Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098557710648
cohesive_energy=4.242432836367695
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.01859270426412483
Energy: 0.32566711487200933
Energy: 0.32566711487200933
Energy: 0.01859270426412483
Energy: 0.32566711487200933
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Energy: 0.32566711487200933
Energy: 0.01859270426557347
Energy: 0.32291140392902584
Energy: 0.022658749750611384
Energy: 0.32273981406962376
Energy: 0.3229114039304744
Energy: 0.022658749750611384
Energy: 0.32273911635144453
Energy: 0.3229114039304744
Energy: 0.022658749749162748
Energy: 0.3227390660974104
Energy: 0.3229114039304744
Energy: 1.0394635943368213
Energy: 0.019082293908006604
Energy: 0.019082293908006604
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Energy: 0.2624902931950877
Energy: 1.458782088525718
Energy: 0.3229114039304744
Energy: 0.32273844083677067
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Energy: 0.3227393222342733
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Energy: 0.3229114039304744
Energy: 0.01859270426412483
Energy: 0.325667114873458
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Energy: 0.01859270426412483
Energy: 0.32566711487200933
Energy: 0.32566711487200933
Energy: 0.01859270426412483
Energy: 0.32566711487200933
Energy: 0.325667114873458
Energy: 0.01859270426412483
Energy: 0.3229114039304744
Energy: 0.022658749749162748
Energy: 0.32273963596652766
Energy: 0.32291140392902584
Energy: 0.022658749750611384
Energy: 0.32273929736211737
Energy: 0.3229114039304744
Energy: 0.022658749749162748
Energy: 0.3227392669325333
Energy: 0.3229114039304744
Energy: 1.0394635943368213
Energy: 0.019082293908006604
Energy: 0.019082293908006604
Energy: 0.9161844861197287
Energy: 0.019082293908006604
Energy: 0.019082293908006604
Energy: 0.492455287499097
Energy: 0.019082293908006604
Energy: 0.2624902931950877
Energy: 1.4587820885242693

minimum gb energy = 0.01859270426412483 eV
minimum distance =  2.29178666904884 Angstroms
sigma value = 3


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

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Energy: -0.7273488598126612

minimum gb energy = -1.0228911362233464 eV
minimum distance =  2.37854189075385 Angstroms
sigma value = 75


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

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minimum gb energy = 0.25633404385401304 eV
minimum distance =  2.2231801687885 Angstroms
sigma value = 105


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

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Energy: 0.7018265696247115
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Energy: 0.4780926290792598
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Energy: 0.47809262908121314
Energy: 0.6220862247666472
Energy: 0.09725316630323134
Energy: 0.8059845516742585
Energy: 0.6220862247686005
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Energy: 0.896551987515581
Energy: 0.7412187577927849
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Energy: 0.7434976395069686
Energy: 0.8392487440972034
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Energy: 0.7412187578240028
Energy: 0.8392487440952501
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Energy: 0.7052665233637143
Energy: 0.7059557124281508
Energy: 0.8779759259512222
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Energy: 0.7052665233598078
Energy: 0.7710668236739457
Energy: 0.8844085590869903
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Energy: 0.8274977983936295
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Energy: 0.7710668236680858
Energy: 0.8844085590850371
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Energy: 0.7710668236680858
Energy: 0.8723577912965421
Energy: 0.7468877632521517
Energy: 0.2714731171837367
Energy: 0.8723577912945887
Energy: 0.7466181192867205
Energy: 0.2714731378799799
Energy: 0.8723577912945887
Energy: 0.7468877632521517
Energy: 0.27147303561335084
Energy: 0.8723577912965421
Energy: 0.02498589997311927
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Energy: 0.012894454335466772
Energy: 0.024985900152720026
Energy: 0.7708874812434999
Energy: 0.012894454341326793
Energy: 0.024985895533176997
Energy: 0.7708383141043836
Energy: 0.012894454343280133
Energy: 0.024985893080882678

minimum gb energy = -0.2268860781345231 eV
minimum distance =  2.34564373893819 Angstroms
sigma value = 165


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

Energy: 0.9909447278415534
Energy: 0.8983902292644159
Energy: 0.8948539531702693
Energy: 0.9329216214161098
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Energy: 0.9199982170292331
Energy: 0.909230060952976
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Energy: 0.8961411689638499
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Energy: 0.877286023844226
Energy: 0.8961411689678735
Energy: 0.9093371208166086
Energy: 0.8976107669710722
Energy: 0.894148518235722
Energy: 0.9093371208199615
Energy: 0.8976107669717429
Energy: 0.8941485182363925
Energy: 0.9093371208199615
Energy: 0.8976107669724135
Energy: 0.8941485182363925
Energy: 0.9093371208192909
Energy: 0.8946385615433706
Energy: 0.9300298089144384
Energy: 0.9093840992991074
Energy: 0.8946385615440412
Energy: 0.9300297938804629
Energy: 0.9093840992997777
Energy: 0.8946385615433706
Energy: 0.9300298753221076
Energy: 0.9093840992991074
Energy: 0.8946385615447118
Energy: 0.9329216214154393
Energy: 0.8983901247500293
Energy: 0.8948539531716105
Energy: 0.9329216214154393
Energy: 0.8983899545720221
Energy: 0.8948539531702693
Energy: 0.9329216214147688
Energy: 0.8983901577953307
Energy: 0.8948539531702693
Energy: 0.9329216214161098

minimum gb energy = 0.8540001412910413 eV
minimum distance =  2.36456156052224 Angstroms
sigma value = 41


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

Energy: 0.7401522070197211
Energy: 0.7385952721558816
Energy: 0.7763013327254127
Energy: 0.7433567595291379
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Energy: 0.7364408670340143
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Energy: 0.7182095481730193
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Energy: 0.7182095481678156
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Energy: 0.743788909042539
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Energy: 0.8807680774291664
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Energy: 0.6630955419979955
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Energy: 0.7339691864440872
Energy: 0.6630955419979955
Energy: 0.8807680774291664
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Energy: 0.6630955419979955
Energy: 0.6670808013807318
Energy: 0.7106963327195966
Energy: 0.710340088037732
Energy: 0.66708080137813
Energy: 0.7107061834631451
Energy: 0.7044725082015956
Energy: 0.66708080137813
Energy: 0.7106963327248003
Energy: 0.710340088037732
Energy: 0.66708080137813
Energy: 0.688698291836247
Energy: 0.6867475363629473
Energy: 0.7439995571268928
Energy: 0.688698291836247
Energy: 0.6869906640163859
Energy: 0.7439995571294946
Energy: 0.6886982918336451
Energy: 0.6867475363629473
Energy: 0.743999557124291
Energy: 0.688698291836247
Energy: 0.5517550692284977
Energy: 0.6794362290343935
Energy: 0.768385567616431
Energy: 0.5517550692284977
Energy: 0.6794722831678636
Energy: 0.7683855676112273
Energy: 0.5517550692310996
Energy: 0.6794362290343935
Energy: 0.7683855676112273
Energy: 0.5517550692310996
Energy: 0.7033761488997967
Energy: 0.7577075973176282
Energy: 0.6833343984634659
Energy: 0.7033761488997967
Energy: 0.7577075973176282
Energy: 0.6833343984608641
Energy: 0.7033761490610153
Energy: 0.7577075973176282
Energy: 0.6833343984556604
Energy: 0.7033761489413787

minimum gb energy = 0.5165425592644111 eV
minimum distance =  2.36612328826252 Angstroms
sigma value = 185


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

Energy: 0.3895791747017373
Energy: 0.3445096095206739
Energy: 0.3445325510191171
Energy: 0.38957917470145653
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Energy: 0.39903500549844
Energy: 0.3429503484917581
Energy: 0.2887088664482344
Energy: 0.3990350054981593
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Energy: 0.38959957264450296
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Energy: 0.343496020270901
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Energy: 0.2925720282171928
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Energy: 0.47014043056412474
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Energy: 0.4701404305656971
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Energy: 0.34368303608054956
Energy: 0.47095103785851894
Energy: 0.29313366847444633
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Energy: 0.47095103785885584
Energy: 0.4298428391181076
Energy: 0.2918638445919403
Energy: 0.3440088507080983
Energy: 0.4298428391184445
Energy: 0.2918638445928388
Energy: 0.34400885070719983
Energy: 0.42984283911782684
Energy: 0.2918638445928388
Energy: 0.3440088507080983
Energy: 0.4298428391181076
Energy: 0.38959957264326756
Energy: 0.2912869201172916
Energy: 0.3434960202724172
Energy: 0.3895995726442222
Energy: 0.2912869201176285
Energy: 0.343496020270901
Energy: 0.38959957264388523
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Energy: 0.34349602027179943
Energy: 0.38959957264450296
Energy: 0.39902242393849047
Energy: 0.2887734869923996
Energy: 0.3429504611531809
Energy: 0.3990224239391082
Energy: 0.2887734869920626
Energy: 0.34295046115441624
Energy: 0.3990224239381535
Energy: 0.2887734869923996
Energy: 0.3429504611531809
Energy: 0.3990224239387712

minimum gb energy = 0.2887088664482344 eV
minimum distance =  2.40525864374803 Angstroms
sigma value = 33


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

Energy: 0.6181375847806756
Energy: 0.6414053228585589
Energy: 0.641342664669091
Energy: 0.6049743696755422
Energy: 0.6414053228585589
Energy: 0.6413426646673955
Energy: 0.6181375847874576
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Energy: 0.6049743696755422
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Energy: 0.638502051001849
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Energy: 0.6289795765105904
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Energy: 0.528896573263165
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Energy: 0.5288965732682516
Energy: 0.7311430102137575
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Energy: 0.731143010215453
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Energy: 0.639572429413917
Energy: 0.6193263021655023
Energy: 0.7105640858053256
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Energy: 0.6370147104017293
Energy: 0.7037571456958882
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Energy: 0.619326302163807
Energy: 0.7105640858104122
Energy: 0.639572429413917
Energy: 0.6281647673945127
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Energy: 0.680762713354335
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Energy: 0.6075962918458374
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Energy: 0.6212353108132791

minimum gb energy = 0.1500930027661933 eV
minimum distance =  2.36090713249889 Angstroms
sigma value = 219


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

Energy: 1.0298562230041073
Energy: 0.9423836076594619
Energy: 0.9421216098752928
Energy: 1.0298562230052293
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Energy: 0.9029050949649149
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Energy: 1.0358171608000035
Energy: 1.0146764213608097
Energy: 1.0428672378597486
Energy: 0.9216389716471919
Energy: 1.0146764213608097
Energy: 1.0428672378586266
Energy: 0.9216389716471919
Energy: 1.0146764213608097
Energy: 1.0428672378597486
Energy: 0.9216389716471919
Energy: 1.0146764213608097
Energy: 0.9312677205217118
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Energy: 0.9406558960348441
Energy: 0.9312677205217118
Energy: 0.9304455317115136
Energy: 0.9406558960348441
Energy: 0.9312677205217118

minimum gb energy = 0.9029050949637928 eV
minimum distance =  2.29738367083351 Angstroms
sigma value = 15


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

Energy: 1.114308665760169
Energy: 1.1075885315305465
Energy: 1.1082373031940251
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Energy: 1.1344063654748475
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Energy: 1.1344063654748475
Energy: 1.0192049658482434
Energy: 1.076785803822973
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Energy: 1.114552395773164
Energy: 1.1720267411221568
Energy: 1.0519903016214378
Energy: 1.114552395773164
Energy: 1.1720267411262955
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Energy: 1.114552395773164
Energy: 1.172026741124264
Energy: 1.0519903016214378
Energy: 1.1145523957751957
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minimum gb energy = 0.9968763179423628 eV
minimum distance =  2.32968495202084 Angstroms
sigma value = 293


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

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Energy: 1.1624792815366518
Energy: 1.0916757306319798
Energy: 1.1909512757711107
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Energy: 1.247951532493877
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Energy: 1.0912555453037533
Energy: 1.2479515324936004
Energy: 0.9720062750411156
Energy: 1.1543904272940213
Energy: 1.0811148512687927
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Energy: 1.1322981807742447
Energy: 0.9711170201891851
Energy: 1.08182312114211
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Energy: 0.9711170201899686
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Energy: 1.1322981807742447
Energy: 0.9711170201896921
Energy: 1.0818231211416034
Energy: 1.1322981807747516
Energy: 1.1957782643606878
Energy: 1.1548244094698827
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Energy: 1.154770989494896
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Energy: 1.1332138006013341
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Energy: 0.9714592442740567
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Energy: 1.133213800600597
Energy: 0.9716821943453897
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Energy: 1.091617401110193
Energy: 1.1524591674667652
Energy: 1.24793578116755
Energy: 1.091617401110193
Energy: 1.152459167467042
Energy: 1.2479357811677803
Energy: 1.0916174011104696
Energy: 1.1524591674672722
Energy: 1.2479357811677803
Energy: 1.09660242319993
Energy: 1.1393148666267185
Energy: 0.8740705513337976
Energy: 1.09660242319993
Energy: 1.1393148666269952
Energy: 0.8740705513335212
Energy: 1.09660242319993
Energy: 1.1393148666269952
Energy: 0.8740705513337976
Energy: 1.096602423200437
Energy: 1.091675730631473
Energy: 1.1148837995083802
Energy: 1.1624792815384029
Energy: 1.0916757306309661
Energy: 1.1148837995081036
Energy: 1.1624792815363754
Energy: 1.091675730631473
Energy: 1.1148837995091172
Energy: 1.1624792815358684
Energy: 1.0916757306311964
Energy: 1.190951275770834
Energy: 1.0387993761522243
Energy: 1.0388387998802433
Energy: 1.1909512757706038
Energy: 1.0387993761499201
Energy: 1.0388387998795061
Energy: 1.1909512757711107
Energy: 1.0387993761499201
Energy: 1.0388387998797364
Energy: 1.190951275770834
Energy: 1.0914972757448345
Energy: 1.1623366166814393
Energy: 1.114995998838053
Energy: 1.09149727574359
Energy: 1.1623366166814393
Energy: 1.114995998838053
Energy: 1.09149727574359
Energy: 1.1623366166814393
Energy: 1.1149959988378224
Energy: 1.0914972757430832
Energy: 1.0967055877347365
Energy: 0.8738236347438222
Energy: 1.1426616363569246
Energy: 1.096705587734506
Energy: 0.873823634742532
Energy: 1.1426616363566942
Energy: 1.0967055877347365
Energy: 0.8738236347438222
Energy: 1.1426616363574316
Energy: 1.096705587734506
Energy: 1.24795153249337
Energy: 1.1526796274866649
Energy: 1.0912555453035229
Energy: 1.247951532493877
Energy: 1.1526796274881856
Energy: 1.0912555453037533
Energy: 1.24795153249337
Energy: 1.1526796274879554
Energy: 1.0912555453037533
Energy: 1.24795153249337
Energy: 0.9720062750416226
Energy: 1.1543904272953116
Energy: 1.0811148512721105
Energy: 0.9720062750413921
Energy: 1.1543904272948047
Energy: 1.0811148512682855
Energy: 0.9720062750413921
Energy: 1.1543904272953116
Energy: 1.081114851268055
Energy: 0.9720062750411156

minimum gb energy = 0.8738236347423016 eV
minimum distance =  2.21490696289944 Angstroms
sigma value = 293


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

Energy: 1.1933246397568178
Energy: 1.215860438473339
Energy: 1.2160263477713684
Energy: 1.1933246397568178
Energy: 1.2158604384728808
Energy: 1.2160263477709106
Energy: 1.1933246397572757
Energy: 1.2158604384728808
Energy: 1.2160263477709106
Energy: 1.1933246397563597
Energy: 1.2133723254000293
Energy: 1.191116496119757
Energy: 1.2150417852995634
Energy: 1.2133723253995714
Energy: 1.1911164961174663
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Energy: 1.2133723254009456
Energy: 1.2139879860794407
Energy: 1.2137207536869237
Energy: 1.0876632766117549
Energy: 1.2139879860789826
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Energy: 1.0871173191076153
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Energy: 1.2137207536869237
Energy: 1.0880928078966112
Energy: 1.2139879860798988
Energy: 1.0861587494158116
Energy: 1.2136103486633891
Energy: 1.2139035780068979
Energy: 1.0862501363656802
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Energy: 1.2139035780064396
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Energy: 1.2160263477709106
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Energy: 1.1911164962072123
Energy: 1.2150417852999797
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Energy: 1.1911164962140834
Energy: 1.215041785298647
Energy: 1.2133723253991133
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Energy: 1.2150417852999797
Energy: 1.2133723253986552
Energy: 1.1911164962044636
Energy: 1.2137207536878398
Energy: 1.0849992391587795
Energy: 1.2139879860798988
Energy: 1.2137207536869237
Energy: 1.0852715754756617
Energy: 1.2139879860798988
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Energy: 1.213610348664305
Energy: 1.213903578007356
Energy: 1.0844763170790181
Energy: 1.2136103486633891
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Energy: 1.0866853029072212
Energy: 1.2136103486647631
Energy: 1.2139035780059815
Energy: 1.0865485647055222
Energy: 1.2136103486633891
Energy: 1.1910987590673523
Energy: 1.2145044107415537
Energy: 1.2149718785443984
Energy: 1.1910987594121762
Energy: 1.2145044107410956
Energy: 1.2149718785443984
Energy: 1.1910987591278215
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Energy: 1.2160263477709106
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Energy: 1.2160263477709106
Energy: 1.215041785298647
Energy: 1.2133723253995714
Energy: 1.1911164962983323
Energy: 1.2150417852999797
Energy: 1.2133723253986552
Energy: 1.191116496297874
Energy: 1.215041785298647
Energy: 1.2133723253995714
Energy: 1.1911164963139076
Energy: 1.215041785298647
Energy: 1.128833870391553
Energy: 1.2139879860794407
Energy: 1.2137207536860075
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Energy: 1.1292694549710633
Energy: 1.2139879860794407
Energy: 1.2137207536873817
Energy: 1.1288469790206943
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Energy: 1.0860891617914024
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Energy: 1.213610348664305
Energy: 1.2139035780059815
Energy: 1.2145044107410956
Energy: 1.2149718785453147
Energy: 1.1910987575613317
Energy: 1.2145044107410956
Energy: 1.2149718785448567
Energy: 1.1910987572422032
Energy: 1.2145044107415537
Energy: 1.2149718785443984
Energy: 1.1910987570430134
Energy: 1.2145044107410956
Energy: 1.1933246397572757
Energy: 1.2158604384710483
Energy: 1.2160263477718267
Energy: 1.1933246397559014
Energy: 1.2158604384715066
Energy: 1.2160263477709106
Energy: 1.193324639758192
Energy: 1.2158604384701321
Energy: 1.2160263477713684
Energy: 1.1933246397568178
Energy: 1.2133723253995714
Energy: 1.1911164963954073
Energy: 1.215041785298647
Energy: 1.2133723254000293
Energy: 1.1911164964100667
Energy: 1.215041785298189
Energy: 1.2133723253991133
Energy: 1.191116496443966
Energy: 1.215041785298647
Energy: 1.2133723254004876
Energy: 1.2139879860794407
Energy: 1.2137207536864656
Energy: 1.128856682429342
Energy: 1.2139879860794407
Energy: 1.2137207536864656
Energy: 1.1288063506170098
Energy: 1.2139879860794407
Energy: 1.2137207536864656
Energy: 1.1292907828747913
Energy: 1.2139879860789826
Energy: 1.1295212860484787
Energy: 1.2136103486629308
Energy: 1.213903578007356
Energy: 1.084673008278819
Energy: 1.213610348664305
Energy: 1.2139035780055234
Energy: 1.0874987703347987
Energy: 1.2136103486633891
Energy: 1.2139035780068979
Energy: 1.1295398028465675
Energy: 1.2149718785453147
Energy: 1.1910987553730765
Energy: 1.2145044107410956
Energy: 1.2149718785453147
Energy: 1.1910987552540124
Energy: 1.2145044107410956
Energy: 1.2149718785453147
Energy: 1.1910987556313193
Energy: 1.2145044107415537
Energy: 1.2149718785443984
Energy: 1.2158604384719647
Energy: 1.2160263477709106
Energy: 1.193324639757734
Energy: 1.2158604384715066
Energy: 1.2160263477718267
Energy: 1.1933246397554433
Energy: 1.2158604384719647
Energy: 1.2160263477713684
Energy: 1.1933246397554433
Energy: 1.2158604384710483
Energy: 1.1911164964741587
Energy: 1.215041785298647
Energy: 1.2133723253986552
Energy: 1.1911164964718683
Energy: 1.215041785298189
Energy: 1.2133723253986552
Energy: 1.1911164964911085
Energy: 1.2150417852995634
Energy: 1.2133723253995714
Energy: 1.1911164965140135

minimum gb energy = 1.0844763170790181 eV
minimum distance =  2.36497514915062 Angstroms
sigma value = 15


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

Energy: 1.116086434760478
Energy: 1.1569193270978193
Energy: 1.118864748878521
Energy: 1.1068793488903743
Energy: 1.1569193271082021
Energy: 1.118864748878521
Energy: 1.1160864347584014
Energy: 1.1569193270874365
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Energy: 1.1068793488882978
Energy: 1.118524437034067
Energy: 1.068105390977778
Energy: 1.0625267007907049
Energy: 1.1185244370319904
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Energy: 1.0695361772905447
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Energy: 1.0694226286085686
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Energy: 1.0773302300595498
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Energy: 1.1096878999112645
Energy: 1.0779969581010842
Energy: 1.0686425718983983
Energy: 1.088889461506057
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Energy: 1.0535680526957396
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Energy: 1.095563705350454
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Energy: 1.069358280559729
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Energy: 1.1311295503481433
Energy: 1.0944852924351036
Energy: 1.0693582805618058
Energy: 1.116032535641459
Energy: 1.1316093352455954
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Energy: 1.0684481109476454
Energy: 1.2137272346153973
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Energy: 1.1719152761030331
Energy: 1.0954683667201257
Energy: 1.135277081591494
Energy: 1.1719152761051097
Energy: 1.1188653027575757
Energy: 1.07238514245724
Energy: 1.1223824228837305
Energy: 1.1188653027554991
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Energy: 1.122382422881654
Energy: 1.1188653027554991
Energy: 1.0723851424593165
Energy: 1.1223824228899222
Energy: 1.1188653027575757
Energy: 1.0897670961179204
Energy: 1.1955294311782052
Energy: 1.078075152070678
Energy: 1.0897670961179204
Energy: 1.1955294311782052
Energy: 1.0780751520665248
Energy: 1.0897670961179204
Energy: 1.1955294311782052
Energy: 1.0780751520686014
Energy: 1.089767096115844
Energy: 1.0718187636486245
Energy: 1.0672848913188904
Energy: 1.065213243155411
Energy: 1.071464102274624
Energy: 1.0728412124523559
Energy: 1.0652132431533345
Energy: 1.0718187636527776
Energy: 1.0672848913209667
Energy: 1.065213243155411
Energy: 1.0714641022808535
Energy: 1.0682368537780795
Energy: 1.0705173436114497
Energy: 1.0595206015053
Energy: 1.068236853776003
Energy: 1.0705173436156026
Energy: 1.0595206015032232
Energy: 1.0682368537739266
Energy: 1.0705173436176791
Energy: 1.0595206015011467
Energy: 1.0682368537780795
Energy: 1.089470869024148
Energy: 1.122311796001421
Energy: 1.0712111926167587
Energy: 1.0894708690220714
Energy: 1.122311796001421
Energy: 1.0712111926167587
Energy: 1.0894708690262247
Energy: 1.122311796001421
Energy: 1.0712111926167587
Energy: 1.089470869024148
Energy: 1.0442763937365211
Energy: 1.0789274959092556
Energy: 1.1045513271192415
Energy: 1.0440925669428953
Energy: 1.0789274959092556
Energy: 1.080299617155136
Energy: 1.0442763937385975
Energy: 1.078927495907179
Energy: 1.104551327117165
Energy: 1.0440925669449717
Energy: 1.1151117242930868
Energy: 1.058612263848965
Energy: 1.1195556315042503
Energy: 1.11511172429101
Energy: 1.0586122638510418
Energy: 1.1195556315042503
Energy: 1.1151117242889335
Energy: 1.0586122638531181
Energy: 1.1195556315042503
Energy: 1.1151117242972397
Energy: 1.1571994554553509
Energy: 1.1557312493387573
Energy: 1.0982544178285016
Energy: 1.1571994554532743
Energy: 1.1557312493387573
Energy: 1.0982544178305782
Energy: 1.1571994554532743
Energy: 1.1557312493408338
Energy: 1.098254417832655
Energy: 1.1571994554574274
Energy: 1.0693931954485942
Energy: 1.0755716311501513
Energy: 1.0875340727259575
Energy: 1.041155556930885
Energy: 1.0751796579020239
Energy: 1.0875340727259575
Energy: 1.0693931954465177
Energy: 1.0755716311501513
Energy: 1.0875340727259575
Energy: 1.0411555569288085
Energy: 1.0849663381006742
Energy: 1.0704666958091063
Energy: 1.0961150331623069
Energy: 1.0849663381006742
Energy: 1.0704666958132594
Energy: 1.0961150331643834
Energy: 1.0849663381027508
Energy: 1.0704666958174123
Energy: 1.09611503316023
Energy: 1.0849663381027508
Energy: 1.1396108556902125
Energy: 1.1145757450859666
Energy: 1.098356271620981
Energy: 1.1396108556881357
Energy: 1.1145757450838898
Energy: 1.0984228558094387
Energy: 1.1396108556943654
Energy: 1.1145757450859666
Energy: 1.0983562716230577
Energy: 1.139610855692289
Energy: 1.0672885718529468
Energy: 1.133683233839393
Energy: 1.0779779726103862
Energy: 1.0672885718529468
Energy: 1.1336832338352398
Energy: 1.0779779726124625
Energy: 1.0672885718550233
Energy: 1.1336832338352398
Energy: 1.0779779726103862
Energy: 1.06728857185087
Energy: 1.1488344220394735
Energy: 1.0961404875440743
Energy: 1.1036561361980877
Energy: 1.1540326237874186
Energy: 1.0961404875482275
Energy: 1.1036561361939345
Energy: 1.1488344220415503
Energy: 1.096140487546151
Energy: 1.1036561361960109
Energy: 1.1540326237874186
Energy: 1.1485566233327194
Energy: 1.0980761436093658
Energy: 1.0898338366324947
Energy: 1.140511993001033
Energy: 1.0980761436114423
Energy: 1.1580384929465772
Energy: 1.1485566233327194
Energy: 1.0980761436114423
Energy: 1.0898338366324947
Energy: 1.140511993001033
Energy: 1.0648344243184686
Energy: 1.2266022676403063
Energy: 1.099715454606813
Energy: 1.064834424322622
Energy: 1.2266022676382298
Energy: 1.0997154546109662
Energy: 1.0648344243246606
Energy: 1.2266022676382298
Energy: 1.0997154546088896
Energy: 1.064834424322622
Energy: 1.1166230727615343
Energy: 1.099941323238756
Energy: 1.0711041889130157
Energy: 1.1166230727615343
Energy: 1.0999413232346027
Energy: 1.0711041889109392
Energy: 1.116623072763611
Energy: 1.0999413232346027
Energy: 1.0711041889109392
Energy: 1.116623072763611
Energy: 1.0980531958642505
Energy: 1.067516711343638
Energy: 1.069623197184307
Energy: 1.0980531958642505
Energy: 1.067516711343638
Energy: 1.0699225875080485
Energy: 1.098053195862174
Energy: 1.067516711343638
Energy: 1.069623197190537
Energy: 1.098053195862174
Energy: 1.1529380542993157
Energy: 1.1237287583678408
Energy: 1.077366168846437
Energy: 1.1529380542993157
Energy: 1.1237287583699171
Energy: 1.0773661688505904
Energy: 1.1529380542993157
Energy: 1.1237287583678408
Energy: 1.0773661688505904
Energy: 1.1529380543013923
Energy: 1.0928704295719305
Energy: 1.150116816442443
Energy: 1.101937386191549
Energy: 1.0928704295719305
Energy: 1.1501168164445197
Energy: 1.1019373861894721
Energy: 1.0928704295719305
Energy: 1.150116816442443
Energy: 1.1019373861957018
Energy: 1.0928704295719305
Energy: 1.1384140124875515
Energy: 1.0768271781853929
Energy: 1.0659216421197677
Energy: 1.1384140124896278
Energy: 1.0768271781833163
Energy: 1.065921642117691
Energy: 1.1384140124833981
Energy: 1.0768271781833163
Energy: 1.0659216421156144
Energy: 1.1384140124875515
Energy: 1.035953075379245
Energy: 1.1292592961401093
Energy: 1.0766740950471974
Energy: 1.0359530753813215
Energy: 1.1292592961380328
Energy: 1.0766740950513503
Energy: 1.0359530753813215
Energy: 1.129259296142186
Energy: 1.0766740950534268
Energy: 1.0359530753813215
Energy: 1.1030023428659572
Energy: 1.108255997564902
Energy: 1.0662529257678546
Energy: 1.1030023428659572
Energy: 1.1082559975669786
Energy: 1.0662529257699311
Energy: 1.1030023428638807
Energy: 1.1082559975628254
Energy: 1.0662529257699311
Energy: 1.1030023428638807
Energy: 1.18457684657956
Energy: 1.0600978923414326
Energy: 1.0685296264410298
Energy: 1.18457684657956
Energy: 1.0600978923414326
Energy: 1.0685296264368767
Energy: 1.18457684657956
Energy: 1.0600978923414326
Energy: 1.068529626445183
Energy: 1.1845768465774835
Energy: 1.0709217589071445
Energy: 1.2698177621103142
Energy: 1.0718235781770047
Energy: 1.0709217589112976
Energy: 1.2698177621123907
Energy: 1.0718235781749281
Energy: 1.0709217589071445
Energy: 1.2698177621123907
Energy: 1.0718235781770047
Energy: 1.0709217589071445
Energy: 1.1011455412772022
Energy: 1.0823061198016486
Energy: 1.2056539256342087
Energy: 1.1011455412772022
Energy: 1.0823212191560532
Energy: 1.2056539256321321
Energy: 1.1011455412772022
Energy: 1.0823061198037252
Energy: 1.2056539256362853
Energy: 1.1011455412772022
Energy: 1.0843181727093687
Energy: 1.086600984244539
Energy: 1.1033881861512194
Energy: 1.0843181727072921
Energy: 1.086600984244539
Energy: 1.103388186149143
Energy: 1.0843181727072921
Energy: 1.0866009842425002
Energy: 1.1033881861470665
Energy: 1.0843181727093687
Energy: 1.124901911569118
Energy: 1.0809477200953344
Energy: 1.0957988235561364
Energy: 1.1249019115670413
Energy: 1.0809477200953344
Energy: 1.0958017262417723
Energy: 1.124901911569118
Energy: 1.0809477200953344
Energy: 1.095798823562366
Energy: 1.1249019115670413
Energy: 1.0683920424337894
Energy: 1.061814206045784
Energy: 1.0953966666678265
Energy: 1.0683920424317128
Energy: 1.061814206045784
Energy: 1.095396666669903
Energy: 1.0683920424317128
Energy: 1.061814206045784
Energy: 1.095396666669903
Energy: 1.0683920424317128
Energy: 1.095416031663255
Energy: 1.148572944634764
Energy: 1.1402767215350222
Energy: 1.0980343197017552
Energy: 1.148572944634764
Energy: 1.1402767215329457
Energy: 1.0954160316611785
Energy: 1.1485729446368405
Energy: 1.1402767215329457
Energy: 1.0980343197017552

minimum gb energy = 1.016480760696271 eV
minimum distance =  2.27446782093672 Angstroms
sigma value = 437


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

Energy: 0.9903666517224808
Energy: 1.0470275228711552
Energy: 1.0466516043318281
Energy: 0.9903666517232373
Energy: 1.047027522868129
Energy: 1.0466516043318281
Energy: 0.9903666517224808
Energy: 1.0470275228688857
Energy: 1.0466516043333411
Energy: 0.9903666517239939
Energy: 1.1002504760096996
Energy: 0.9727084107488023
Energy: 0.9718765495386054
Energy: 1.1002504760112126
Energy: 0.9727084107488023
Energy: 0.9718765495378489
Energy: 1.1002504760096996
Energy: 0.9727084107495588
Energy: 0.9718765495386054
Energy: 1.1002504760112126
Energy: 1.0077616290294238
Energy: 0.9654027714599099
Energy: 0.9492583173142487
Energy: 1.0077616290279108
Energy: 0.9654027714599099
Energy: 0.9492583173134922
Energy: 1.021302418304914
Energy: 0.9654027714599099
Energy: 0.9492583173142487
Energy: 1.0299487778090857
Energy: 1.0912314997103354
Energy: 1.003867628934959
Energy: 0.9849295584117777
Energy: 1.0912314997103354
Energy: 1.003867628934959
Energy: 0.9849295584117777
Energy: 1.091231499711092
Energy: 1.003867628934959
Energy: 0.984929558411021
Energy: 1.0912314997088224
Energy: 1.0210208321654475
Energy: 0.9898406110692316
Energy: 1.1266715456035414
Energy: 1.0210208321911005
Energy: 0.9898406110707447
Energy: 1.1266715456042977
Energy: 1.0210208322009353
Energy: 0.9898406110692316
Energy: 1.1266715456035414
Energy: 1.0210208322100138
Energy: 0.9763611944229412
Energy: 1.0005705025413112
Energy: 0.9725980059183947
Energy: 0.9763611944229412
Energy: 1.0005705025458504
Energy: 0.9725980059206644
Energy: 0.9763611944229412
Energy: 1.0005705025443374
Energy: 0.9725980059183947
Energy: 0.9763611944229412
Energy: 1.0141821288504327
Energy: 0.9732471102775847
Energy: 0.9681715904664916
Energy: 1.0141821288693458
Energy: 0.9732471102745586
Energy: 0.9681715904680047
Energy: 1.014182128849676
Energy: 0.9732471102768282
Energy: 0.9681715904664916
Energy: 1.0141821288670763
Energy: 0.9868697547183962
Energy: 1.1617980760222975
Energy: 0.9867717668557884
Energy: 0.9868697547168832
Energy: 1.1617980760245672
Energy: 0.9867717668535191
Energy: 0.9868697547176397
Energy: 1.161798076023054
Energy: 0.9867717668784842
Energy: 0.9868697547168832
Energy: 1.1533680883889381
Energy: 0.9895883658444304
Energy: 0.9901484430731796
Energy: 1.1533680883889381
Energy: 0.9895883658429174
Energy: 0.9901484430716667
Energy: 1.1533680883889381
Energy: 0.9895883658444304
Energy: 0.9901484430731796
Energy: 1.1533680883889381
Energy: 1.0898873398095175
Energy: 1.000231372342779
Energy: 1.0988136889339999
Energy: 1.0898873398095175
Energy: 1.0002313723359701
Energy: 1.0988136889347562
Energy: 1.089887339810274
Energy: 1.0002313723405092
Energy: 1.0988136889332432
Energy: 1.0898873398095175
Energy: 1.013493563697626
Energy: 0.9670840576982153
Energy: 0.9907116948260007
Energy: 1.0134935636983826
Energy: 0.9670840576989719
Energy: 0.9907116948260007
Energy: 1.0134935636968696
Energy: 0.9670840576996595
Energy: 1.0306093152047708
Energy: 1.0134935636983826
Energy: 1.0003321700075967
Energy: 0.9607612450541834
Energy: 1.0229783416090252
Energy: 1.0003321700098662
Energy: 0.9607612450534269
Energy: 1.022978341609782
Energy: 1.0003321700083532
Energy: 0.9607612450534269
Energy: 1.0229783416105385
Energy: 1.0003321700083532
Energy: 0.9901426733485346
Energy: 1.2036200363956093
Energy: 0.9900644715003167
Energy: 0.9901426733492911
Energy: 1.203620036394853
Energy: 0.9900644715010732
Energy: 0.9901426733485346
Energy: 1.2036200363956093
Energy: 0.9900644714995602
Energy: 0.9901426733492911
Energy: 0.9648860332955355
Energy: 0.9646884564463315
Energy: 0.9886188273184112
Energy: 0.964886033296292
Energy: 0.9646884564463315
Energy: 0.9886188273554809
Energy: 0.9648860332955355
Energy: 0.964688456445575
Energy: 0.9886188283105599
Energy: 0.964886033296292

minimum gb energy = 0.9492583173134922 eV
minimum distance =  2.20515772548235 Angstroms
sigma value = 33