Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
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=3.9946166351437573
cohesive_energy=3.28511992291482
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: -6.30324000329931e-20 eV

========================================
theta = 0.0
========================================

Energy: 0.012728599151590777
Energy: 0.23177080684133866
Energy: 0.12720061240444352
Energy: 0.23168428367755345
Energy: 0.012728599151590777
Energy: 0.23177080684133866
Energy: 0.12720061240444352
Energy: 0.23857121165826273
Energy: 0.013054136549518104
Energy: 0.11436288615002972
Energy: 0.013033144822933426
Energy: 0.23857121165826273
Energy: 0.013054136549518104
Energy: 0.11436288615002972
Energy: 0.012728599151590777
Energy: 0.23177080684133866
Energy: 0.12720061240444352
Energy: 0.23168428367755345
Energy: 0.01272859915138107
Energy: 0.23177080684154838
Energy: 0.12720061240444352
Energy: 0.23857121165826273
Energy: 0.013054136549518104
Energy: 0.11436288614984332
Energy: 0.013033144822933426
Energy: 0.23857121165826273
Energy: 0.013054136549518104
Energy: 0.11436288615002972
Energy: 0.01272859915138107
Energy: 0.23177080684133866
Energy: 0.12720061240444352
Energy: 0.23168428367755345
Energy: 0.01272859915138107
Energy: 0.23177080684154838
Energy: 0.12720061240444352
Energy: 0.23857121165826273
Energy: 0.013054136549518104
Energy: 0.11436288615002972
Energy: 0.013033144822933426
Energy: 0.23857121165826273
Energy: 0.013054136549518104
Energy: 0.11436288614984332

minimum gb energy = 0.01272859915138107 eV
minimum distance =  2.80452215780667 Angstroms
sigma value = 5


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

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Energy: 0.5246632871613928
Energy: 0.5098514335884757
Energy: 0.5171381119980051
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Energy: 0.5272296343639942
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Energy: 0.5075251711132901
Energy: 0.5063201374412833
Energy: 0.5187666891524333
Energy: 0.5037609382411214
Energy: 0.5075251711132901
Energy: 0.5063201374412833
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Energy: 0.4942517020993686
Energy: 0.5112893789704809
Energy: 0.5250306489226734
Energy: 0.5112331136492221
Energy: 0.4942517020993686
Energy: 0.5112893789704809
Energy: 0.5250306489226734
Energy: 0.5072677496969525
Energy: 0.5208820789981766
Energy: 0.5197757767752831
Energy: 0.5208633452896108
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Energy: 0.521325638532479
Energy: 0.5083146640901207
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Energy: 0.512654197745619
Energy: 0.521325638532479

minimum gb energy = 0.4942517020993686 eV
minimum distance =  2.4924876437852 Angstroms
sigma value = 401


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

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Energy: 0.5219313385323983
Energy: 0.5084320225473129
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Energy: 0.5115043063435328
Energy: 0.5018131464356425
Energy: 0.5104719185596308
Energy: 0.5098908718525341
Energy: 0.514795384550533
Energy: 0.5018131464359268
Energy: 0.5104719185596308
Energy: 0.5098908718528185
Energy: 0.5025769392502968
Energy: 0.5120607435961287
Energy: 0.5278254917845255
Energy: 0.521849296749026
Energy: 0.5025769392505811
Energy: 0.5120607435961287
Energy: 0.5278254917845255
Energy: 0.5027655528742102
Energy: 0.5380030889645318
Energy: 0.5298889046415027
Energy: 0.5222889871853452
Energy: 0.502765552873926
Energy: 0.5380030889645318
Energy: 0.529888904641787
Energy: 0.5025988695220713
Energy: 0.5305980219874143
Energy: 0.5189354144888718
Energy: 0.5220300780628218
Energy: 0.5025988695220713
Energy: 0.5305980219874143
Energy: 0.5189354144888718
Energy: 0.5023362724896583
Energy: 0.5216717479703984
Energy: 0.5442922117679384
Energy: 0.5324338855319571
Energy: 0.5023362724896583
Energy: 0.5216717479703984
Energy: 0.5442922117679384
Energy: 0.5060459958094535
Energy: 0.5194133236935279
Energy: 0.5190061987035715
Energy: 0.5245320153708697
Energy: 0.5060459958091691
Energy: 0.5194133236935279
Energy: 0.5190061987035715
Energy: 0.5104975502333431
Energy: 0.5219313385321139
Energy: 0.5084320225475972
Energy: 0.5239442706074232
Energy: 0.5104975502333431
Energy: 0.5219313385321139
Energy: 0.5084320225473129
Energy: 0.5039188217466112
Energy: 0.531992434362927
Energy: 0.5238096880511296
Energy: 0.5222909512897497
Energy: 0.5039188217466112
Energy: 0.531992434362927
Energy: 0.5238096880511296

minimum gb energy = 0.5016297424732229 eV
minimum distance =  2.48644914312959 Angstroms
sigma value = 311


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

Energy: 0.5569286488830384
Energy: 0.5205812354867776
Energy: 0.545084655093352
Energy: 0.5123485057674136
Energy: 0.5569286488830384
Energy: 0.5205812354867776
Energy: 0.5462057970806069
Energy: 0.5647448691515083
Energy: 0.5121302583267486
Energy: 0.5359342432743589
Energy: 0.5346238376692409
Energy: 0.5647448691515083
Energy: 0.512130258324122
Energy: 0.5359342432743589
Energy: 0.5199620606943884
Energy: 0.5184468244015533
Energy: 0.5368108586865893
Energy: 0.5179003869360587
Energy: 0.5199620606943884
Energy: 0.518446824401225
Energy: 0.5350700155655026
Energy: 0.5154753844075328
Energy: 0.5347331006610383
Energy: 0.5417169740019596
Energy: 0.5148810548184596
Energy: 0.5154753844075328
Energy: 0.5347331006610383
Energy: 0.5417169740019596
Energy: 0.5243935860682232
Energy: 0.5171307568666548
Energy: 0.5485863969414265
Energy: 0.500106354432043
Energy: 0.5243935860682232
Energy: 0.5171307568666548
Energy: 0.5529635584356236
Energy: 0.5189500086665465
Energy: 0.5235480189994712
Energy: 0.5246201301384086
Energy: 0.5142942807663483
Energy: 0.5189500086665465
Energy: 0.5235480189994712
Energy: 0.5246201301384086
Energy: 0.5290293489987384
Energy: 0.5199105307122094
Energy: 0.5119544594665815
Energy: 0.5255748263769963
Energy: 0.5290293489987384
Energy: 0.5199105307122094
Energy: 0.5119544594665815
Energy: 0.5153944563015039
Energy: 0.5165024632224208
Energy: 0.5363715953964302
Energy: 0.5257683855087939
Energy: 0.5153944563015039
Energy: 0.5165024632224208
Energy: 0.5363715953964302
Energy: 0.5334149541067208
Energy: 0.5286093222390148
Energy: 0.5316757480845087
Energy: 0.51649109484502
Energy: 0.5334149541067208
Energy: 0.5286093222390148
Energy: 0.5316757480845087
Energy: 0.5172948133243003
Energy: 0.5229784660012983
Energy: 0.5639068004313903
Energy: 0.5146158655571917
Energy: 0.5172948133243003
Energy: 0.5229784660012983
Energy: 0.5639068004317186
Energy: 0.5442620905312694
Energy: 0.5362354457342782
Energy: 0.5513546864833063
Energy: 0.5100325432693358
Energy: 0.5442620905312694
Energy: 0.5362354457346066
Energy: 0.5513546864833063
Energy: 0.522727877818164
Energy: 0.5290266553281595
Energy: 0.5404184176810022
Energy: 0.5311118379864671
Energy: 0.522727877818164
Energy: 0.5290266553284879
Energy: 0.5404184176810022
Energy: 0.5333850859390905
Energy: 0.5169214465905628
Energy: 0.5429198515036393
Energy: 0.5245625539955839
Energy: 0.5333850859390905
Energy: 0.5169214465905628
Energy: 0.5429198515036393
Energy: 0.5186494758765728
Energy: 0.5105099377519159
Energy: 0.5495044494832008
Energy: 0.5211407558827773
Energy: 0.5186494758762444
Energy: 0.5105099377519159
Energy: 0.5495044494835292
Energy: 0.5334475852268786
Energy: 0.5255937613612637
Energy: 0.5373821513834105
Energy: 0.5193529871780911
Energy: 0.5334475852268786
Energy: 0.5255937613612637
Energy: 0.5373821513834105
Energy: 0.532246686933386
Energy: 0.5311616510932792
Energy: 0.5393457416094974
Energy: 0.5337747332716054
Energy: 0.532246686933386
Energy: 0.5311616510932792
Energy: 0.5393457416094974
Energy: 0.5513251486944907
Energy: 0.5180320038007085
Energy: 0.5382868105715806
Energy: 0.5247222220257061
Energy: 0.5513251486944907
Energy: 0.5180320038007085
Energy: 0.5382868105715806
Energy: 0.5180227247611491
Energy: 0.5147443498797482
Energy: 0.5407193295629342
Energy: 0.5228610457193582
Energy: 0.5180227247614774
Energy: 0.5147443498797482
Energy: 0.5407193295629342
Energy: 0.5219872123718061
Energy: 0.5166962723385857
Energy: 0.5427283212182539
Energy: 0.5189063421356127
Energy: 0.5219872123718061
Energy: 0.5166962723385857
Energy: 0.5427283212182539
Energy: 0.5154286540087377
Energy: 0.5215758710641013
Energy: 0.5420483016578526
Energy: 0.5166816592009786
Energy: 0.5154286540087377
Energy: 0.5215758710641013
Energy: 0.5420483016578526
Energy: 0.5258693852662037
Energy: 0.5258833947958561
Energy: 0.5260565426932375
Energy: 0.5196602732928765
Energy: 0.5258693852662037
Energy: 0.5258833947958561
Energy: 0.5260565426935658
Energy: 0.5150194932474983
Energy: 0.5267851445318847
Energy: 0.5293975969584569
Energy: 0.5138588586526096
Energy: 0.5150194932474983
Energy: 0.5267851445318847
Energy: 0.5293975969584569
Energy: 0.5646561588037262
Energy: 0.5000988060699727
Energy: 0.5169560515786128
Energy: 0.5168654495911019
Energy: 0.5646561588037262
Energy: 0.5000988060699727
Energy: 0.5169560515786128
Energy: 0.5344608840916798
Energy: 0.5052585377415981
Energy: 0.5547006406277478
Energy: 0.5300836253445854
Energy: 0.5344608840916798
Energy: 0.5052585377412698
Energy: 0.5547006406277478
Energy: 0.5197701315771639
Energy: 0.5163212076571232
Energy: 0.5294416167280065
Energy: 0.536863863633071
Energy: 0.5197701315768356
Energy: 0.5163212076571232
Energy: 0.5294416167276782
Energy: 0.5331071918353197
Energy: 0.5433733415722786
Energy: 0.5254938884947293
Energy: 0.512089330753953
Energy: 0.5331071918353197
Energy: 0.5433733415722786
Energy: 0.5254938884947293
Energy: 0.5433042959540499
Energy: 0.5123897463347616
Energy: 0.5413495006928007
Energy: 0.5123202162067537
Energy: 0.5433042959540499
Energy: 0.5123897463347616
Energy: 0.5413495006928007
Energy: 0.5449734939019488
Energy: 0.5364149375199921
Energy: 0.5328582944030953
Energy: 0.5263687035031814
Energy: 0.5449734939019488
Energy: 0.5364149375199921
Energy: 0.5328582944030953
Energy: 0.5207529002204424
Energy: 0.514712285189078
Energy: 0.5376192273090342
Energy: 0.5161086953661225
Energy: 0.5207529002204424
Energy: 0.5147122851887497
Energy: 0.5376192273087058
Energy: 0.5194277916328738
Energy: 0.5198099576510278
Energy: 0.5438856114974614
Energy: 0.504513764016514
Energy: 0.5194277916328738
Energy: 0.5198099576510278
Energy: 0.5438856114974614
Energy: 0.5337184559491364
Energy: 0.516930594462354
Energy: 0.5479619832778115
Energy: 0.523716052152583
Energy: 0.5337184559491364
Energy: 0.516930594462354
Energy: 0.5479619832778115
Energy: 0.5150805825291599
Energy: 0.5299095786431378
Energy: 0.5310630006705825
Energy: 0.5215670203859764
Energy: 0.5150805825291599
Energy: 0.5299095786431378
Energy: 0.5310630006705825
Energy: 0.5258767009450109
Energy: 0.52329412075486
Energy: 0.5365860788659381
Energy: 0.5239350151046973
Energy: 0.5258767009450109
Energy: 0.52329412075486
Energy: 0.5365860788659381
Energy: 0.5152933269077511
Energy: 0.5165762867735166
Energy: 0.5361216518124684
Energy: 0.522779799066304
Energy: 0.5152933269077511
Energy: 0.5165762867735166
Energy: 0.5361216518127967
Energy: 0.54392742053364
Energy: 0.5189229714370099
Energy: 0.5483662968237274
Energy: 0.5219876730819576
Energy: 0.54392742053364
Energy: 0.5189229714370099
Energy: 0.5483662968237274
Energy: 0.5173301716530848
Energy: 0.523176610416898
Energy: 0.561452550732048
Energy: 0.5146518980096402
Energy: 0.5173301716530848
Energy: 0.523176610416898
Energy: 0.561452550732048

minimum gb energy = 0.5000988060699727 eV
minimum distance =  2.51912760743435 Angstroms
sigma value = 39


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

Energy: 0.5145598597542975
Energy: 0.5261950063630991
Energy: 0.5408627317051872
Energy: 0.5262769021556754
Energy: 0.5145598597542975
Energy: 0.5261950063630991
Energy: 0.5394921750102896
Energy: 0.508669534002694
Energy: 0.5127607635656277
Energy: 0.4716593677056239
Energy: 0.5133048137658862
Energy: 0.508669534002694
Energy: 0.5127607635656277
Energy: 0.4716593677056239
Energy: 0.5145060295745199
Energy: 0.48035418288720305
Energy: 0.5121246418398921
Energy: 0.5159826135489811
Energy: 0.5145060295745199
Energy: 0.48035418288720305
Energy: 0.514842200298239
Energy: 0.5113601497776757
Energy: 0.5333103241617204
Energy: 0.4715251609584271
Energy: 0.5132243165290248
Energy: 0.5113601497776757
Energy: 0.5333103241617204
Energy: 0.4715251609584271
Energy: 0.5401496239104991
Energy: 0.5153658333743529
Energy: 0.5333094151486526
Energy: 0.5153532744587314
Energy: 0.5401496239120491
Energy: 0.5153658333743529
Energy: 0.5335601419915124
Energy: 0.5113589461502969
Energy: 0.5153972350411464
Energy: 0.5563293042134775
Energy: 0.5126086898079879
Energy: 0.5113589461499094
Energy: 0.5153972350411464
Energy: 0.5563293042134775
Energy: 0.5736383393884862
Energy: 0.5153024702964341
Energy: 0.522005048102064
Energy: 0.5156187255523318
Energy: 0.5736383393884862
Energy: 0.5153024702964341
Energy: 0.5143856884246413
Energy: 0.5139656341091084
Energy: 0.47805258170718257
Energy: 0.5710066976263135
Energy: 0.4780664357663644
Energy: 0.5139656341091084
Energy: 0.4780525817067951
Energy: 0.5710066976263135
Energy: 0.5741026952058946
Energy: 0.5155221531603321
Energy: 0.5159957882744508
Energy: 0.5153140810872429
Energy: 0.5741026952058946
Energy: 0.5155221531603321
Energy: 0.5067692122013805
Energy: 0.5113599793295528
Energy: 0.5126323215444019
Energy: 0.5561270542769511
Energy: 0.5153619450521987
Energy: 0.5113599793295528
Energy: 0.5126323215444019
Energy: 0.5561270542769511
Energy: 0.5403458952904318
Energy: 0.5152237485774741
Energy: 0.48983804546019327
Energy: 0.5154330297229917
Energy: 0.5403458952904318
Energy: 0.5152237485774741
Energy: 0.47423858586881434
Energy: 0.5113885963145803
Energy: 0.5132094623972423
Energy: 0.4714743683252834
Energy: 0.5118218117420079
Energy: 0.5113885963145803
Energy: 0.5132094623972423
Energy: 0.4714743683252834
Energy: 0.5146244083137747
Energy: 0.515270114014802
Energy: 0.5154830481344117
Energy: 0.4803492882859653
Energy: 0.5146244083137747
Energy: 0.515270114014802
Energy: 0.5230632452009835
Energy: 0.5087282677708065
Energy: 0.5128447720722047
Energy: 0.47172938972129036
Energy: 0.512636117302651
Energy: 0.5087282677708065
Energy: 0.5128447720722047
Energy: 0.47172938972129036
Energy: 0.5145598597542975
Energy: 0.5261950063630991
Energy: 0.5413200778448529
Energy: 0.5262769021556754
Energy: 0.5145598597542975
Energy: 0.5261950063630991
Energy: 0.5413200778448529
Energy: 0.508669534002694
Energy: 0.5127607635656277
Energy: 0.4716593677056239
Energy: 0.5133048137654987
Energy: 0.508669534002694
Energy: 0.5127607635656277
Energy: 0.4716593677056239
Energy: 0.5145060295745199
Energy: 0.4803541828868156
Energy: 0.514842200298239
Energy: 0.5159826135485935
Energy: 0.5145060295745199
Energy: 0.4803541828868156
Energy: 0.514842200298239
Energy: 0.5113601497776757
Energy: 0.5333103241617204
Energy: 0.4715251609584271
Energy: 0.5132243165290248
Energy: 0.5113601497776757
Energy: 0.5333103241617204
Energy: 0.4715251609584271
Energy: 0.5401496239116615
Energy: 0.5153658333743529
Energy: 0.5333094151486526
Energy: 0.5153532744583438
Energy: 0.5401496239124365
Energy: 0.5153658333743529
Energy: 0.5333094151486526
Energy: 0.5113589461499094
Energy: 0.5153972350411464
Energy: 0.5563293042134775
Energy: 0.5126086898079879
Energy: 0.5113589461499094
Energy: 0.5153972350411464
Energy: 0.5563293042134775
Energy: 0.5736383393880987
Energy: 0.5153024702964341
Energy: 0.503487377978905
Energy: 0.5156187255523318
Energy: 0.5736383393880987
Energy: 0.5153024702964341
Energy: 0.503487377978905
Energy: 0.5139656341091084
Energy: 0.47805258170718257
Energy: 0.5710066976263135
Energy: 0.4780664357663644
Energy: 0.5139656341091084
Energy: 0.4780525817067951
Energy: 0.5710066976263135
Energy: 0.5741026952058946
Energy: 0.5155221531603321
Energy: 0.5067692122013805
Energy: 0.5153140810872429
Energy: 0.5741026952058946
Energy: 0.5155221531603321
Energy: 0.5067692122013805
Energy: 0.5113599793299402
Energy: 0.5126323215447893
Energy: 0.5561270542769511
Energy: 0.5153619450521987
Energy: 0.5113599793295528
Energy: 0.5126323215444019
Energy: 0.5561270542769511
Energy: 0.5403458952904318
Energy: 0.5152237485774741
Energy: 0.47423858587152684
Energy: 0.5154330297229917
Energy: 0.5403458952904318
Energy: 0.5152237485774741
Energy: 0.4742385858711393
Energy: 0.5113885963141929
Energy: 0.5132094623972423
Energy: 0.4714743683252834
Energy: 0.511821811741233
Energy: 0.5113885963141929
Energy: 0.5132094623972423
Energy: 0.4714743683252834
Energy: 0.5146244083137747
Energy: 0.5152701140151896
Energy: 0.5134646668383994
Energy: 0.4803492882859653
Energy: 0.5146244083137747
Energy: 0.5152701140151896
Energy: 0.5134646668383994
Energy: 0.5087282677708065
Energy: 0.5128447720722047
Energy: 0.47172938972129036
Energy: 0.512636117302651
Energy: 0.5087282677708065
Energy: 0.5128447720722047
Energy: 0.47172938972129036
Energy: 0.5145598597542975
Energy: 0.5261950063630991
Energy: 0.5413200778448529
Energy: 0.5262769021552879
Energy: 0.5145598597542975
Energy: 0.5261950063630991
Energy: 0.5413200778448529
Energy: 0.508669534002694
Energy: 0.5127607635656277
Energy: 0.4716593677052364
Energy: 0.5133048137654987
Energy: 0.508669534002694
Energy: 0.5127607635656277
Energy: 0.4716593677056239

minimum gb energy = 0.4714743683252834 eV
minimum distance =  2.55372438348261 Angstroms
sigma value = 21


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

Energy: 0.540003603120465
Energy: 0.570845210968135
Energy: 0.5138554378846233
Energy: 0.5708775134263706
Energy: 0.540003603120465
Energy: 0.570845210968135
Energy: 0.5237615521989823
Energy: 0.5425948937412416
Energy: 0.5080827608959009
Energy: 0.5029050920153175
Energy: 0.5079499026902039
Energy: 0.5425948937412416
Energy: 0.5080827608959009
Energy: 0.5029050920153175
Energy: 0.5401103994136726
Energy: 0.4987667455309684
Energy: 0.5083906202350547
Energy: 0.5117461055708843
Energy: 0.5401103994136726
Energy: 0.4987667455309684
Energy: 0.49756265266861144
Energy: 0.5405189484867968
Energy: 0.5113318324107504
Energy: 0.4960072864621071
Energy: 0.5077131945100811
Energy: 0.5405189484867968
Energy: 0.5113318324107504
Energy: 0.4960072864621071
Energy: 0.5162813362321973
Energy: 0.48937568875288423
Energy: 0.5170175526750352
Energy: 0.5184818739637309
Energy: 0.5162813362321973
Energy: 0.48937568875241383
Energy: 0.5170175526750352
Energy: 0.5404617103843481
Energy: 0.491833949430312
Energy: 0.5273423755501793
Energy: 0.507929605448707
Energy: 0.5404617103843481
Energy: 0.491833949430312
Energy: 0.527342375549709
Energy: 0.5391522972363995
Energy: 0.4891319873616806
Energy: 0.5170188544490325
Energy: 0.5179160491940443
Energy: 0.5391522972363995
Energy: 0.4891319873616806
Energy: 0.5068924289267782
Energy: 0.5277444467655301
Energy: 0.5121996605737547
Energy: 0.5249901531300368
Energy: 0.5081012135299349
Energy: 0.5277444467655301
Energy: 0.5121996605737547
Energy: 0.5249901531300368
Energy: 0.5392487992892336
Energy: 0.5087885168557744
Energy: 0.5228374629901609
Energy: 0.5192209883003863
Energy: 0.5392487992892336
Energy: 0.5087885168557744
Energy: 0.5203022790787554
Energy: 0.5231035662567555
Energy: 0.5178017524233445
Energy: 0.4854219232880615
Energy: 0.5089452223746812
Energy: 0.5231035662567555
Energy: 0.5178017524233445
Energy: 0.4854219232880615
Energy: 0.5433791098738917
Energy: 0.5108631042013695
Energy: 0.5210266768507568
Energy: 0.5103525205659005
Energy: 0.5433791098738917
Energy: 0.5108631042013695
Energy: 0.5210266768507568
Energy: 0.48506399029998415
Energy: 0.5170897812048355
Energy: 0.49050897006421096
Energy: 0.4896267338305843
Energy: 0.48506399029951375
Energy: 0.5170897812048355
Energy: 0.49050897006421096
Energy: 0.5431536069773827
Energy: 0.510614653296907
Energy: 0.5230329284839281
Energy: 0.5080725036829741
Energy: 0.5431536069773827
Energy: 0.5106146532973774
Energy: 0.5230329284839281
Energy: 0.4851991783964592
Energy: 0.5166696035389164
Energy: 0.5247414444830855
Energy: 0.4899439179412767
Energy: 0.4851991783964592
Energy: 0.5166696035389164
Energy: 0.5247414444830855
Energy: 0.5385851218342093
Energy: 0.4925702434798543
Energy: 0.5077572046278448
Energy: 0.5080098744456985
Energy: 0.5385851218342093
Energy: 0.4925702434803247
Energy: 0.5077572046278448
Energy: 0.4854290325217993
Energy: 0.5301458827873594
Energy: 0.5115021699093747
Energy: 0.5169814762943274
Energy: 0.4854290325217993
Energy: 0.5301458827873594
Energy: 0.5115021699093747
Energy: 0.5388176948719549
Energy: 0.4926308742654354
Energy: 0.5309491094817869
Energy: 0.5089460887262801
Energy: 0.5388176948719549
Energy: 0.4926308742654354
Energy: 0.5309491094817869
Energy: 0.4854287627296194
Energy: 0.516620730217396
Energy: 0.5156702773947596
Energy: 0.5428306440047249
Energy: 0.4854287627296194
Energy: 0.516620730217396
Energy: 0.5156702773947596
Energy: 0.539600344117371
Energy: 0.4925986441533697
Energy: 0.5387601936070586
Energy: 0.5089812200498411
Energy: 0.539600344117371
Energy: 0.4925986441533697
Energy: 0.5387601936070586
Energy: 0.48528528333060705
Energy: 0.5376746586601325
Energy: 0.5070206963128916
Energy: 0.5376932945393255
Energy: 0.48528528333060705
Energy: 0.5376746586601325
Energy: 0.5070206963128916
Energy: 0.5397596956490824
Energy: 0.5090455151952821
Energy: 0.5388137319016054
Energy: 0.4926615572972075
Energy: 0.5397596956490824
Energy: 0.5090455151952821
Energy: 0.5388137319016054
Energy: 0.4854166656046372
Energy: 0.5425692159734176
Energy: 0.5156739708493773
Energy: 0.5165674518907578
Energy: 0.4854166656046372
Energy: 0.5425692159734176
Energy: 0.5156739708493773
Energy: 0.5389095195771717
Energy: 0.5089096841197797
Energy: 0.5310555394666591
Energy: 0.49272297234008783
Energy: 0.5389095195771717
Energy: 0.5089096841197797
Energy: 0.5310555394666591
Energy: 0.4854178230506442
Energy: 0.5167872961374458
Energy: 0.5115670131455013
Energy: 0.5301103873390597
Energy: 0.4854178230506442
Energy: 0.5167872961374458
Energy: 0.5115670131455013
Energy: 0.5385478726282799
Energy: 0.5080039928149175
Energy: 0.5370031081237707
Energy: 0.49252931761704816
Energy: 0.5385478726282799
Energy: 0.5080039928149175
Energy: 0.5370031081242412

minimum gb energy = 0.48506399029951375 eV
minimum distance =  2.54597675536887 Angstroms
sigma value = 113


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

Energy: 0.5018849242138745
Energy: 0.5369766365057554
Energy: 0.514279846465211
Energy: 0.5357060551169633
Energy: 0.5018849242133494
Energy: 0.536976636505517
Energy: 0.514279846465211
Energy: 0.5303028742452629
Energy: 0.5191276694551364
Energy: 0.4729830983050958
Energy: 0.5384758402018988
Energy: 0.5303028742452629
Energy: 0.5191276694551364
Energy: 0.47298309830457075
Energy: 0.506062881612524
Energy: 0.5193302263670402
Energy: 0.4980321386095324
Energy: 0.5051579113023992
Energy: 0.506062881612524
Energy: 0.5193302263672789
Energy: 0.4980321386095324
Energy: 0.4919450260878841
Energy: 0.5213376874019882
Energy: 0.48156275938398585
Energy: 0.5198202158224416
Energy: 0.4919450260878841
Energy: 0.5213376874022269
Energy: 0.48156275939052523
Energy: 0.4891168828234901
Energy: 0.47871501122079624
Energy: 0.5151993258563247
Energy: 0.4969242772533946
Energy: 0.4891168828234901
Energy: 0.47871501122079624
Energy: 0.5151993258563247
Energy: 0.4803631019475057
Energy: 0.5123205283174297
Energy: 0.5070073381854124
Energy: 0.4921158441055121
Energy: 0.4803631019475057
Energy: 0.5123205283171433
Energy: 0.5070073381854124
Energy: 0.4863622940774688
Energy: 0.4798250301635953
Energy: 0.5182708905193439
Energy: 0.4806264738713809
Energy: 0.4863622940774688
Energy: 0.4798250301635953
Energy: 0.5182708905193439
Energy: 0.4803119997058123
Energy: 0.49910018100255965
Energy: 0.5197506174084988
Energy: 0.49441154543160215
Energy: 0.4803119997058123
Energy: 0.49910018100255965
Energy: 0.5197506174087375
Energy: 0.484034260880448
Energy: 0.4893902986529133
Energy: 0.5198413739480641
Energy: 0.47893017719533504
Energy: 0.484034260880448
Energy: 0.4893902986529133
Energy: 0.5198413739480641
Energy: 0.4798139262111748
Energy: 0.49476426176069027
Energy: 0.5020781568587485
Energy: 0.4925805680385138
Energy: 0.4798139262114135
Energy: 0.49476426176045163
Energy: 0.5020781568590348
Energy: 0.48427991114293445
Energy: 0.4930339713759132
Energy: 0.5044171505573599
Energy: 0.48579078387815805
Energy: 0.48427991114293445
Energy: 0.49303397137619964
Energy: 0.5044171505573599
Energy: 0.48462451109730154
Energy: 0.500368657730759
Energy: 0.5002831648953238
Energy: 0.4924341927495578
Energy: 0.4846245110975879
Energy: 0.500368657730759
Energy: 0.5002831648953238
Energy: 0.484518822929785
Energy: 0.5005406839410809
Energy: 0.5002036996022567
Energy: 0.49231028763103285
Energy: 0.484518822929785
Energy: 0.5005406839410809
Energy: 0.500203699602018
Energy: 0.4916894461396676
Energy: 0.5064466114411256
Energy: 0.49298955604509104
Energy: 0.5031378648041197
Energy: 0.49168944613995397
Energy: 0.5064466114411256
Energy: 0.4929895560435158
Energy: 0.48449700862366574
Energy: 0.4952822758188936
Energy: 0.5203379284974908
Energy: 0.5160758067883952
Energy: 0.48449700862366574
Energy: 0.49528227581918005
Energy: 0.5203379284917629
Energy: 0.49190114359711606
Energy: 0.5004669071306818
Energy: 0.49158250293517375
Energy: 0.49702483341931974
Energy: 0.49190114359735476
Energy: 0.5004669071306818
Energy: 0.4915825029349351
Energy: 0.49285871720554836
Energy: 0.4977858729238924
Energy: 0.5223181635120735
Energy: 0.49060976419136687
Energy: 0.4928587172047846
Energy: 0.4977858729238924
Energy: 0.5223181635120735
Energy: 0.4847353132408183
Energy: 0.4837599199073945
Energy: 0.5304113850726839
Energy: 0.49292240611139787
Energy: 0.4847353132411047
Energy: 0.4837599199073945
Energy: 0.5304113850724453
Energy: 0.49323647582385394
Energy: 0.4941647825837208
Energy: 0.48802469470002846
Energy: 0.48909615750895147
Energy: 0.4932364758246654
Energy: 0.4941647825837208
Energy: 0.48802469470002846
Energy: 0.480498999165018
Energy: 0.4859095810238986
Energy: 0.49437443213556487
Energy: 0.4823215316140623
Energy: 0.480498999165018
Energy: 0.4859095810238986
Energy: 0.49437443213556487
Energy: 0.4881592432135243
Energy: 0.48250192018504245
Energy: 0.5143345885969436
Energy: 0.49428187212213864
Energy: 0.4881592432135243
Energy: 0.48250192018532884
Energy: 0.5143345885880175
Energy: 0.4805080932794104
Energy: 0.48540719115702324
Energy: 0.5159498499604057
Energy: 0.48363675517038307
Energy: 0.4805080932794104
Energy: 0.48540719115702324
Energy: 0.5159498499601192
Energy: 0.4886605637012531
Energy: 0.49543019666881716
Energy: 0.5179513702203787
Energy: 0.5195410353369634
Energy: 0.4886605637014918
Energy: 0.49543019666881716
Energy: 0.5179513702200923
Energy: 0.48159497793334255
Energy: 0.4913069953794757
Energy: 0.5210480381707052
Energy: 0.4874540741118831
Energy: 0.481594977933629
Energy: 0.4913069953794757
Energy: 0.5210480381709439
Energy: 0.5077018171588745
Energy: 0.5166709472929305
Energy: 0.48971089511009663
Energy: 0.550023690306987
Energy: 0.5077018171588745
Energy: 0.5166709472929305
Energy: 0.48971089511009663
Energy: 0.49020324815193117
Energy: 0.5291839433316873
Energy: 0.5255175205891799
Energy: 0.4898013578401945
Energy: 0.49020324815193117
Energy: 0.5291839433316873
Energy: 0.5255175205888936
Energy: 0.5485526247977524
Energy: 0.5160441347901736
Energy: 0.49001930224513246
Energy: 0.5680613287463216
Energy: 0.548552624797466
Energy: 0.5160441347901736
Energy: 0.4900193022440823
Energy: 0.5071496440628279
Energy: 0.5435239847678628
Energy: 0.5123518591265245
Energy: 0.5196002591088996
Energy: 0.5071496440628279
Energy: 0.5435239847678628
Energy: 0.5123518591270497
Energy: 0.5488649052657157
Energy: 0.5163309783045058
Energy: 0.4812263696667511
Energy: 0.5701422700601189
Energy: 0.5488649052657157
Energy: 0.5163309783045058
Energy: 0.4812263698903334
Energy: 0.49040433717125903
Energy: 0.5300165885218068
Energy: 0.5089948149580825
Energy: 0.49220980805897685
Energy: 0.49040433717125903
Energy: 0.5300165885215681
Energy: 0.5089948149580825
Energy: 0.5058159336441925
Energy: 0.5163678865841711
Energy: 0.5003147650435469
Energy: 0.5463316742228368
Energy: 0.5058159336441925
Energy: 0.5163678865841711
Energy: 0.5003147650435469
Energy: 0.4954936803559535
Energy: 0.4911642571718886
Energy: 0.4888375014980579
Energy: 0.50496249394651
Energy: 0.4954936803559535
Energy: 0.4911642571718886
Energy: 0.4888375014980579
Energy: 0.4962337529097879
Energy: 0.5029210601054939
Energy: 0.5051276224509575
Energy: 0.5141215436461362
Energy: 0.4962337529097879
Energy: 0.5029210601052552
Energy: 0.5051276224511962
Energy: 0.4999935004308908
Energy: 0.49215179759897903
Energy: 0.5053614186236036
Energy: 0.48787104575588186
Energy: 0.4999935004308908
Energy: 0.49215179759897903
Energy: 0.5053614186236036
Energy: 0.4923782908942534
Energy: 0.4895298751599889
Energy: 0.5259889430020099
Energy: 0.5180160581333398
Energy: 0.4923782908940147
Energy: 0.4895298751599889
Energy: 0.5259889430017235
Energy: 0.500344877634874
Energy: 0.4897468109302159
Energy: 0.5079282067064743
Energy: 0.4890281447645772
Energy: 0.500344877634874
Energy: 0.4897468109305023
Energy: 0.5079282067064743
Energy: 0.49261175234395327
Energy: 0.5000133854398154
Energy: 0.5039395841628926
Energy: 0.51578657034244
Energy: 0.4926117523436669
Energy: 0.5000133854398154
Energy: 0.5039395841626062
Energy: 0.5005643118911484
Energy: 0.48858104444802525
Energy: 0.506342765503789
Energy: 0.49537765723741367
Energy: 0.5005643118914348
Energy: 0.48858104444802525
Energy: 0.506342765503789
Energy: 0.5099302173262754
Energy: 0.5135837334310066
Energy: 0.5202035022387932
Energy: 0.5136886843421035
Energy: 0.5099302173262754
Energy: 0.5135837334310066
Energy: 0.5202035022387932
Energy: 0.5002113265070878
Energy: 0.5046922127217888
Energy: 0.526829301810797
Energy: 0.49923011904246134
Energy: 0.5002113265070878
Energy: 0.5046922127220274
Energy: 0.526829301810797
Energy: 0.5146780233715933
Energy: 0.5124564202598484
Energy: 0.5204379116421105
Energy: 0.5206000247661201
Energy: 0.5146780233715933
Energy: 0.5124564202598484
Energy: 0.5204379116421105
Energy: 0.5002534575405069
Energy: 0.49919595360345026
Energy: 0.5535632737772914
Energy: 0.49807756144173576
Energy: 0.5002534575405069
Energy: 0.49919595360373664
Energy: 0.5535632737770527
Energy: 0.4918586518109673
Energy: 0.5203836298692572
Energy: 0.49523740489067614
Energy: 0.5266287061906145
Energy: 0.49185865181230387
Energy: 0.5203836298689709
Energy: 0.49523740489067614
Energy: 0.5009416048430703
Energy: 0.502708784215225
Energy: 0.523127980542451
Energy: 0.49305906362181096
Energy: 0.5009416048430703
Energy: 0.5027087842154637
Energy: 0.5231279805419261
Energy: 0.4852502400905902
Energy: 0.5129032304475458
Energy: 0.49926541528219787
Energy: 0.5190694436627589
Energy: 0.4852502400905902
Energy: 0.5129032304475458
Energy: 0.49926541528243656

minimum gb energy = 0.47298309830457075 eV
minimum distance =  2.54215117493659 Angstroms
sigma value = 365


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

Energy: 0.47381527265668416
Energy: 0.42244637238159577
Energy: 0.348531319865141
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.48182270643094266
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.5416975860391026
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.5264996401834818
Energy: 0.47381527265668416
Energy: 0.42244637238159577
Energy: 0.3753306377684844
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.47475304709386995
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.48960408640150455
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.49629208370269373
Energy: 0.47381527265668416
Energy: 0.42244637238159577
Energy: 0.5144827883112534
Energy: 0.42244637238159577
Energy: 0.47381527265668416
Energy: 0.42244637238159577
Energy: 0.47475304709327804
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4760561014132984
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4879108361085825
Energy: 0.47381527265668416
Energy: 0.42244637238159577
Energy: 0.4935393778724482
Energy: 0.42244637238159577
Energy: 0.47381527265668416
Energy: 0.42244637238159577
Energy: 0.49629208370269373
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.47475304709327804
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.47475304709386995
Energy: 0.47381527265668416
Energy: 0.42244637238159577
Energy: 0.48203973240256714
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238100385
Energy: 0.4820397324001995
Energy: 0.4738152726560923
Energy: 0.42244637238100385
Energy: 0.3931723812147112
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4907295347402089
Energy: 0.47381527265668416
Energy: 0.42244637238159577
Energy: 0.4486060251775295
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.48903621188650337
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251769376
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251775295
Energy: 0.47381527265668416
Energy: 0.42244637238159577
Energy: 0.4486060251775295
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251769376
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251769376
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251775295
Energy: 0.47381527265668416
Energy: 0.42244637238100385
Energy: 0.4486060251769376
Energy: 0.42244637238159577
Energy: 0.47381527265668416
Energy: 0.42244637238159577
Energy: 0.4486060251769376
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251775295
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251769376
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251775295
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251775295
Energy: 0.4738152726560923
Energy: 0.42244637238100385
Energy: 0.4486060251775295
Energy: 0.42244637238159577
Energy: 0.47381527265668416
Energy: 0.42244637238159577
Energy: 0.4486060251769376
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251769376
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251769376
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251769376
Energy: 0.42244637238159577
Energy: 0.4738152726560923
Energy: 0.42244637238159577
Energy: 0.4486060251775295

minimum gb energy = 0.348531319865141 eV
minimum distance =  2.65143078073255 Angstroms
sigma value = 23