Model name: model_name=MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_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=4.044650763273239
cohesive_energy=3.360264280667937
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012708519167521765
Energy: 0.28430032111042625
Energy: 0.39802280572615667
Energy: 0.2841968773025349
Energy: 0.012708519166930849
Energy: 0.2843003211108126
Energy: 0.21576272874363925
Energy: 0.3973274083358689
Energy: 0.01314128566425555
Energy: 0.11423732920719486
Energy: 0.013161902156899026
Energy: 0.397327408335278
Energy: 0.013141285665255565
Energy: 0.11423732920719486
Energy: 0.012708519167521765
Energy: 0.2843003211108126
Energy: 0.4944516019176946
Energy: 0.28419687730273946
Energy: 0.012708519166726301
Energy: 0.2843003211106081
Energy: 0.21576272874363925
Energy: 0.3973274083356644
Energy: 0.01314128566425555
Energy: 0.1142373292073994
Energy: 0.013161902156694478
Energy: 0.397327408335278
Energy: 0.013141285665460113
Energy: 0.11423732920719486
Energy: 0.012708519167521765
Energy: 0.28430032111042625
Energy: 0.21576272874382108
Energy: 0.2841968773025349
Energy: 0.012708519166930849
Energy: 0.2843003211108126
Energy: 0.21576272874263924
Energy: 0.3973274083356644
Energy: 0.01314128566425555
Energy: 0.11423732920719486
Energy: 0.013161902156899026
Energy: 0.3973274083354826
Energy: 0.013141285665460113
Energy: 0.11423732920719486

minimum gb energy = 0.012708519166726301 eV
minimum distance =  2.83315362327086 Angstroms
sigma value = 5


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

Energy: 0.6654791781521142
Energy: 0.68909450507521
Energy: 0.7295446241457471
Energy: 0.6892560738795525
Energy: 0.6654791781570011
Energy: 0.6890945050776534
Energy: 0.7266751243675514
Energy: 0.6412457986942273
Energy: 0.6332642981441411
Energy: 0.6782254963058187
Energy: 0.6336263776140224
Energy: 0.6412457986942273
Energy: 0.6332642981416977
Energy: 0.6782254963033755
Energy: 0.6239451909927649
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Energy: 0.6512980231533548
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Energy: 0.6329521924275673
Energy: 0.7157953728455521
Energy: 0.6584080567146672
Energy: 0.6556833890304387
Energy: 0.6992543393385363
Energy: 0.628024744848525
Energy: 0.6584081425898305
Energy: 0.6556833890353255
Energy: 0.6992543393385363
Energy: 0.6252974804945302
Energy: 0.6243921549928089
Energy: 0.6947588019803158
Energy: 0.6547157309676681
Energy: 0.6252974804920868
Energy: 0.6243921549928089
Energy: 0.7034290636944136
Energy: 0.6508750545064144
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Energy: 0.6267888833338561
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Energy: 0.6597841063480353
Energy: 0.6529137331916512
Energy: 0.6167727600586778
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Energy: 0.6781947450355248
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Energy: 0.6167727600537909
Energy: 0.650505793574061
Energy: 0.6777999570531311
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Energy: 0.6300383729518987
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Energy: 0.6408417290158003
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Energy: 0.6393812638706203
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Energy: 0.6313836720117043
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Energy: 0.701969290083406
Energy: 0.7085770917928782
Energy: 0.6498805105524879
Energy: 0.6828064978465015
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Energy: 0.639630795535881
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Energy: 0.6265858369104808
Energy: 0.6756214639823954
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Energy: 0.6531910742412794
Energy: 0.6333983997578482
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Energy: 0.6556499039867575
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Energy: 0.7183893382669024
Energy: 0.6391537821593948
Energy: 0.651432329087983
Energy: 0.7174015744264753
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Energy: 0.6391537815341445
Energy: 0.6514323290855395
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Energy: 0.6579073662914384
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Energy: 0.6785406841691567
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Energy: 0.67854067492981
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Energy: 0.6260687517858414
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Energy: 0.7189155634888954
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Energy: 0.6798469676930256
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Energy: 0.6627088814690809
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Energy: 0.6798469679788174
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Energy: 0.6360683963885848
Energy: 0.6629808829706417
Energy: 0.6556901654672048
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Energy: 0.6360683963641506
Energy: 0.6629808829657549
Energy: 0.6508139324557201
Energy: 0.6327016376813842
Energy: 0.7150379432037831
Energy: 0.6294563823020684
Energy: 0.6508139324581635
Energy: 0.6327016376838276
Energy: 0.7150379432160002
Energy: 0.6894019656766801
Energy: 0.6392642620010404
Energy: 0.7254654381446617
Energy: 0.6546140670170315
Energy: 0.6894019656742365
Energy: 0.6392642618471933
Energy: 0.7254654381422183
Energy: 0.6415961422861289
Energy: 0.6501120277260514
Energy: 0.6983073817490926
Energy: 0.6694583742655038
Energy: 0.6415961422812421
Energy: 0.650112027723608
Energy: 0.6983073817466492
Energy: 0.6245333920444047
Energy: 0.6430392102809044
Energy: 0.6977766106432336
Energy: 0.6353499541791402
Energy: 0.6245333920468482
Energy: 0.6430392102833478
Energy: 0.697776610645677
Energy: 0.6211702240366311
Energy: 0.6574393942652664
Energy: 0.6919993604029451
Energy: 0.6720209174591395
Energy: 0.6211702240268575
Energy: 0.6574393942554927
Energy: 0.6919993599657496
Energy: 0.6191491035629836
Energy: 0.65587144274801
Energy: 0.6626172909508603
Energy: 0.6213309316709703
Energy: 0.6191491035605402
Energy: 0.65587144274801
Energy: 0.6626172909484169

minimum gb energy = 0.6167727600537909 eV
minimum distance =  2.53528200163128 Angstroms
sigma value = 401


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

Energy: 0.6372535496346847
Energy: 0.6523021390543454
Energy: 0.71088357965853
Energy: 0.6531606215117874
Energy: 0.6372535496341301
Energy: 0.6523021390540429
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Energy: 0.6297968360630078
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Energy: 0.6475917296438319
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Energy: 0.6475821445677459
Energy: 0.6579243213007653
Energy: 0.6444146573181051
Energy: 0.6318230617551018
Energy: 0.6475821445685528
Energy: 0.6556598365304127
Energy: 0.6336083227171695
Energy: 0.6379786302877933
Energy: 0.6950861614447112
Energy: 0.646859870386942
Energy: 0.6336083227174216
Energy: 0.637978630286684
Energy: 0.6950861614460729
Energy: 0.6406234893736243
Energy: 0.6537912563308648
Energy: 0.6868793604372493
Energy: 0.6349457831025599
Energy: 0.640623489374179
Energy: 0.6537912563308648
Energy: 0.6868793604369466
Energy: 0.6424625294890853
Energy: 0.6471488952823324
Energy: 0.6403538334205807
Energy: 0.6351456035870222
Energy: 0.6424625294893375
Energy: 0.6471488952831896
Energy: 0.6403538311190448
Energy: 0.6391892738658044
Energy: 0.631933060428306
Energy: 0.6691056644813319
Energy: 0.652854540901585
Energy: 0.6391892738672162
Energy: 0.6319330604307771
Energy: 0.669105664483551
Energy: 0.6294150772386634
Energy: 0.639107425371869
Energy: 0.6408811398403069
Energy: 0.6358521874455664
Energy: 0.6294150772364446
Energy: 0.6391074253699527
Energy: 0.6408811407308155
Energy: 0.6210977351038773
Energy: 0.6523021390549003
Energy: 0.7108835796577232
Energy: 0.6531606215131994
Energy: 0.6210977351035746
Energy: 0.6523021390549003
Energy: 0.7108835796593872
Energy: 0.6297968360633105
Energy: 0.6799339135099542
Energy: 0.7004685327538009
Energy: 0.6461289888324555
Energy: 0.6297968360641173
Energy: 0.6799339135088448
Energy: 0.7004685327543558

minimum gb energy = 0.6210977351035746 eV
minimum distance =  2.56113657262183 Angstroms
sigma value = 311


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

Energy: 0.6846959661870977
Energy: 0.6598878838265997
Energy: 0.7542907355830828
Energy: 0.6615859399132246
Energy: 0.6846959662824921
Energy: 0.6598872376134579
Energy: 0.7305964513663469
Energy: 0.6883825298334975
Energy: 0.6408352299250002
Energy: 0.6660591216762459
Energy: 0.6562033736895793
Energy: 0.6883825298322165
Energy: 0.64083522992468
Energy: 0.6660591218174229
Energy: 0.6486242466647951
Energy: 0.6686599409729139
Energy: 0.7075513199782488
Energy: 0.6578075978527067
Energy: 0.6486242466654357
Energy: 0.6686599409725936
Energy: 0.6917420914746173
Energy: 0.6491241895540879
Energy: 0.6488279321640228
Energy: 0.6868078120565185
Energy: 0.6318637274795207
Energy: 0.6491241895537677
Energy: 0.6488279321637025
Energy: 0.6868078356508812
Energy: 0.6631526215016936
Energy: 0.6517823077408114
Energy: 0.6950117420923547
Energy: 0.657211500592899
Energy: 0.6631526215589915
Energy: 0.6517823077411316
Energy: 0.6950117417821673
Energy: 0.6618061797751114
Energy: 0.6423782692414999
Energy: 0.6709439162265421
Energy: 0.6330536028002066
Energy: 0.6618061797741506
Energy: 0.6423782692414999
Energy: 0.6709439162374164
Energy: 0.6705469648552871
Energy: 0.6945737606863384
Energy: 0.6642996440409298
Energy: 0.6510150581752996
Energy: 0.6705469648552871
Energy: 0.6945737606866587
Energy: 0.6568477797915476
Energy: 0.6605838851512355
Energy: 0.637462667761594
Energy: 0.7011429918953156
Energy: 0.6403719838065208
Energy: 0.6605838851505947
Energy: 0.6374626677619142
Energy: 0.701142991636661
Energy: 0.6483251939242698
Energy: 0.6362812409321391
Energy: 0.7080788498701086
Energy: 0.6374654542158126
Energy: 0.6483251939249103
Energy: 0.6362812408956293
Energy: 0.708077406911721
Energy: 0.6686133770543159
Energy: 0.6842241471422539
Energy: 0.6966275332765165
Energy: 0.6963260503695909
Energy: 0.6686133770552768
Energy: 0.6842241471406525
Energy: 0.6966275443478406
Energy: 0.679263846787365
Energy: 0.652596371745756
Energy: 0.7258391572202939
Energy: 0.6486502139764415
Energy: 0.679263846787365
Energy: 0.6525963717422331
Energy: 0.7258391453413441
Energy: 0.6804060665257659
Energy: 0.6822506191266692
Energy: 0.6922984198687991
Energy: 0.662366604619814
Energy: 0.680406066524805
Energy: 0.6822506191269895
Energy: 0.6922984198630491
Energy: 0.6679644353936595
Energy: 0.6458439727740648
Energy: 0.6975313007355632
Energy: 0.6502584011293724
Energy: 0.6679644353946202
Energy: 0.6458439727743852
Energy: 0.6975313007349228
Energy: 0.6401683513620664
Energy: 0.6642649522382638
Energy: 0.6726286546255313
Energy: 0.6576838205354555
Energy: 0.6401683513623867
Energy: 0.6642649522379435
Energy: 0.6726286546264921
Energy: 0.6661503208304828
Energy: 0.6456472914896461
Energy: 0.68752738521008
Energy: 0.6323478038721047
Energy: 0.6661503208304828
Energy: 0.6456472914899664
Energy: 0.6875273852091193
Energy: 0.672686225782878
Energy: 0.6633855544595559
Energy: 0.6986654541407042
Energy: 0.6976796659121015
Energy: 0.6726862257831983
Energy: 0.6633855544589154
Energy: 0.6986654522171141
Energy: 0.6892668588303733
Energy: 0.6461891235319632
Energy: 0.7278513867138703
Energy: 0.6403986155896851
Energy: 0.6892668588303733
Energy: 0.6461891235313227
Energy: 0.7278513867193148
Energy: 0.676196951603181
Energy: 0.6963149411186437
Energy: 0.72698113439102
Energy: 0.6558678387704098
Energy: 0.6761969516035014
Energy: 0.6963149411186437
Energy: 0.7269811532120949
Energy: 0.6468196823282237
Energy: 0.6373831263784924
Energy: 0.6867299482245558
Energy: 0.6291245957469901
Energy: 0.6468196823291846
Energy: 0.6373831263788127
Energy: 0.6867298821238303
Energy: 0.6588998276416579
Energy: 0.646980481470236
Energy: 0.7011187524763147
Energy: 0.6376273011850465
Energy: 0.6588998276410174
Energy: 0.6469804814711967
Energy: 0.7011187457922328
Energy: 0.6612047862477596
Energy: 0.6658316075758045
Energy: 0.6798882481015059
Energy: 0.6945784921763242
Energy: 0.6612047862471191
Energy: 0.6658316075786869
Energy: 0.6798882481008653
Energy: 0.6603871728131363
Energy: 0.6334741312144275
Energy: 0.6690969153871525
Energy: 0.6409233731756027
Energy: 0.6603871728140971
Energy: 0.6334741312144275
Energy: 0.6690969154165876
Energy: 0.6879545444154597
Energy: 0.6573334675418442
Energy: 0.681873088369405
Energy: 0.6517048142585601
Energy: 0.6879545444148192
Energy: 0.6573334673488139
Energy: 0.6818730887055044
Energy: 0.6685748591719215
Energy: 0.6318002544800156
Energy: 0.6949050194161339
Energy: 0.6488449601830878
Energy: 0.6685748591728824
Energy: 0.6318002544800156
Energy: 0.6949050194158137
Energy: 0.649114396975955
Energy: 0.6588782013758964
Energy: 0.672418733746321
Energy: 0.6611005127574302
Energy: 0.6491143969807588
Energy: 0.6588782013762167
Energy: 0.6724172117140862
Energy: 0.6931518007132964
Energy: 0.6599160534293569
Energy: 0.667391422978823
Energy: 0.640779673274938
Energy: 0.6931518007136167
Energy: 0.6599160534296771
Energy: 0.6673914229775422
Energy: 0.660720657017758
Energy: 0.660894003109195
Energy: 0.7497497891783225
Energy: 0.6600300590287688
Energy: 0.6607206557212828
Energy: 0.6608940031101558
Energy: 0.7497497894289704
Energy: 0.7038649649814429
Energy: 0.64219987261069
Energy: 0.6791633884859071
Energy: 0.6526153005246081
Energy: 0.7038649649817632
Energy: 0.6421998726100496
Energy: 0.6791633882835895
Energy: 0.6555773647879561
Energy: 0.6649268901856954
Energy: 0.6893490494051275
Energy: 0.6571807354911061
Energy: 0.6555773646445373
Energy: 0.6649268901847347
Energy: 0.6892145332543468
Energy: 0.6452024579315253
Energy: 0.6425639423427928
Energy: 0.6863798040836272
Energy: 0.6318096280244853
Energy: 0.645202458399223
Energy: 0.6425639423424725
Energy: 0.686379804525704
Energy: 0.6676687503966265
Energy: 0.6517661224792531
Energy: 0.6960419837703576
Energy: 0.6644965748453965
Energy: 0.6676687503966265
Energy: 0.6517661224795733
Energy: 0.696043928615948
Energy: 0.6604744342590242
Energy: 0.6467401278269658
Energy: 0.6689886494672226
Energy: 0.6350560179506916
Energy: 0.660474434258704
Energy: 0.6467401278272861
Energy: 0.6689886447768532
Energy: 0.6650255245465606
Energy: 0.6952306807379556
Energy: 0.6754994831313469
Energy: 0.6646072077865455
Energy: 0.6650255245452795
Energy: 0.6952306807341124
Energy: 0.6754994831531247
Energy: 0.6586853786817831
Energy: 0.6379348397793648
Energy: 0.6872834265906974
Energy: 0.6379296218448023
Energy: 0.6586853788520748
Energy: 0.6379348397793648
Energy: 0.687283461065596
Energy: 0.6596219407135682
Energy: 0.6289018788756852
Energy: 0.7329964999004652
Energy: 0.6376048724583832
Energy: 0.6596219407142087
Energy: 0.6289018788756852
Energy: 0.7329964982047845
Energy: 0.6663863064857434
Energy: 0.6740457573616498
Energy: 0.6966074683495656
Energy: 0.6962263829386112
Energy: 0.6663863064867042
Energy: 0.6740457573616498
Energy: 0.696607415946742

minimum gb energy = 0.6289018788756852 eV
minimum distance =  2.53934897565829 Angstroms
sigma value = 39


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

Energy: 0.6592146639150046
Energy: 0.6825081195339374
Energy: 0.6952993182058708
Energy: 0.6829650745346584
Energy: 0.6592146639168944
Energy: 0.6825081195320475
Energy: 0.6909049491370204
Energy: 0.6555478904537733
Energy: 0.6615232131823244
Energy: 0.6213842983987636
Energy: 0.6758705527067536
Energy: 0.6555478904530172
Energy: 0.6615232131830805
Energy: 0.6213842983983857
Energy: 0.6593558722461828
Energy: 0.6246781901190406
Energy: 0.660450382062644
Energy: 0.6403646755194489
Energy: 0.6593558722465608
Energy: 0.6246781901205525
Energy: 0.6587131488644266
Energy: 0.6513117824834521
Energy: 0.6614794607453177
Energy: 0.6488428228120785
Energy: 0.6827619340661166
Energy: 0.6513117824853419
Energy: 0.6614794607464516
Energy: 0.6488428228105667
Energy: 0.6683250447152337
Energy: 0.6389752791471022
Energy: 0.6622094109262003
Energy: 0.6407700370368554
Energy: 0.6683250447144777
Energy: 0.6389752791452122
Energy: 0.6580911795619978
Energy: 0.6514382118572273
Energy: 0.641795667829373
Energy: 0.6611801976854415
Energy: 0.7120705997212604
Energy: 0.6514382118583611
Energy: 0.6417956678289949
Energy: 0.6611801976861974
Energy: 0.7172834041208631
Energy: 0.6397315133745808
Energy: 0.6552156969269015
Energy: 0.640187526817159
Energy: 0.7172834041185954
Energy: 0.6397315133745808
Energy: 0.6552156969257675
Energy: 0.6475344381597495
Energy: 0.6633970518983248
Energy: 0.6823200722514905
Energy: 0.6633788213340479
Energy: 0.6475344381612615
Energy: 0.6633970518983248
Energy: 0.6823200722514905
Energy: 0.7160440003287961
Energy: 0.639395137556588
Energy: 0.6525651386650767
Energy: 0.6397852515290936
Energy: 0.716044000331064
Energy: 0.6393951375558319
Energy: 0.6448473583595057
Energy: 0.6513259172524246
Energy: 0.7086675836068753
Energy: 0.6608600207722194
Energy: 0.638241512421564
Energy: 0.6513259172516687
Energy: 0.7086675836072531
Energy: 0.6608600207733533
Energy: 0.668301629746996
Energy: 0.6411061343026881
Energy: 0.6676288756412502
Energy: 0.6390430306388889
Energy: 0.6683016297447283
Energy: 0.6411061343038219
Energy: 0.7071093909475541
Energy: 0.6513714595917564
Energy: 0.6826843097555033
Energy: 0.6219786515475195
Energy: 0.6614495238978019
Energy: 0.6513714595925122
Energy: 0.6826843097532697
Energy: 0.6219786515471415
Energy: 0.6593067483579381
Energy: 0.6404902386710896
Energy: 0.6689618804876907
Energy: 0.6247241280532762
Energy: 0.65930674836134
Energy: 0.6404902386733574
Energy: 0.6624434057669301
Energy: 0.655702546698714
Energy: 0.6622867396726307
Energy: 0.6216089870331005
Energy: 0.6614849487920231
Energy: 0.6557025466994698
Energy: 0.6622867396726307
Energy: 0.6216089870331005
Energy: 0.6592146639157604
Energy: 0.6825081195346935
Energy: 0.6851045526637553
Energy: 0.6829650745350363
Energy: 0.6592146639161385
Energy: 0.6825081195331815
Energy: 0.7006952117009683
Energy: 0.6555478904533951
Energy: 0.6615232131827025
Energy: 0.6213842983980078
Energy: 0.6758705527097428
Energy: 0.6555478904537733
Energy: 0.6615232131827025
Energy: 0.6213842983987636
Energy: 0.6593558722465608
Energy: 0.6246781901194186
Energy: 0.6587131488655605
Energy: 0.640364675517559
Energy: 0.6593558722469389
Energy: 0.6246781901209304
Energy: 0.6587131488663164
Energy: 0.6513117824838303
Energy: 0.6614794607464516
Energy: 0.6488428228120785
Energy: 0.6827619340661166
Energy: 0.651311782484964
Energy: 0.6614794607460737
Energy: 0.6488428228098106
Energy: 0.6683250447156116
Energy: 0.6389752791471022
Energy: 0.6580911795574622
Energy: 0.6407700370368554
Energy: 0.6683250447152337
Energy: 0.6389752791452122
Energy: 0.6580911795582182
Energy: 0.6514382118572273
Energy: 0.6417956678297508
Energy: 0.6611801976861974
Energy: 0.712070599714835
Energy: 0.6514382118587392
Energy: 0.6417956678286169
Energy: 0.6611801976850635
Energy: 0.7172834041204852
Energy: 0.6397315133742029
Energy: 0.6405881383402228
Energy: 0.6401875268182928
Energy: 0.7172834041185954
Energy: 0.6397315133745808
Energy: 0.6405881383402228
Energy: 0.6475344381593717
Energy: 0.6633970518987027
Energy: 0.6823200722518684
Energy: 0.6633788213332918
Energy: 0.6475344381616394
Energy: 0.6633970518983248
Energy: 0.6823200722518684
Energy: 0.7160440003303081
Energy: 0.6393951375558319
Energy: 0.6447018927878955
Energy: 0.6397852515294715
Energy: 0.7160440003306859
Energy: 0.6393951375550759
Energy: 0.6447018927912971
Energy: 0.6513259172516687
Energy: 0.7086675836038516
Energy: 0.6608600207661719
Energy: 0.6382415124223199
Energy: 0.6513259172516687
Energy: 0.7086675836061195
Energy: 0.6608600207684396
Energy: 0.6683016297477521
Energy: 0.6411061343015543
Energy: 0.6617676927891164
Energy: 0.639043030638133
Energy: 0.6683016297447283
Energy: 0.6411061343038219
Energy: 0.6617676927917622
Energy: 0.6513714595917564
Energy: 0.6826843097536477
Energy: 0.6219786515467636
Energy: 0.6614495238970457
Energy: 0.6513714595921343
Energy: 0.6826843097536477
Energy: 0.6219786515463857
Energy: 0.6593067483586942
Energy: 0.6404902386722234
Energy: 0.6624898310242298
Energy: 0.6247241280540321
Energy: 0.659306748360584
Energy: 0.6404902386729794
Energy: 0.6624898310238518
Energy: 0.6557025466983359
Energy: 0.6622867396730087
Energy: 0.6216089870338565
Energy: 0.6614849487924009
Energy: 0.6557025466994698
Energy: 0.6622867396733867
Energy: 0.6216089870331005
Energy: 0.6592146639153825
Energy: 0.6825081195320475
Energy: 0.6722490778494801
Energy: 0.6829650745339368
Energy: 0.6592146639168944
Energy: 0.6825081195316696
Energy: 0.672249077850992
Energy: 0.6555478904537733
Energy: 0.6615232131823244
Energy: 0.6213842983972517
Energy: 0.6758705527097428
Energy: 0.6555478904530172
Energy: 0.6615232131830805
Energy: 0.6213842983980078

minimum gb energy = 0.6213842983972517 eV
minimum distance =  2.62042422189048 Angstroms
sigma value = 21


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

Energy: 0.670266525032586
Energy: 0.7292582336796333
Energy: 0.6779137657973648
Energy: 0.7289348422416136
Energy: 0.6702665250321271
Energy: 0.7292582336791744
Energy: 0.6649207419602786
Energy: 0.6754202283420787
Energy: 0.6676773042494683
Energy: 0.6442937440506246
Energy: 0.6675616537078978
Energy: 0.6754202283425375
Energy: 0.6676773042494683
Energy: 0.6442937543859577
Energy: 0.6743805736644737
Energy: 0.6638909860325563
Energy: 0.6778287360460457
Energy: 0.6678227318952997
Energy: 0.6743805736644737
Energy: 0.6638909860316384
Energy: 0.677828105073979
Energy: 0.7082585883253281
Energy: 0.6560518252172197
Energy: 0.6662022891360813
Energy: 0.6553135029605733
Energy: 0.7082585884647523
Energy: 0.6560518252172197
Energy: 0.6662022891374576
Energy: 0.6547733946050596
Energy: 0.7368062810121858
Energy: 0.6505177660694814
Energy: 0.6760851527028523
Energy: 0.6547733946050596
Energy: 0.7368062810108092
Energy: 0.6505177660690227
Energy: 0.7073063071573301
Energy: 0.6915209095078088
Energy: 0.7169038918998013
Energy: 0.6614938107844365
Energy: 0.7073063071532005
Energy: 0.6915209095068912
Energy: 0.71690389190026
Energy: 0.653733750504512
Energy: 0.7441219016676132
Energy: 0.6593752003910592
Energy: 0.6655239651532119
Energy: 0.6537337505063474
Energy: 0.7441219016671543
Energy: 0.6495027548316188
Energy: 0.667391475457233
Energy: 0.6748928116702189
Energy: 0.721407762445349
Energy: 0.6590828254046266
Energy: 0.6673914754581506
Energy: 0.6748928116702189
Energy: 0.721407762445349
Energy: 0.6535374854881569
Energy: 0.6622513684767045
Energy: 0.6626800643443411
Energy: 0.7109800729801914
Energy: 0.6535374854872393
Energy: 0.6622513684771634
Energy: 0.6626800643457176
Energy: 0.6498094664835726
Energy: 0.67042687010612
Energy: 0.6537576201950696
Energy: 0.6585942563224978
Energy: 0.6498094664831138
Energy: 0.6704268701065789
Energy: 0.6537576201946107
Energy: 0.7317969865722697
Energy: 0.704974487316579
Energy: 0.6685917856163165
Energy: 0.660323836897195
Energy: 0.7317969865053209
Energy: 0.7049744873174966
Energy: 0.6631718078792413
Energy: 0.6822440512352781
Energy: 0.6500405716879855
Energy: 0.6493074157237052
Energy: 0.6503362370629746
Energy: 0.6822440512357368
Energy: 0.6500405716875267
Energy: 0.6493074157237052
Energy: 0.706744291496749
Energy: 0.6500845260736847
Energy: 0.6552849669887066
Energy: 0.6584988912669534
Energy: 0.7067442915412354
Energy: 0.650084526073226
Energy: 0.655284966987789
Energy: 0.6334166963579162
Energy: 0.6507428421177646
Energy: 0.6522734044360222
Energy: 0.6336264333752138
Energy: 0.633416696358834
Energy: 0.6507428421191411
Energy: 0.6522734044360222
Energy: 0.696682263367901
Energy: 0.6420997299991652
Energy: 0.6420112148014647
Energy: 0.6554366226864874
Energy: 0.6966822633683597
Energy: 0.6420997300000828
Energy: 0.6420112148023824
Energy: 0.6295024922098894
Energy: 0.691667515498807
Energy: 0.6521366617174021
Energy: 0.642860901334135
Energy: 0.6295024922098894
Energy: 0.6916675154965128
Energy: 0.652136661717861
Energy: 0.6970938240504099
Energy: 0.6423625365266152
Energy: 0.6507540412696486
Energy: 0.6553824954315456
Energy: 0.6970938240513276
Energy: 0.6423625365270741
Energy: 0.6507540412701075
Energy: 0.6295029334058403
Energy: 0.6716994592474235
Energy: 0.6584845404292926
Energy: 0.7106078433310282
Energy: 0.6295029334049227
Energy: 0.6716994592465058
Energy: 0.6584845404302102
Energy: 0.6778513798658385
Energy: 0.6423976652903182
Energy: 0.7051413562036367
Energy: 0.6496536990804274
Energy: 0.6778513798658385
Energy: 0.6423976652903182
Energy: 0.7051413562050132
Energy: 0.6297308436372516
Energy: 0.691277094764987
Energy: 0.6424596130906206
Energy: 0.6911722920666956
Energy: 0.6297308436358752
Energy: 0.6912770947654459
Energy: 0.6424596130897029
Energy: 0.6778530528933436
Energy: 0.6491966142931642
Energy: 0.7049378816529354
Energy: 0.6422479415848902
Energy: 0.6778530528928848
Energy: 0.6491966142927055
Energy: 0.7049378816520178
Energy: 0.6295000514330739
Energy: 0.7037336242821104
Energy: 0.6582994496843343
Energy: 0.6717209188839162
Energy: 0.6295000514321561
Energy: 0.7037336242821104
Energy: 0.6582994496843343
Energy: 0.6968357880718995
Energy: 0.6553940300695998
Energy: 0.6506661332583992
Energy: 0.6423687744379988
Energy: 0.6968357880723584
Energy: 0.6553940300695998
Energy: 0.6506661332570227
Energy: 0.6295517390187939
Energy: 0.6428845024970705
Energy: 0.6523766865087907
Energy: 0.6917554617835758
Energy: 0.6295517390174175
Energy: 0.6428845024984471
Energy: 0.6523766865087907
Energy: 0.6972740879769989
Energy: 0.6595097536245578
Energy: 0.6453807447876049
Energy: 0.6421961882534357
Energy: 0.6972740879774578
Energy: 0.6595097536245578
Energy: 0.6453807554242698

minimum gb energy = 0.6295000514321561 eV
minimum distance =  2.58088047901255 Angstroms
sigma value = 113


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

Energy: 0.7224702273074296
Energy: 0.7120570041816938
Energy: 0.6832609306166826
Energy: 0.7095993515297653
Energy: 0.7224702273143205
Energy: 0.7120570041794124
Energy: 0.6832609306166826
Energy: 0.7092821718993577
Energy: 0.6872933988644092
Energy: 0.666801692224662
Energy: 0.6994971803138023
Energy: 0.7092821718981006
Energy: 0.687293398861569
Energy: 0.6668016922141395
Energy: 0.7149034841992545
Energy: 0.6941749904279721
Energy: 0.6972148935810835
Energy: 0.6911067984646325
Energy: 0.7149034841982302
Energy: 0.6941749904295085
Energy: 0.7147591379794681
Energy: 0.6649639969322468
Energy: 0.6920516571630034
Energy: 0.7212219876718752
Energy: 0.675873501701709
Energy: 0.6649639969307104
Energy: 0.6920516571611876
Energy: 0.7212219876869606
Energy: 0.7049504998921908
Energy: 0.6473499797806687
Energy: 0.6744903728825625
Energy: 0.6696146457792737
Energy: 0.7049504998914459
Energy: 0.6473499820940737
Energy: 0.6744903728800017
Energy: 0.6547672778451226
Energy: 0.6966557038189002
Energy: 0.7476294051795545
Energy: 0.6494074813794555
Energy: 0.6547672778397683
Energy: 0.6966557037208922
Energy: 0.747629405184676
Energy: 0.6843105889073345
Energy: 0.648341263458566
Energy: 0.6735331529161117
Energy: 0.6601704014383994
Energy: 0.6843105889147375
Energy: 0.6483411918565255
Energy: 0.6858996790661759
Energy: 0.6532734990704625
Energy: 0.6935928471781823
Energy: 0.7282049162522698
Energy: 0.6588732485489207
Energy: 0.653270659181004
Energy: 0.6935928471771579
Energy: 0.7282049162535268
Energy: 0.64765034734812
Energy: 0.6573906617904458
Energy: 0.7083206915590475
Energy: 0.6604274395948672
Energy: 0.647649966120387
Energy: 0.6573906622097146
Energy: 0.7083206915549503
Energy: 0.6441311264517661
Energy: 0.6704907671266395
Energy: 0.7051554343707697
Energy: 0.6600198379029021
Energy: 0.6441311264517661
Energy: 0.6704907671289674
Energy: 0.7051554343694659
Energy: 0.6920006511139702
Energy: 0.688904520527388
Energy: 0.7242167424864709
Energy: 0.6647309877895795
Energy: 0.6920006511129458
Energy: 0.6889045205253395
Energy: 0.7242167424869831
Energy: 0.6540526717052124
Energy: 0.6687864774645783
Energy: 0.7271923527523775
Energy: 0.6626933066664246
Energy: 0.6540526711589757
Energy: 0.6687864703866403
Energy: 0.7271924309029736
Energy: 0.69033675394261
Energy: 0.667831586391604
Energy: 0.7195291389995291
Energy: 0.6727995961590267
Energy: 0.6903367539434015
Energy: 0.6678315863859704
Energy: 0.7089604761510558
Energy: 0.6921451254715826
Energy: 0.7101631549250267
Energy: 0.7471660627589063
Energy: 0.7039123546540477
Energy: 0.6921451250930067
Energy: 0.7101631549265631
Energy: 0.7471660627599308
Energy: 0.6952755140545128
Energy: 0.6684828999278775
Energy: 0.7405752134134136
Energy: 0.686409126219863
Energy: 0.6952755140573064
Energy: 0.6684828999265738
Energy: 0.728035446384585
Energy: 0.6945679570757289
Energy: 0.6765681020979035
Energy: 0.7173906799813493
Energy: 0.67892434063763
Energy: 0.6945679567964648
Energy: 0.6765681020224305
Energy: 0.7173906799803249
Energy: 0.7048679317890963
Energy: 0.665422019204081
Energy: 0.744416046727536
Energy: 0.6680170903551819
Energy: 0.7048679317890963
Energy: 0.6654220192051052
Energy: 0.744416046727536
Energy: 0.6570970258212335
Energy: 0.6670633775534341
Energy: 0.7131938499211438
Energy: 0.6618924533175623
Energy: 0.657097026047001
Energy: 0.6670633776445513
Energy: 0.7131938499216558
Energy: 0.7049979327663302
Energy: 0.6817128301662666
Energy: 0.7428838423820663
Energy: 0.6880782659049951
Energy: 0.7049979327586477
Energy: 0.6817128301683152
Energy: 0.7428838423805298
Energy: 0.6603576314624133
Energy: 0.6758818908997174
Energy: 0.7107368410870546
Energy: 0.6410375509919416
Energy: 0.6603576317923809
Energy: 0.6758818920292989
Energy: 0.7107368410939453
Energy: 0.6745337003920071
Energy: 0.6450025983864278
Energy: 0.7399412542116721
Energy: 0.6907023729630948
Energy: 0.6745337004355402
Energy: 0.6450025983866605
Energy: 0.7399412542101357
Energy: 0.6623133376524497
Energy: 0.6804250512470931
Energy: 0.6878409150577144
Energy: 0.6531110538121625
Energy: 0.6623133376409495
Energy: 0.6804250742175321
Energy: 0.6878409153410292
Energy: 0.6747156548430516
Energy: 0.6507579455130463
Energy: 0.7466264754010578
Energy: 0.6958272800543331
Energy: 0.6747156539745761
Energy: 0.650757945512022
Energy: 0.7466266536596928
Energy: 0.6797082353322003
Energy: 0.6745325881828385
Energy: 0.700180710721859
Energy: 0.6674415731944968
Energy: 0.6797082353373219
Energy: 0.6745325881828385
Energy: 0.7001807107205552
Energy: 0.6702876225427261
Energy: 0.673344475013075
Energy: 0.6710845902740556
Energy: 0.7220954337257005
Energy: 0.6702875871155094
Energy: 0.6733444750158686
Energy: 0.6710845766335009
Energy: 0.6732257012797356
Energy: 0.7056484997606833
Energy: 0.7159902549205012
Energy: 0.6716376662963229
Energy: 0.6732257012768954
Energy: 0.7056484998095709
Energy: 0.715990254919989
Energy: 0.7039858867561283
Energy: 0.669737545786462
Energy: 0.6578400583507321
Energy: 0.739051270991201
Energy: 0.7039858721019719
Energy: 0.669737545785205
Energy: 0.6578400583586473
Energy: 0.68262465812362
Energy: 0.7275056111601312
Energy: 0.7204588006457046
Energy: 0.709299568147226
Energy: 0.6826246581075103
Energy: 0.7275056111603639
Energy: 0.720458800647986
Energy: 0.7246650195513898
Energy: 0.6701237933980289
Energy: 0.7020328572706196
Energy: 0.7368799846284251
Energy: 0.7246650195537178
Energy: 0.6701237933957475
Energy: 0.7020328572698746
Energy: 0.6705592185300497
Energy: 0.6984922201944006
Energy: 0.7058650805796899
Energy: 0.7059456076418406
Energy: 0.6705592185310739
Energy: 0.6984922192450046
Energy: 0.705865080382836
Energy: 0.6949149703194507
Energy: 0.6737200194028841
Energy: 0.7167064394089163
Energy: 0.7167215150568228
Energy: 0.6949149703220115
Energy: 0.6737200194018598
Energy: 0.7167064393840535
Energy: 0.6677978926662242
Energy: 0.6456199968847807
Energy: 0.6766969491085606
Energy: 0.6742994169688056
Energy: 0.667797892637078
Energy: 0.6456199968852927
Energy: 0.6766969491078156
Energy: 0.6485218899883646
Energy: 0.6664599638193555
Energy: 0.7432414470679097
Energy: 0.6829687834548152
Energy: 0.6485799476447168
Energy: 0.6664599638178189
Energy: 0.743241447065861
Energy: 0.6537353941723856
Energy: 0.6542238664343781
Energy: 0.66962611575916
Energy: 0.651425928814989
Energy: 0.6537353941744343
Energy: 0.6542238664379633
Energy: 0.6696261158674573
Energy: 0.6499150132621918
Energy: 0.6439197102864201
Energy: 0.7296244745613826
Energy: 0.6849005936031565
Energy: 0.6499150132604223
Energy: 0.6439197102897724
Energy: 0.729624474561662
Energy: 0.6462412886362947
Energy: 0.6543654309641579
Energy: 0.6654765800726459
Energy: 0.6486960033382293
Energy: 0.6462412886340134
Energy: 0.6543654309595486
Energy: 0.6654765802730382
Energy: 0.6473226760891405
Energy: 0.6550349830934545
Energy: 0.7066019494417786
Energy: 0.6847724755894733
Energy: 0.6473226760899319
Energy: 0.6550349831026268
Energy: 0.7066019494453636
Energy: 0.6600638158126836
Energy: 0.6473904250543148
Energy: 0.6928994910493439
Energy: 0.6633332717165418
Energy: 0.6600638158152444
Energy: 0.6473904250545941
Energy: 0.6928994910495767
Energy: 0.6640563687658243
Energy: 0.6665081154608209
Energy: 0.7444065563271324
Energy: 0.6849211626274722
Energy: 0.66405636876913
Energy: 0.6665081154784669
Energy: 0.7444065563276446
Energy: 0.6674093624595431
Energy: 0.6772452349908252
Energy: 0.7057143327242476
Energy: 0.6763028862747356
Energy: 0.6674093642630743
Energy: 0.6772452643900688
Energy: 0.7057143327270876
Energy: 0.6866650590487119
Energy: 0.6662190073813898
Energy: 0.734918569648116
Energy: 0.6962289469043732
Energy: 0.6866656504914679
Energy: 0.6662190073808777
Energy: 0.7349185696517011
Energy: 0.6683808612547775
Energy: 0.6686937836195952
Energy: 0.748281799105261
Energy: 0.7020947347220892
Energy: 0.6683808612511924
Energy: 0.6686937836178259
Energy: 0.7482817991252351
Energy: 0.6760616732191381
Energy: 0.6668793489233763
Energy: 0.7241679208254936
Energy: 0.6975817148741091
Energy: 0.6760616699331039
Energy: 0.6668793489226313
Energy: 0.7241679208224208
Energy: 0.6821159008809464
Energy: 0.6721790016364787
Energy: 0.749692237495291
Energy: 0.6653314571085899
Energy: 0.6821159008822035
Energy: 0.6721790031330892
Energy: 0.749692237495291
Energy: 0.6757331795218697
Energy: 0.6732878105348722
Energy: 0.7094021431869386
Energy: 0.6754352272620685
Energy: 0.6757331795259669
Energy: 0.6732878105333358
Energy: 0.7094021431869386

minimum gb energy = 0.6410375509919416 eV
minimum distance =  2.51856313230606 Angstroms
sigma value = 365


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

Energy: 0.6800300446436124
Energy: 0.5225475205015213
Energy: 0.5867638592593698
Energy: 0.522547520500944
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.592291782377268
Energy: 0.6800300446436124
Energy: 0.5225475205020987
Energy: 0.6605317352368558
Energy: 0.5225475205015213
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.592291782377268
Energy: 0.6800300446430351
Energy: 0.522547520502676
Energy: 0.6258652643691877
Energy: 0.522547520500944
Energy: 0.6800300446441898
Energy: 0.5225475205003667
Energy: 0.6160107525838102
Energy: 0.6800300446441898
Energy: 0.5225475205020987
Energy: 0.6066657012386711
Energy: 0.522547520500944
Energy: 0.6800300446436124
Energy: 0.5225475205015213
Energy: 0.5922917823766907
Energy: 0.6800300446436124
Energy: 0.5225475205015213
Energy: 0.6605317352357012
Energy: 0.5225475205015213
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.5922917823766907
Energy: 0.6800300446436124
Energy: 0.5225475205015213
Energy: 0.6168517702401228
Energy: 0.522547520500944
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.5922917823766907
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.5922917823766907
Energy: 0.522547520500944
Energy: 0.6800300446441898
Energy: 0.5225475205020987
Energy: 0.592291782377268
Energy: 0.6800300446430351
Energy: 0.5225475205020987
Energy: 0.6264591125158002
Energy: 0.5225475205015213
Energy: 0.6800300446441898
Energy: 0.5225475205003667
Energy: 0.6264591125163776
Energy: 0.6800300446436124
Energy: 0.5225475205015213
Energy: 0.5922779976695631
Energy: 0.5225475205015213
Energy: 0.6800300446441898
Energy: 0.5225475204997894
Energy: 0.5922917823761132
Energy: 0.6800300446436124
Energy: 0.5225475204997894
Energy: 0.592291782377268
Energy: 0.5225475205015213
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.5922917823761132
Energy: 0.6800300446441898
Energy: 0.5225475205015213
Energy: 0.592291782377268
Energy: 0.5225475205020987
Energy: 0.6800300446430351
Energy: 0.5225475205015213
Energy: 0.5922917823766907
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.5922917823761132
Energy: 0.5225475205015213
Energy: 0.6800300446441898
Energy: 0.5225475204992119
Energy: 0.5922917823766907
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.592291782377268
Energy: 0.5225475205015213
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.592291782377268
Energy: 0.6800300446430351
Energy: 0.522547520500944
Energy: 0.5922917823778454
Energy: 0.5225475205020987
Energy: 0.6800300446436124
Energy: 0.5225475205015213
Energy: 0.592291782377268
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.5922917823761132
Energy: 0.522547520500944
Energy: 0.6800300446441898
Energy: 0.5225475204997894
Energy: 0.5922917823778454
Energy: 0.6800300446441898
Energy: 0.5225475205015213
Energy: 0.592291782377268
Energy: 0.522547520500944
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.5922917823761132
Energy: 0.6800300446441898
Energy: 0.522547520500944
Energy: 0.5922917823766907
Energy: 0.5225475205032535
Energy: 0.6800300446436124
Energy: 0.5225475205020987
Energy: 0.5922917823778454
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.5922917823766907
Energy: 0.5225475205015213
Energy: 0.6800300446441898
Energy: 0.522547520500944
Energy: 0.5922917823766907
Energy: 0.6800300446441898
Energy: 0.5225475205020987
Energy: 0.592291782377268
Energy: 0.5225475205020987
Energy: 0.6800300446436124
Energy: 0.5225475205020987
Energy: 0.5922917823766907
Energy: 0.6800300446436124
Energy: 0.5225475205020987
Energy: 0.592291782377268
Energy: 0.522547520502676
Energy: 0.6800300446436124
Energy: 0.522547520500944
Energy: 0.5922917823766907

minimum gb energy = 0.5225475204992119 eV
minimum distance =  2.6620721062231 Angstroms
sigma value = 23