455470847671
Energy: 0.7482652704305036
Energy: 0.7613730947596722
Energy: 0.721054832444702
Energy: 0.7923455470857887
Energy: 0.7570562286337597
Energy: 0.745853071626929
Energy: 0.8178613684820654
Energy: 0.6898011101457727
Energy: 0.7570562286340382
Energy: 0.7458530619675272
Energy: 0.8178613684828083
Energy: 0.7675008418260413
Energy: 0.7392030455877605
Energy: 0.7802984285731414
Energy: 0.7242379487278465
Energy: 0.7675008418283167
Energy: 0.7392030455905931
Energy: 0.7802984285718412
Energy: 0.7659905186471334
Energy: 0.77606533355916
Energy: 0.8205433839455047
Energy: 0.754748265350485
Energy: 0.7659905186159742
Energy: 0.7760653340475375
Energy: 0.8205433839429507
Energy: 0.7780065030537502
Energy: 0.6957686566679587
Energy: 0.7916441224784522
Energy: 0.7799010077821382
Energy: 0.7780065030943825
Energy: 0.6928554461756717
Energy: 0.8068856718331362
Energy: 0.7562736894570521
Energy: 0.7698013257998197
Energy: 0.7701773663741466
Energy: 0.7592706312682184
Energy: 0.7562737241062802
Energy: 0.7698013254291598
Energy: 0.7701773663631873
Energy: 0.7760360478011731
Energy: 0.7381260986121937
Energy: 0.7975938930380075
Energy: 0.7139847410957837
Energy: 0.7760360462010012
Energy: 0.7381260938604836
Energy: 0.7824849976843078
Energy: 0.7239700627447435
Energy: 0.7468302060216605
Energy: 0.7958472142427211
Energy: 0.7611456404348163
Energy: 0.7239700623613134
Energy: 0.746830648706467
Energy: 0.7958472142422104
Energy: 0.7806605989346181
Energy: 0.7435646961296969
Energy: 0.7540277896496695
Energy: 0.7621112310069865
Energy: 0.7806605989363826
Energy: 0.7435647001634911
Energy: 0.7444087733461023
Energy: 0.7283928097817849
Energy: 0.7251502479948027
Energy: 0.811440268011888
Energy: 0.7279391801613977
Energy: 0.7283928097846174
Energy: 0.7262179722238032
Energy: 0.811440268011145
Energy: 0.7532762582875069
Energy: 0.6658822747902189
Energy: 0.7612869899417246
Energy: 0.7710638751841279
Energy: 0.7532762581882246
Energy: 0.6658816782191715
Energy: 0.7544098031165523
Energy: 0.7429832098878881
Energy: 0.7575442064297613
Energy: 0.7688332718469348
Energy: 0.7129674756013958
Energy: 0.7429832098822692
Energy: 0.7575442064859501
Energy: 0.7688332719391123
Energy: 0.7535392650483846
Energy: 0.6820179459588956
Energy: 0.817177671276449
Energy: 0.7684306777785684
Energy: 0.7535392655020274
Energy: 0.6820179952073983
Energy: 0.8071441348889243
Energy: 0.7325327664953333
Energy: 0.7330103213304617
Energy: 0.78953405729796
Energy: 0.7325053643630962
Energy: 0.7325327336464201
Energy: 0.7330103212980023
Energy: 0.7895340573000033
Energy: 0.7712285501319257
Energy: 0.7010962374636688
Energy: 0.7483125650423077
Energy: 0.7670208163563248
Energy: 0.7712285501306254
Energy: 0.7010559194124156
Energy: 0.7483125699377401
Energy: 0.7218283440702569
Energy: 0.7549439115382293
Energy: 0.7525820503369294
Energy: 0.7757676304669197
Energy: 0.7218283446666469
Energy: 0.7549439115522533
Energy: 0.7528690746007446
Energy: 0.7955560068935736
Energy: 0.6839254711045877
Energy: 0.7767373015494144
Energy: 0.7532614697764913
Energy: 0.7955560068833575
Energy: 0.6839264499881935
Energy: 0.776737301550947
Energy: 0.7136665648236478
Energy: 0.764042592860169
Energy: 0.819782163182038
Energy: 0.7357997794789318
Energy: 0.713670041665312
Energy: 0.7640425929048413
Energy: 0.8197821628894851
Energy: 0.7796222585871174
Energy: 0.6600241903157197
Energy: 0.7807764948368894
Energy: 0.7638374557564083
Energy: 0.7796222575381062
Energy: 0.6665691395621776
Energy: 0.7807764948440407
Energy: 0.7256759813859651
Energy: 0.7515840346157397
Energy: 0.8024363151538536
Energy: 0.7600660013769853
Energy: 0.7256759776758365
Energy: 0.7515840345317353
Energy: 0.8024363151494885
Energy: 0.7658956775598624
Energy: 0.733218763174138
Energy: 0.7945591282290138
Energy: 0.7664963362071524
Energy: 0.7658956774894177
Energy: 0.7332187599799243
Energy: 0.7945591396749387
Energy: 0.7498484135713983
Energy: 0.6581491009217231
Energy: 0.7767863348028352
Energy: 0.7493214651343769
Energy: 0.7498484135693552
Energy: 0.6582407841081366
Energy: 0.7767863347681004
Energy: 0.7470940366119668
Energy: 0.7153747229999954
Energy: 0.7906393236734466
Energy: 0.7512503085532093
Energy: 0.7470940366137315
Energy: 0.7153711153569328
Energy: 0.7906393236739574
Energy: 0.7208112456858282
Energy: 0.725266993330133
Energy: 0.79770317136026
Energy: 0.6838881717396672
Energy: 0.7209492899726162
Energy: 0.7252669933104902
Energy: 0.7977031706163397
Energy: 0.7180832172832418
Energy: 0.7208545064372435
Energy: 0.7552389420637162
Energy: 0.7479919615112949
Energy: 0.7180832174070427
Energy: 0.7208540912144752
Energy: 0.7552389420632054
Energy: 0.7240046563213409
Energy: 0.6616151423777165
Energy: 0.7709457395841082
Energy: 0.6639608310585577
Energy: 0.7240046218628293
Energy: 0.6616681440546754
Energy: 0.7669099609429801
Energy: 0.7750054155438929
Energy: 0.7356070138595118
Energy: 0.7680192497325586
Energy: 0.7456175462169831
Energy: 0.7750054155433822
Energy: 0.7356070140479529
Energy: 0.7680192497322802
Energy: 0.7624630336810115
Energy: 0.7193959736030935
Energy: 0.7947176523714766
Energy: 0.7232623379905718
Energy: 0.7624630346998853
Energy: 0.7193961060230062
Energy: 0.794717653003066
Energy: 0.7565477822138406
Energy: 0.7648397400015795
Energy: 0.8184769688972512
Energy: 0.714288492880213
Energy: 0.7565477812713093
Energy: 0.7648397400015795
Energy: 0.8184769688985051
Energy: 0.7634537369808814
Energy: 0.7371035659413477
Energy: 0.7943848597269912
Energy: 0.7224766485767332
Energy: 0.7634537318850733
Energy: 0.7371032130774942
Energy: 0.7943848596286842
Energy: 0.7576931451961548
Energy: 0.6875830805076079
Energy: 0.8249253166412202
Energy: 0.7343495539404193
Energy: 0.7576931451821309
Energy: 0.6875830533892033
Energy: 0.8249253166407094
Energy: 0.7583857443959315
Energy: 0.7083556786578922
Energy: 0.8189766649767468
Energy: 0.7271290986201693
Energy: 0.7583857446734389
Energy: 0.7083576522303927
Energy: 0.8189766649683416
Energy: 0.7590274333353856
Energy: 0.7528944133808103
Energy: 0.769603449590957
Energy: 0.7352632199246176
Energy: 0.7590274312236176
Energy: 0.7528944132786956
Energy: 0.7696034495922571
Energy: 0.77013683019978
Energy: 0.7052864789983893
Energy: 0.8117343157028184
Energy: 0.6702852589329538
Energy: 0.7701368302008015
Energy: 0.705285465096892
Energy: 0.8117343156680835
Energy: 0.7286681637250011
Energy: 0.7555994775745827
Energy: 0.7730841089226043
Energy: 0.7056123170431591
Energy: 0.7286681636836259
Energy: 0.7555994776088067
Energy: 0.7730840117459414

minimum gb energy = 0.6581491009217231 eV
minimum distance =  2.50649098671738 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.6784419990260092
Energy: 0.6954994548671788
Energy: 0.73475346167513
Energy: 0.6954994548706076
Energy: 0.678441999026585
Energy: 0.6954994548660272
Energy: 0.7441745898295405
Energy: 0.6784419990248575
Energy: 0.6954994548683305
Energy: 0.731832917421945
Energy: 0.6954994548683305
Energy: 0.6784419990248575
Energy: 0.6954994548671788
Energy: 0.6252188632697353
Energy: 0.6784419990254333
Energy: 0.6954994548689063
Energy: 0.7648430175083121
Energy: 0.6954994548677547
Energy: 0.6784419990260092
Energy: 0.6954994548666029
Energy: 0.639444610567601
Energy: 0.6784419990242816
Energy: 0.6954994548666029
Energy: 0.7747504188534536
Energy: 0.6954994548677547
Energy: 0.6784419990271608
Energy: 0.6954994548666029
Energy: 0.7441745898237823
Energy: 0.6784419990248575
Energy: 0.6954994548677547
Energy: 0.7318329174213691
Energy: 0.6954994548660272
Energy: 0.6784419990254333
Energy: 0.6954994548689063
Energy: 0.726342333656422
Energy: 0.6784419990260092
Energy: 0.6954994548694822
Energy: 0.7728122791661027
Energy: 0.6954994548677547
Energy: 0.6784419990271608
Energy: 0.6954994548671788
Energy: 0.72822711085792
Energy: 0.6784419990260092
Energy: 0.6954994548671788
Energy: 0.7014383141421087
Energy: 0.695499454870058
Energy: 0.6784419990271608
Energy: 0.6954994548677547
Energy: 0.744174589821479
Energy: 0.6784419990254333
Energy: 0.6954994548671788
Energy: 0.731832917421945
Energy: 0.6954994548677547
Energy: 0.6784419990260092
Energy: 0.6954994548671788
Energy: 0.4983341022194614
Energy: 0.6784419990260092
Energy: 0.6954994548666029
Energy: 0.7625804941345707
Energy: 0.6954994548683305
Energy: 0.678441999026585
Energy: 0.6954994548666029
Energy: 0.6394446104703104
Energy: 0.6784419990254333
Energy: 0.6954994548683305
Energy: 0.7014383141415328
Energy: 0.695499454870058
Energy: 0.6784419990254333
Energy: 0.6954994548654513
Energy: 0.744174589835299
Energy: 0.678441999026585
Energy: 0.6954994548671788
Energy: 0.731832917421945
Energy: 0.6954994548683305
Energy: 0.6784419990260092
Energy: 0.6954994548666029
Energy: 0.7197264275069754
Energy: 0.6784419990260092
Energy: 0.6954994548677547
Energy: 0.7728122791661027
Energy: 0.6954994548671788
Energy: 0.6784419990254333
Energy: 0.6954994548677547
Energy: 0.7282271108700126
Energy: 0.6784419990260092
Energy: 0.6954994548660272
Energy: 0.7347534616757059
Energy: 0.6954994548694822
Energy: 0.6784419990260092
Energy: 0.6954994548683305
Energy: 0.5946822181448391
Energy: 0.6784419990242816
Energy: 0.6954994548648754
Energy: 0.7318329174225209
Energy: 0.6954994548671788
Energy: 0.6784419990242816
Energy: 0.6954994548671788
Energy: 0.5023100012988797
Energy: 0.678441999026585
Energy: 0.6954994548683305
Energy: 0.738339920019695
Energy: 0.6954994548677547
Energy: 0.678441999026585
Energy: 0.6954994548654513
Energy: 0.6394446103828352
Energy: 0.6784419990254333
Energy: 0.6954994548666029
Energy: 0.7014383141421087
Energy: 0.6954994548677547
Energy: 0.6784419990254333
Energy: 0.6954994548660272
Energy: 0.7441745898174479
Energy: 0.6784419990237059
Energy: 0.6954994548677547
Energy: 0.731832917421945
Energy: 0.6954994548689063
Energy: 0.6784419990248575
Energy: 0.6954994548666029
Energy: 0.7086537661468588
Energy: 0.6784419990260092
Energy: 0.6954994548677547
Energy: 0.7383399200254533
Energy: 0.6954994548689063
Energy: 0.678441999026585
Energy: 0.6954994548683305
Energy: 0.6309854351208705
Energy: 0.678441999026585
Energy: 0.6954994548671788
Energy: 0.726459518279332
Energy: 0.6954994548694822
Energy: 0.6784419990271608
Energy: 0.6954994548683305
Energy: 0.744174589821479
Energy: 0.6784419990248575
Energy: 0.6954994548683305
Energy: 0.731832917421945
Energy: 0.6954994548694822
Energy: 0.6784419990260092
Energy: 0.6954994548677547
Energy: 0.6309854351329631

minimum gb energy = 0.4983341022194614 eV
minimum distance =  2.50194810422536 Angstroms
sigma value = 23