Model name: model_name=EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.1529443860054025
cohesive_energy=3.0334434765357696
mass=196.9665
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=[6.71130963686358e-20, 1.139753209541652e-19, 1.55652261081417e-19, 1.9319686723425598e-19, 2.2724632506002397e-19, 2.5823562551485196e-19, 2.8648840827880797e-19, 3.1225140855352796e-19, 3.3572650059489596e-19, 3.5707710641957994e-19, 3.76424991451764e-19, 3.93930373354848e-19, 4.09658941370826e-19, 4.2370682609773795e-19, 4.36157340720552e-19, 4.4707937883453e-19, 4.565370275050319e-19, 4.64586362914248e-19, 4.71281859067734e-19, 4.76668376911242e-19, 4.807923795671579e-19, 4.836939214513319e-19, 4.854082504497119e-19, 4.8597221662488e-19, 4.853569807974239e-19, 4.833446469451199e-19, 4.79646823273848e-19, 4.739366657502719e-19, 4.65783188859846e-19, 4.54684911316128e-19, 4.40023392938394e-19, 4.2103439547222594e-19, 3.9677263470356394e-19, 3.66063715159686e-19, 3.2742722563077597e-19, 2.7900143686812597e-19, 2.1840070786371e-19, 1.4254533469165318e-19, 4.7508542639684996e-20, -7.199797270803839e-20, -2.22923652501492e-19, -4.14665743352076e-19, -6.60114397150974e-19, -9.77249240084934e-19, -1.391665043882106e-18, -1.9406364479325e-18, -2.6780702872636798e-18, -3.69272874957588e-18, -5.1742935265683596e-18, -7.546796686195559e-18, -1.1555955320986439e-17, -1.8826376537816997e-17, -3.3316462015712997e-17, -6.63668024925186e-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: 0.010029789536091354
Energy: 0.07906431611446917
Energy: 0.08746096627954343
Energy: 0.08423940439464117
Energy: 0.012345556754386573
Energy: 0.010924761990418388
Energy: 0.07944098653344758
Energy: 0.09494117992341759
Energy: 0.08264559386705467
Energy: 0.011835639087608325
Energy: 0.08330287202011011
Energy: 0.08534083564123157
Energy: 0.07943367794440226
Energy: 0.11280611468865798
Energy: 0.08322067529343848
Energy: 0.07720803877764208
Energy: 0.08365745470468637
Energy: 0.08574657433156443
Energy: 0.3904366560488766
Energy: 0.08918894390395617
Energy: 0.08218069711793635
Energy: 0.012370344411042306
Energy: 0.01037953585949881
Energy: 0.0862717625194651
Energy: 0.09598896698193446
Energy: 0.08089352431732655
Energy: 0.011792956591959447
Energy: 0.010293358729489418
Energy: 0.08488966445705737
Energy: 0.09212426889886371
Energy: 0.0940062538617543
Energy: 0.010949428878043635
Energy: 0.010747230635124077
Energy: 0.08810397161028712
Energy: 0.08469359002693545
Energy: 0.09347984088175139
Energy: 0.010814631359909819
Energy: 0.010467404517902295
Energy: 0.08702154814946671
Energy: 0.08699888630455994
Energy: 0.09210246401792839
Energy: 0.08536786102174895
Energy: 0.08831471873226153
Energy: 0.011202103399107526
Energy: 0.01056092872992247
Energy: 0.0950580607121162
Energy: 0.08523793895223822
Energy: 0.09023570126282768
Energy: 0.011704883032780037
Energy: 0.0872257915943416
Energy: 0.08269872840613694
Energy: 0.09941381854488414
Energy: 0.08302991881167192
Energy: 0.010784818746140231
Energy: 0.012787391691652038
Energy: 0.08389752627680132
Energy: 0.38302309171830284
Energy: 0.07919512239521524
Energy: 0.010660045540456147
Energy: 0.013482647738868361
Energy: 0.013353905271620772
Energy: 0.09695309059820188
Energy: 0.0725112239430451
Energy: 0.0828172969473219
Energy: 0.11983026621932719
Energy: 0.013093556321515465
Energy: 0.09129208852769723
Energy: 0.0772861813052511
Energy: 0.08212644843550726
Energy: 0.0714964272044482

minimum gb energy = 0.010029789536091354 eV
minimum distance =  2.89952934313925 Angstroms
sigma value = 3


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

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Energy: 0.536762701123667
Energy: 0.5545732689655056
Energy: 0.5252461254326977
Energy: 0.5653779556392434
Energy: 0.6181543934546272
Energy: 0.5480965326284037
Energy: 0.532727097608441
Energy: 0.5263423335902242
Energy: 0.5626363941354602
Energy: 0.6072538127865206
Energy: 0.6083986092108145
Energy: 0.5261990256970774
Energy: 0.4713174403939649
Energy: 0.5201345434773402
Energy: 0.4932502045427634
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Energy: 0.47799379408120946
Energy: 0.5524658647175233
Energy: 0.5447639621795791
Energy: 0.5906624733997914
Energy: 0.483847556307741
Energy: 0.5500845405663907
Energy: 0.547957842139966
Energy: 0.5100181259188042
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Energy: 0.48464681097445045
Energy: 0.5451271894428903
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Energy: 0.5488371272878775
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Energy: 0.48008251339161817
Energy: 0.674868373692087
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Energy: 0.5851025241471449
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Energy: 0.5157210865682419
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Energy: 0.5508630408356162
Energy: 0.5801768103454581
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Energy: 0.5347471457076101
Energy: 0.5440097112318055
Energy: 0.496207745290644
Energy: 0.5426943713650662
Energy: 0.5078613670933922
Energy: 0.5300987691018002
Energy: 0.5248260096570969
Energy: 0.5548282626374789
Energy: 0.6456163415194821
Energy: 0.5077551605154311
Energy: 0.4763851144101508
Energy: 0.6158312658328747
Energy: 0.560285120900235
Energy: 0.6663360777345994
Energy: 0.4955939989654673
Energy: 0.5116987956597523
Energy: 0.577339529421894
Energy: 0.5573476064018813
Energy: 0.6196887449864867
Energy: 0.5984663965548366
Energy: 0.5924501082099376
Energy: 0.5966473395176417
Energy: 0.5853769104530029
Energy: 0.5823154676396372
Energy: 0.5441659346354649
Energy: 0.5719528015073889
Energy: 0.5750161004576014
Energy: 0.5588505489759743
Energy: 0.5364570514286694
Energy: 0.5461261514304045
Energy: 0.5299377209648007
Energy: 0.5795304010139294
Energy: 0.5539229002321463
Energy: 0.49414062314278984
Energy: 0.5108740287884019
Energy: 0.5265623254400119
Energy: 0.5741374353526403
Energy: 0.59726124377367
Energy: 0.6573731583837827
Energy: 0.5433560810792166
Energy: 0.5673459278476481
Energy: 0.5209469094659046
Energy: 0.5387224544347268
Energy: 0.6709193949203586
Energy: 0.5401422227196941
Energy: 0.542883676700192
Energy: 0.5228294779934073
Energy: 0.5650972592490244

minimum gb energy = 0.4543293392817545 eV
minimum distance =  2.70963023423227 Angstroms
sigma value = 75


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

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Energy: 0.6060954793766644
Energy: 0.5320968636115538
Energy: 0.5414692187345755
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minimum gb energy = 0.5142540077921343 eV
minimum distance =  2.67681604723358 Angstroms
sigma value = 105


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

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Energy: 0.5819439348016392
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Energy: 0.5553052647523496
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Energy: 0.5699962136869712
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Energy: 0.5275232885033538
Energy: 0.5439835337374966
Energy: 0.5338048726278627
Energy: 0.5716734866706857
Energy: 0.5526325707555167
Energy: 0.5433610596330423
Energy: 0.6144148459034237
Energy: 0.593706311799081
Energy: 0.5995948055706979
Energy: 0.5567006945437211
Energy: 0.5257898948651719
Energy: 0.5732988973018526
Energy: 0.5958837801466281
Energy: 0.5463697241021017
Energy: 0.576560718201906
Energy: 0.5725361292984545
Energy: 0.5812005843721553
Energy: 0.5445596686649932
Energy: 0.54294634752954
Energy: 0.5771907576425895
Energy: 0.5515137801186422
Energy: 0.5829705491613966
Energy: 0.5464196588347803
Energy: 0.5421355233975956
Energy: 0.5560121105731343
Energy: 0.5919701066067017
Energy: 0.5642136538656807
Energy: 0.545787476335661
Energy: 0.5302212791215153
Energy: 0.5962322393856598
Energy: 0.5897407147790955
Energy: 0.5396704397338263
Energy: 0.5470442542991377
Energy: 0.5522098101749672
Energy: 0.6111710358227078
Energy: 0.5604055565700019
Energy: 0.5376142408106254
Energy: 0.5671187221595554
Energy: 0.559444759138177
Energy: 0.6073048696215931
Energy: 0.5443918837123788
Energy: 0.5591815866734436
Energy: 0.5537417607909811
Energy: 0.5654255421397031
Energy: 0.6082181493238366
Energy: 0.5598149405531896
Energy: 0.5548109244972314
Energy: 0.5577141425553114
Energy: 0.589791446968762
Energy: 0.528741651511024
Energy: 0.5303727027827945
Energy: 0.5386876816230651
Energy: 0.5470334247831401
Energy: 0.5870505468351616
Energy: 0.5864986519093932
Energy: 0.558378133213371
Energy: 0.5245443933971495
Energy: 0.5652579739751988
Energy: 0.5666302811670626
Energy: 0.5398387398977379
Energy: 0.5546234487236107
Energy: 0.5248353832064037
Energy: 0.5705513133610018
Energy: 0.5535129109784966
Energy: 0.5867535455733106

minimum gb energy = 0.5245443933971495 eV
minimum distance =  2.66341270236329 Angstroms
sigma value = 165


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

Energy: 0.6683906303798105
Energy: 0.5360215430793749
Energy: 0.5208806964601318
Energy: 0.5226540977084018
Energy: 0.5227141309148425
Energy: 0.6682868767388922
Energy: 0.5220846877310189
Energy: 0.522428440225949
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Energy: 0.5227448173965836
Energy: 0.5539791116593898
Energy: 0.5205633777900691
Energy: 0.5225018634483228
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Energy: 0.5212769935956344
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Energy: 0.5061478791033681
Energy: 0.5193005408216674
Energy: 0.5122169445670289
Energy: 0.5224674558586107
Energy: 0.5328841293318289
Energy: 0.5248380527180753
Energy: 0.5418620655996897
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Energy: 0.523511497614478
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Energy: 0.522735195437104
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Energy: 0.5241701952928315
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Energy: 0.5166544631354262
Energy: 0.5172390013098366
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Energy: 0.527705233386677
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Energy: 0.5173145436732818
Energy: 0.5138304686392147
Energy: 0.5252592446004496
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Energy: 0.5239244343277167
Energy: 0.5251260006651837
Energy: 0.5228105370244336
Energy: 0.5196177087957088
Energy: 0.5097546131588271
Energy: 0.5351100494788302
Energy: 0.5260191257502739
Energy: 0.5265894828670006
Energy: 0.5200916031533345
Energy: 0.5106499479193027
Energy: 0.5343756367219417
Energy: 0.5251327641235786
Energy: 0.5080966643023702
Energy: 0.5137307017491825
Energy: 0.524632944790549
Energy: 0.5147166933046495
Energy: 0.5165234379275232
Energy: 0.5091192233032863
Energy: 0.5131084346946773
Energy: 0.523876709724254
Energy: 0.5132235373732178
Energy: 0.5086602729075095
Energy: 0.5216103252815762
Energy: 0.5251957940593536
Energy: 0.5134073121008649
Energy: 0.5123123860614234
Energy: 0.5177738909521032
Energy: 0.5179202373999228
Energy: 0.5329509907644113
Energy: 0.5103524611561309
Energy: 0.5127320434238362
Energy: 0.5291307397407311
Energy: 0.5102614067457552
Energy: 0.521012925863919
Energy: 0.5222258851751426
Energy: 0.5204998852840966
Energy: 0.5275162355740817
Energy: 0.5111025418610512
Energy: 0.5254417039875756
Energy: 0.5209318236055063
Energy: 0.5194708398281713

minimum gb energy = 0.5015009828872684 eV
minimum distance =  2.69702728491575 Angstroms
sigma value = 41


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

Energy: 0.8975927457682693
Energy: 0.46189312268331495
Energy: 0.4864449948911226
Energy: 0.46711292257243386
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Energy: 0.4924600975997036
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Energy: 0.4577015685323171
Energy: 0.5036047015178808
Energy: 0.50426260923482
Energy: 0.4737938456302495
Energy: 0.5012105161544882
Energy: 0.4858288395124628
Energy: 0.5085926740945762
Energy: 0.49103019503870604
Energy: 0.5200071300807476
Energy: 0.49316009819514006
Energy: 0.4654460763648008
Energy: 0.46679293751508744
Energy: 0.4587181617596798
Energy: 0.47045659066525847
Energy: 0.47742869080456324
Energy: 0.46073520711198324
Energy: 0.5076568260799093
Energy: 0.4971289251109908
Energy: 0.48929006649064694
Energy: 0.5338751402410682
Energy: 0.5373974077075433
Energy: 0.452577075110939
Energy: 0.5610751382971334
Energy: 0.4681575333291237
Energy: 0.5207182780399401
Energy: 0.4766353821611711
Energy: 0.48551868448148994

minimum gb energy = 0.4519949217132205 eV
minimum distance =  2.73990218305807 Angstroms
sigma value = 185


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

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Energy: 0.3882659433482301
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Energy: 0.3715728271998994
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Energy: 0.1815347649963734
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Energy: 0.40324432346027084
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Energy: 0.23374158154846936
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Energy: 0.39676482808367575
Energy: 0.3881012901355055
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Energy: 0.34999283269292236
Energy: 0.38435857664399264
Energy: 0.3628566612991026
Energy: 0.4032485020413816
Energy: 0.37228976053556473
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Energy: 0.42640491186907875
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Energy: 0.2942357067362381
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Energy: 0.19013697465582413
Energy: 0.40364262582768035
Energy: 0.39468546242040264
Energy: 0.4131540308123777
Energy: 0.2923619232254284

minimum gb energy = 0.17835405694897485 eV
minimum distance =  2.75993333959764 Angstroms
sigma value = 33


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

Energy: 0.7368390427219111
Energy: 0.4317266372612349
Energy: 0.45717625359443126
Energy: 0.4377425727443901
Energy: 0.3982483666206941
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Energy: 0.40300441715760243
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Energy: 0.4273863776413961
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Energy: 0.43943135851679554
Energy: 0.48042397532003855
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Energy: 0.42721867977090594
Energy: 0.4294233424994471
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Energy: 0.4431160431778264
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Energy: 0.40859557413807507
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Energy: 0.3971291399419285
Energy: 0.4146175300970037
Energy: 0.4322936943879623
Energy: 0.45178717157741327
Energy: 0.4140566153473685

minimum gb energy = 0.39643551066847554 eV
minimum distance =  2.71311154683493 Angstroms
sigma value = 219


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

Energy: 0.7530048630520247
Energy: 0.5404821613180872
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Energy: 0.5986159400449432
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Energy: 0.5414129324750204
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Energy: 0.5363475133713919
Energy: 0.5500352561405021
Energy: 0.5191011798162333
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Energy: 0.5185108752024733
Energy: 0.5402797242742867
Energy: 0.5220118370467391
Energy: 0.5139287626124489
Energy: 0.5201708638135789
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Energy: 0.5505858862387593
Energy: 0.5172910524027258
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Energy: 0.5083340702979101
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Energy: 0.5355231507159133
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Energy: 0.5187612423120682
Energy: 0.5107580592875716
Energy: 0.5171527739111348
Energy: 0.5353107730039026
Energy: 0.5372345514120549
Energy: 0.5181186811020163

minimum gb energy = 0.5083340702979101 eV
minimum distance =  2.71286873453901 Angstroms
sigma value = 15


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

Energy: 0.8894548395802686
Energy: 0.6231405287105571
Energy: 0.632710023888641
Energy: 0.6123169941269296
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Energy: 0.6011669437061432
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Energy: 0.6246725667688833
Energy: 0.595809030787488
Energy: 0.6087342375886949
Energy: 0.6097313490110836
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Energy: 0.6342258967798462
Energy: 0.6482950714878382
Energy: 0.6155064022718301
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minimum gb energy = 0.595553963851581 eV
minimum distance =  2.68034617263123 Angstroms
sigma value = 293


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

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Energy: 0.6064110535479429
Energy: 0.6239490677444104
Energy: 0.6074548288716258
Energy: 0.6148975607021397
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Energy: 0.6074855948535428
Energy: 0.6103413084746354
Energy: 0.6301144638793456
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Energy: 0.6197573811036265
Energy: 0.7023334513231433
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Energy: 0.6122732664842181
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Energy: 0.8324177185204154
Energy: 0.623521147024822
Energy: 0.6135933421348512
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Energy: 0.5992147929973247
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Energy: 0.6099338712863762
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Energy: 0.6187465980721744
Energy: 0.6067006044755495
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Energy: 0.6068413498973164
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Energy: 0.6230419980355745
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Energy: 0.6171780080988563
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Energy: 0.6390419654362396
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Energy: 0.6836871068155977
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Energy: 0.6091165122883709
Energy: 0.6145429387460181
Energy: 0.6513160705796165
Energy: 0.6340136416711272
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Energy: 0.59405433643478
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Energy: 0.6240982295889951
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Energy: 0.6062500185715067
Energy: 0.6181507487069737
Energy: 0.602479504471265
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Energy: 0.5935594706364847
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Energy: 0.6353950110284113
Energy: 0.6203592766865221
Energy: 0.6126893740756549
Energy: 0.6058274460239784
Energy: 0.6290587857344643
Energy: 0.6355918233069724
Energy: 0.7067103632323217
Energy: 0.6318066674449803
Energy: 0.6063485766628174
Energy: 0.6061053380553805
Energy: 0.6200032239368566
Energy: 0.6247952066037463
Energy: 0.6143477199781495
Energy: 0.6061988004110629
Energy: 0.608309048927753
Energy: 0.6396217185903186
Energy: 0.5874144265551025
Energy: 0.6182952715218053
Energy: 0.6136006868130148
Energy: 0.5983450159915605
Energy: 0.6348149000647595
Energy: 0.6009316882503329
Energy: 0.615732974776576
Energy: 0.6163313016016108
Energy: 0.5967060229947567
Energy: 0.6396557240367543
Energy: 0.6509317090702221
Energy: 0.610447632442446
Energy: 0.6146928871051419
Energy: 0.6283026095840533
Energy: 0.6794172912202341
Energy: 0.6133123913774219
Energy: 0.610616600312561
Energy: 0.614148112159598
Energy: 0.6185075224587933
Energy: 0.7056849321704124
Energy: 0.5981879245611318
Energy: 0.6191957749444047
Energy: 0.6319168586771223
Energy: 0.6555814007153913
Energy: 0.6075318806482832
Energy: 0.6391838076212694
Energy: 0.6424168502046882
Energy: 0.6341384671681112
Energy: 0.6307593315567093
Energy: 0.6106565336059185
Energy: 0.6371907230777342
Energy: 0.6090998669457788
Energy: 0.6116108769443994
Energy: 0.6430589577238184
Energy: 0.604761686321182
Energy: 0.6340579574505947
Energy: 0.6083816667319439
Energy: 0.5920895259778979
Energy: 0.642113562062775
Energy: 0.6066708578477826
Energy: 0.6349122214657169
Energy: 0.5875358832053297
Energy: 0.6029053804839988
Energy: 0.608922975662901
Energy: 0.6241645997329849
Energy: 0.6014416348882139
Energy: 0.6265096496827194
Energy: 0.6018401674508339
Energy: 0.677660857574141
Energy: 0.6230430883500817
Energy: 0.597440138230271

minimum gb energy = 0.584986590282032 eV
minimum distance =  2.66782031676168 Angstroms
sigma value = 293


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

Energy: 0.566878352193591
Energy: 0.5807400642620497
Energy: 0.6026858516766612
Energy: 0.6064846709450437
Energy: 0.5764135704935065
Energy: 0.5671032038596118
Energy: 0.584239805974267
Energy: 0.6023754064857034
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Energy: 0.5688080678283057
Energy: 0.6234397647961165
Energy: 0.5881295965093201
Energy: 0.5739545660827323
Energy: 0.5910581985397763
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Energy: 0.6053210890481409
Energy: 0.5795295709428859
Energy: 0.5789645937212745
Energy: 0.5917663933931951
Energy: 0.60271061649832
Energy: 0.5840017005054796
Energy: 0.6151259045073262
Energy: 0.5818632984562707
Energy: 0.6019576435810561
Energy: 0.6099632281353558
Energy: 0.5925810735193401
Energy: 0.5906508097118935
Energy: 0.578546231290647
Energy: 0.6045816016109931
Energy: 0.6283935228266133
Energy: 0.6051569370213754
Energy: 0.5939832213814861
Energy: 0.5692552140907658
Energy: 0.5916624106375525
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Energy: 0.580063956137281
Energy: 0.6007268332649907
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Energy: 0.5790939610847733
Energy: 0.5978964630908001
Energy: 0.567849410319574
Energy: 0.5882777119189712
Energy: 0.5920791638101959
Energy: 0.6025083475174052
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Energy: 0.5671303518062473
Energy: 0.5856759311664711
Energy: 0.5930313765165038
Energy: 0.6133479924025891
Energy: 0.6028132484726968
Energy: 0.6369384251293739
Energy: 0.60128592468031
Energy: 0.5739355934290973
Energy: 0.574359642925884
Energy: 0.6068092217353704
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Energy: 0.5737545864880818
Energy: 0.5798718804180508
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Energy: 0.5713164725410204
Energy: 0.6184503895253027
Energy: 0.5819061280328885
Energy: 0.5866783604718715
Energy: 0.5877510926240785
Energy: 0.5811811627980101
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Energy: 0.577067801199746
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Energy: 0.649736447046901
Energy: 0.6243830971734902
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Energy: 0.6146240497678528
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Energy: 0.6153780650167955
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Energy: 0.6078906230863996
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Energy: 0.616586398881676
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Energy: 0.5668135580864331
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Energy: 0.6030476348244291
Energy: 0.6025779152105284
Energy: 0.5736134746419347
Energy: 0.6206398546074925
Energy: 0.5847339775294972
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Energy: 0.5771267055819131
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Energy: 0.5928912230318255
Energy: 0.5998033511096562
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Energy: 0.6164679486556287
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Energy: 0.6030129435827365
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Energy: 0.6208618998497417
Energy: 0.6047520774153892
Energy: 0.590922166681763
Energy: 0.5700182766631893
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Energy: 0.5888905142203414
Energy: 0.6054619397300017
Energy: 0.5905849341346401
Energy: 0.5707119952501803
Energy: 0.589684071137727
Energy: 0.6306056925198795
Energy: 0.6023694780917214
Energy: 0.5743369182307767
Energy: 0.5793684428979903
Energy: 0.6024236741294967
Energy: 0.5859633082013979
Energy: 0.5888691877773862
Energy: 0.5707305202900175
Energy: 0.5699169844638958
Energy: 0.6008468768606509
Energy: 0.5902091243328721
Energy: 0.5928066778535209
Energy: 0.6127610861952134
Energy: 0.5841369588005084
Energy: 0.576399019610261
Energy: 0.5796669749195095
Energy: 0.6001989781765201
Energy: 0.6090404385488173
Energy: 0.6036303216719552
Energy: 0.5755693132502379
Energy: 0.57999555619428
Energy: 0.6274222723275714
Energy: 0.5672913276274271
Energy: 0.5838115569478909
Energy: 0.5798670931981763
Energy: 0.6058467938768362
Energy: 0.6343072976364141
Energy: 0.5678818194723168
Energy: 0.5870779576790343
Energy: 0.5959394551816497
Energy: 0.6069481304874651
Energy: 0.6035705924261858
Energy: 0.6358216060290812
Energy: 0.5885640922000682
Energy: 0.5724814862449277
Energy: 0.5737241452003256
Energy: 0.6037287420030474
Energy: 0.6499361233026553
Energy: 0.5924004084394192
Energy: 0.5718442687767805
Energy: 0.5767016447166262
Energy: 0.5884559944268294
Energy: 0.5788514597302323
Energy: 0.5899833497016649
Energy: 0.5767840478433295
Energy: 0.5966838673556023
Energy: 0.5846879384832719
Energy: 0.5861844699447532
Energy: 0.5880112709373507
Energy: 0.5799646105781959
Energy: 0.6055218281513087
Energy: 0.5793429212467543
Energy: 0.5855286912189246
Energy: 0.6452301625519583
Energy: 0.6229186804073655
Energy: 0.6155714896418711
Energy: 0.5834297531720174
Energy: 0.5816511950162714
Energy: 0.6520295498004594
Energy: 0.6064483335240527
Energy: 0.6143723829364434
Energy: 0.5911725966612653
Energy: 0.5820495843751672
Energy: 0.6155315942707347
Energy: 0.5983776192061486
Energy: 0.6088361808783552
Energy: 0.5895916951670664
Energy: 0.5921509134920555
Energy: 0.5833585844713555
Energy: 0.5834510890459176
Energy: 0.6061630367584548

minimum gb energy = 0.5668135580864331 eV
minimum distance =  2.69335504684738 Angstroms
sigma value = 15


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

Energy: 0.9253792079291484
Energy: 0.6566777736495557
Energy: 0.6143478288874893
Energy: 0.5973114424382285
Energy: 0.6357341124548845
Energy: 0.5937935822565261
Energy: 0.6523755658779848
Energy: 0.6489968882438487
Energy: 0.6592897641997901
Energy: 0.6341129040946295
Energy: 0.5883877088460064
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Energy: 0.5972352081326805
Energy: 0.6029485106368454
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Energy: 0.6096741463145482
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Energy: 0.6322735065052562
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Energy: 0.6723448825506014
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Energy: 0.6840638687772018
Energy: 0.670504490897016
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Energy: 0.6459561584720575
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Energy: 0.6700642364673304
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Energy: 0.6065264946132003
Energy: 0.5839157217462003
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Energy: 0.6684533569863456
Energy: 0.6511876190905984
Energy: 0.6035522299312944
Energy: 0.5844202857579299
Energy: 0.6544766317279028
Energy: 0.6340216325052335
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Energy: 0.5861160965101545
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Energy: 0.634629002982798
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Energy: 0.6113039522815319
Energy: 0.6688833487739955
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Energy: 0.5933587222904545
Energy: 0.6118168202389864
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Energy: 0.6333942000456995
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Energy: 0.6725103183978147
Energy: 0.6651505327912755
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Energy: 0.6289451956148423
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Energy: 0.6124409483606696
Energy: 0.6161760104093951
Energy: 0.6300430786612177
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Energy: 0.7006158552686611
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Energy: 0.7104335360859934
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Energy: 0.604306214397995
Energy: 0.6630880408210756
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Energy: 0.5926248938060362
Energy: 0.58885587850871
Energy: 0.6049109667347656
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Energy: 0.5962670342609931
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Energy: 0.6073939403657992
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Energy: 0.6029184954200589
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Energy: 0.6274647606147039
Energy: 0.6131091355331453
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Energy: 0.6816631462082278
Energy: 0.7167749720173145
Energy: 0.7115269516296142
Energy: 0.6432186391713943
Energy: 0.5931922816372357
Energy: 0.6071668809098706
Energy: 0.6608990369418832
Energy: 0.5976736605162394
Energy: 0.5949086123801094
Energy: 0.5901093645962272
Energy: 0.6022550166785662
Energy: 0.6838344258711221
Energy: 0.5961905752659953
Energy: 0.5957049245342839
Energy: 0.5908847156261446
Energy: 0.6159187180009523
Energy: 0.6592967839712945
Energy: 0.6030334439725696
Energy: 0.5977398852554131
Energy: 0.5904293638314343
Energy: 0.5900783465515961
Energy: 0.6584701901820978
Energy: 0.6270753719862943
Energy: 0.6019684509768016
Energy: 0.5910825987080768
Energy: 0.6066502962642742
Energy: 0.5895506466017365
Energy: 0.6153607757788392
Energy: 0.6084734983937312
Energy: 0.6390345322164019
Energy: 0.6195955850014817
Energy: 0.616192014667723
Energy: 0.6139445734819423
Energy: 0.6052311749738396
Energy: 0.6406475643625192
Energy: 0.5888354223038682
Energy: 0.5978146418100286
Energy: 0.6033234509433325
Energy: 0.7115166038937429
Energy: 0.6214882775378378
Energy: 0.5968062932463072
Energy: 0.5992253203285562
Energy: 0.6128683925927065
Energy: 0.7141432405725483
Energy: 0.620160291975532
Energy: 0.5904124128603536
Energy: 0.5915311183531298
Energy: 0.6032530707128292
Energy: 0.642478883942855
Energy: 0.6092682458383334
Energy: 0.5891384086026025
Energy: 0.5955369003496037
Energy: 0.6080031649745828
Energy: 0.5985827848176948
Energy: 0.6051495350942111
Energy: 0.5969118112538087
Energy: 0.5854561188938646
Energy: 0.6616244614785547
Energy: 0.6597600179170952
Energy: 0.608791328401771
Energy: 0.5926894394503643
Energy: 0.6069824349982796
Energy: 0.6631849454586485
Energy: 0.6458662613965536
Energy: 0.6250029169014344
Energy: 0.6363483037450691
Energy: 0.65715483338919
Energy: 0.6547946120292467
Energy: 0.6132592031812122
Energy: 0.5763179984365002
Energy: 0.6009183345736793
Energy: 0.6566014978138175
Energy: 0.6676633466349504
Energy: 0.6205072762126245
Energy: 0.5874113508350912

minimum gb energy = 0.5726466126695635 eV
minimum distance =  2.66371166036843 Angstroms
sigma value = 437


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

Energy: 0.7845705150936523
Energy: 0.6216897649512726
Energy: 0.6000540019688589
Energy: 0.6242299170672276
Energy: 0.613790204862689
Energy: 0.7807423519732976
Energy: 0.6244037686750756
Energy: 0.6038039844773312
Energy: 0.6418049784175127
Energy: 0.629015189313405
Energy: 0.6015162457880748
Energy: 0.6613720475979243
Energy: 0.6362741448216991
Energy: 0.6456247875269309
Energy: 0.6122284895983094
Energy: 0.5947856545387792
Energy: 0.6579939237543936
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Energy: 0.5703196155004633
Energy: 0.6022188371786548
Energy: 0.6091193730470807
Energy: 0.623423481508273
Energy: 0.5614438468227431
Energy: 0.6101059896264838
Energy: 0.6007012854698294
Energy: 0.6135900902573924
Energy: 0.6250336370910206
Energy: 0.5598220794410415
Energy: 0.6126517196933716
Energy: 0.5591928918971247
Energy: 0.5604748710723227
Energy: 0.6242597024662128
Energy: 0.6139480005316579
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Energy: 0.5599703973695812
Energy: 0.5601400211497549
Energy: 0.6213060740101144
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Energy: 0.6157314043880336
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Energy: 0.5992796934818764
Energy: 0.7826166661883591
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Energy: 0.6051813269991284
Energy: 0.5792407081785921
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Energy: 0.6003296995302415
Energy: 0.5970103935146186
Energy: 0.6058123799711594
Energy: 0.5837129685619655
Energy: 0.606365027312351
Energy: 0.6119734362877495
Energy: 0.617913969557495
Energy: 0.5703145633918831
Energy: 0.5672314153010557
Energy: 0.6475720653044794
Energy: 0.6066129434427883
Energy: 0.6075358119687794
Energy: 0.5697304086455994
Energy: 0.5998116303038236
Energy: 0.6465302380818585
Energy: 0.557713021798349
Energy: 0.6216628678460955
Energy: 0.6456849679479914
Energy: 0.6305193245517122
Energy: 0.5961967816669389
Energy: 0.5566190820387374
Energy: 0.620133656233995
Energy: 0.5894555199665498
Energy: 0.6213288238163198
Energy: 0.5961222399666359
Energy: 0.6414410003437294
Energy: 0.5981063368338937
Energy: 0.5584438894930972
Energy: 0.5984996990310677
Energy: 0.5953421339218219
Energy: 0.6101123361967388
Energy: 0.5998019460067537
Energy: 0.5576795539859454
Energy: 0.5976042666073571
Energy: 0.6678490885931394
Energy: 0.5701463479556178
Energy: 0.5665946669522118
Energy: 0.6220081898948873
Energy: 0.58829476765053
Energy: 0.5657452015237566
Energy: 0.5718429364008656
Energy: 0.5689414734704487
Energy: 0.6273114882890216
Energy: 0.5934333089628192
Energy: 0.5617926729629049
Energy: 0.557459173433935
Energy: 0.5553276110592046
Energy: 0.5658366871158642
Energy: 0.6249412367363832
Energy: 0.5691970346062105
Energy: 0.5568699152066998
Energy: 0.5566850958044921
Energy: 0.5682219429244699
Energy: 0.5963006534388166
Energy: 0.5682779033655865
Energy: 0.5686197203623478
Energy: 0.5649698433326428
Energy: 0.6988854883027696
Energy: 0.6486742176370784
Energy: 0.5904036643140239
Energy: 0.5696504441926467
Energy: 0.5662462922484327
Energy: 0.7017529652143677
Energy: 0.6479090785120507
Energy: 0.5897016653721616
Energy: 0.6556288514680615
Energy: 0.6405864602585867
Energy: 0.5873567929368895
Energy: 0.6002287411423158
Energy: 0.5529862014749636
Energy: 0.6522680326980451
Energy: 0.6078849205961447
Energy: 0.6653248301775205
Energy: 0.598233029160188
Energy: 0.5633956535859249

minimum gb energy = 0.5529862014749636 eV
minimum distance =  2.73556768697484 Angstroms
sigma value = 33