Model name: model_name=Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.066269248723984
cohesive_energy=3.355673813773726
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: -0.2295957814206009
Energy: 0.9275329186714083
Energy: 0.9275329186736933
Energy: -0.22959578142174333
Energy: 0.9275329186748357
Energy: 0.9275329186725508
Energy: -0.2295957814194584
Energy: 0.9275329186725508
Energy: 0.9275329186748357
Energy: -0.2295957814228858
Energy: 0.927985684259375
Energy: -0.22897721841188337
Energy: 0.2761148220159232
Energy: 0.9279856842582325
Energy: -0.22897721840845597
Energy: 0.2761148220159232
Energy: 0.9279856842548051
Energy: -0.22897721840959845
Energy: 0.27611482201820814
Energy: 0.9279856842559475
Energy: -0.04870160035256387
Energy: -0.00280157335183916
Energy: -0.11707997976018587
Energy: 0.2122899108055183
Energy: 0.3067438218909073
Energy: -0.22840897303386218
Energy: 0.04522415352497545
Energy: 0.34600574682775126
Energy: -0.2284089730361471
Energy: 0.04521653051918583
Energy: 0.92798568425709
Energy: 0.2761148220170656
Energy: -0.22897721840959845
Energy: 0.9279856842582325
Energy: 0.2761148220159232
Energy: -0.22897721840845597
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Energy: 0.2761148220170656
Energy: -0.2289772184107409
Energy: 0.9279856842525203
Energy: -0.2295957814206009
Energy: 0.9275329186714083
Energy: 0.9275329186725508
Energy: -0.2295957814206009
Energy: 0.9275329186736933
Energy: 0.9275329186725508
Energy: -0.22959578142174333
Energy: 0.9275329186725508
Energy: 0.9275329186736933
Energy: -0.2295957814228858
Energy: 0.927985684259375
Energy: -0.2289772184107409
Energy: 0.2761148220170656
Energy: 0.9279856842582325
Energy: -0.22897721840845597
Energy: 0.2761148220170656
Energy: 0.9279856842559475
Energy: -0.22897721840845597
Energy: 0.27611482201820814
Energy: 0.9279856842559475
Energy: 0.04521832338480877
Energy: -0.2284089730327197
Energy: 0.24571268140395228
Energy: 0.045221440245815266
Energy: -0.11707997976018587
Energy: -0.0010817912624830786
Energy: 0.04521243281645568
Energy: 0.11422511567787132
Energy: -0.11707997975790094
Energy: 0.04520759806324208

minimum gb energy = -0.2295957814228858 eV
minimum distance =  2.61020906704907 Angstroms
sigma value = 3


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

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Energy: 0.47715782369250803
Energy: 0.3901089392432131
Energy: 0.326017341602503
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Energy: 0.47715782368775067
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Energy: 0.27787435000705074
Energy: 0.3256806979239478
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Energy: 0.32568069792758586
Energy: 0.3404266312668812
Energy: 0.2778743500067709
Energy: 0.32568069792366794
Energy: 0.34042663126995953
Energy: 0.3312242843197047
Energy: 0.3713101265997994
Energy: 0.3723875493355525
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Energy: 0.37131012659868
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Energy: 0.3723875493431084
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Energy: 0.36308227760459516
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Energy: 0.3630822775981587
Energy: 0.2443022699266529
Energy: 0.39672309678812917
Energy: 0.36308227760403544
Energy: 0.24430226993616774
Energy: 0.3967230967870098

minimum gb energy = 0.19572588290231716 eV
minimum distance =  2.39788742610165 Angstroms
sigma value = 75


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

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minimum gb energy = 0.389611562684227 eV
minimum distance =  2.34548515356152 Angstroms
sigma value = 105


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

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Energy: 0.507180105696484
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Energy: 0.5206261829318393
Energy: 0.5071801056924786
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Energy: 0.520626182933856
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Energy: 0.5129073861283894
Energy: 0.5206261829281421
Energy: 0.5071801056960078
Energy: 0.5149339640281342
Energy: 0.5026379614064098
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Energy: 0.5149339640267617
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Energy: 0.5149339640249131
Energy: 0.50263796140134
Energy: 0.4903462313140696
Energy: 0.5149339640324476
Energy: 0.5663921558294642
Energy: 0.5018581311203851
Energy: 0.5570580256186984
Energy: 0.5663921558311448
Energy: 0.501812612747109
Energy: 0.5570580256213312
Energy: 0.5663921558342258
Energy: 0.5018581311149793
Energy: 0.5570580256287258
Energy: 0.5663921558252909
Energy: 0.4982066932904612
Energy: 0.4957060976168756
Energy: 0.4869794667170856
Energy: 0.49820669329306605
Energy: 0.4957060976130384
Energy: 0.4869794667058539
Energy: 0.498206693295839
Energy: 0.49570609761704376
Energy: 0.48697946671109166
Energy: 0.4982066932907694
Energy: 0.5025633029360562
Energy: 0.5036830079348213
Energy: 0.4985629260271659
Energy: 0.5025633029425265
Energy: 0.5031409885621216
Energy: 0.49856292602302055
Energy: 0.5025633029337315
Energy: 0.5036830079374263
Energy: 0.4985629260224044
Energy: 0.5025633029434508
Energy: 0.4958421159463437
Energy: 0.5143051445727745
Energy: 0.5304611730845421
Energy: 0.49584211594497124
Energy: 0.514273979223182
Energy: 0.5304611730813211
Energy: 0.49584211594480315
Energy: 0.514305144574007
Energy: 0.530461173077624
Energy: 0.49584211594527927
Energy: 0.5289429788922425
Energy: 0.5037175835529363
Energy: 0.5303933469259058
Energy: 0.5289429788825233
Energy: 0.5037029916403282
Energy: 0.5303933469262139
Energy: 0.5289429788868367
Energy: 0.5037175835500234
Energy: 0.5303933469269702
Energy: 0.5289429788885451

minimum gb energy = 0.4751593538074648 eV
minimum distance =  2.38772932710023 Angstroms
sigma value = 165


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

Energy: 0.41875726889121156
Energy: 0.43611899132001547
Energy: 0.4408214246868893
Energy: 0.3989493664955508
Energy: 0.43611899132054427
Energy: 0.4408214246810718
Energy: 0.4187572688906827
Energy: 0.4361189913247752
Energy: 0.4408214246816007
Energy: 0.3989493664966085
Energy: 0.4832302607073042
Energy: 0.42166742158479736
Energy: 0.4667697586937569
Energy: 0.4832302607036022
Energy: 0.4216674215826819
Energy: 0.4667697586948147
Energy: 0.4832302607030733
Energy: 0.4216674215805665
Energy: 0.46676975869640125
Energy: 0.48323026070465985
Energy: 0.40899066725461836
Energy: 0.41579169517464715
Energy: 0.37275006548764344
Energy: 0.4089906672530318
Energy: 0.41579169517993586
Energy: 0.372574662209834
Energy: 0.4089906672525029
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Energy: 0.37275006549081663
Energy: 0.40899066725461836
Energy: 0.47278634269254943
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Energy: 0.48338186816257844
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Energy: 0.5884869315486747
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Energy: 0.4261540405813525
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Energy: 0.44037236627290716
Energy: 0.40948004196480603
Energy: 0.3907515786999996
Energy: 0.44037236626870024
Energy: 0.4261540405781793
Energy: 0.42699423167718686
Energy: 0.4759582629144716
Energy: 0.40500333041094383
Energy: 0.4417798246451929
Energy: 0.47595826291764476
Energy: 0.40500333041094383
Energy: 0.44177982464466414
Energy: 0.475958262912885
Energy: 0.4050033304151747
Energy: 0.4417798246457218
Energy: 0.475958262912885
Energy: 0.42694321378833267
Energy: 0.4471921748236073
Energy: 0.4338776374473297
Energy: 0.42694321378780375
Energy: 0.4471921748236073
Energy: 0.43387763744680086
Energy: 0.426943213786746
Energy: 0.44719217482572277
Energy: 0.4338776374483874
Energy: 0.426943213786746
Energy: 0.44819620840021257
Energy: 0.47726800278268805
Energy: 0.42672823041723823
Energy: 0.4481962083965105
Energy: 0.4772680027795148
Energy: 0.42672823042305574
Energy: 0.4481962083991548
Energy: 0.4772680027821592
Energy: 0.4267282304214692
Energy: 0.44819620840074137
Energy: 0.3989493664976662
Energy: 0.4361189913189577
Energy: 0.44082142468583163
Energy: 0.39894936649343543
Energy: 0.43611899132265974
Energy: 0.44082142468318725
Energy: 0.3989493664918488
Energy: 0.4361189913268906
Energy: 0.4408214246816007
Energy: 0.3989493664981951

minimum gb energy = 0.372574662209834 eV
minimum distance =  2.50608673829432 Angstroms
sigma value = 41


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

Energy: 0.33453773000916587
Energy: 0.3330874226648665
Energy: 0.3330993107785336
Energy: 0.33453773001390397
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Energy: 0.30041489405915195
Energy: 0.31016925777738913
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Energy: 0.3925198787232152
Energy: 0.3349699871230118
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Energy: 0.36195236706003514
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Energy: 0.33496998712834686
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Energy: 0.3348240103637153
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Energy: 0.3348240103520006
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Energy: 0.28589075276031284
Energy: 0.2715649927267217
Energy: 0.3306617915347153
Energy: 0.28589075275643283
Energy: 0.2715649927156412
Energy: 0.2761234499824344
Energy: 0.2977680103287611
Energy: 0.29747155310499307
Energy: 0.2761234499686677
Energy: 0.29776801033842387
Energy: 0.29747155309842693
Energy: 0.276123449973182
Energy: 0.2977680103334992
Energy: 0.29747155310189655
Energy: 0.27612344996374305
Energy: 0.42548054599950874
Energy: 0.27486974063391334
Energy: 0.28404599992419466
Energy: 0.425480545994808
Energy: 0.27486974063473407
Energy: 0.28404599991557655
Energy: 0.4254805460032023
Energy: 0.27486974063331643
Energy: 0.28404599991557655
Energy: 0.42548054599909835
Energy: 0.46330334823288966
Energy: 0.2746767520171939
Energy: 0.30512606533323877
Energy: 0.4633033482298304
Energy: 0.2746767520120454
Energy: 0.30512606533305225
Energy: 0.46330334823229274
Energy: 0.2746767520122692
Energy: 0.30512606534002884
Energy: 0.4633033482255027
Energy: 0.3345046981532895
Energy: 0.34039695280094945
Energy: 0.26400461030958716
Energy: 0.3345046981473202
Energy: 0.340396952795204
Energy: 0.2640046103120496
Energy: 0.3345046981528791
Energy: 0.3403969527960247
Energy: 0.26400461031510875
Energy: 0.33450469815452066

minimum gb energy = 0.25511531082174893 eV
minimum distance =  2.43845046077639 Angstroms
sigma value = 185


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

Energy: 0.25989954371869856
Energy: 0.12056703391405223
Energy: 0.12013053528872597
Energy: 0.06707720033347989
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Energy: 0.08937797254541593
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Energy: 0.11545905653637518
Energy: 0.11585590274287062
Energy: 0.26144251424094184
Energy: 0.11990239119011159
Energy: 0.18436073368186795
Energy: 0.12072202489574757
Energy: 0.14160404839335777
Energy: 0.15836294535393416
Energy: 0.12072202488892744
Energy: 0.11990239118743223
Energy: 0.184360733675535
Energy: 0.12072202488503024
Energy: 0.14160404839847288
Energy: 0.138591587098567
Energy: 0.13926859614149448
Energy: 0.11858040356520595
Energy: 0.06423714334981825
Energy: 0.06459615920753924
Energy: 0.11858040356301376
Energy: 0.13859158710514352
Energy: 0.13926859613808443
Energy: 0.11858040356447522
Energy: 0.0642371433495747
Energy: 0.20048009270167627
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Energy: 0.11943609182364404
Energy: 0.20048009270167627
Energy: 0.282973814149509
Energy: 0.1194360918180418
Energy: 0.17555594873497601

minimum gb energy = 0.06420117310797882 eV
minimum distance =  2.54090616595018 Angstroms
sigma value = 33


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

Energy: 0.33266077792277454
Energy: 0.37649364462176027
Energy: 0.3764569285223823
Energy: 0.33266077791876303
Energy: 0.3764936446284461
Energy: 0.37645692851970797
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Energy: 0.389090512079804
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Energy: 0.37909057043158007
Energy: 0.32575439681112583
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Energy: 0.43202030186487755
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Energy: 0.29417645781187024

minimum gb energy = 0.28145652476779986 eV
minimum distance =  2.35643081192309 Angstroms
sigma value = 219


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

Energy: 0.4085862217024096
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Energy: 0.48907257249696473
Energy: 0.41508496105057613
Energy: 0.4476646141038319
Energy: 0.48907257249519487
Energy: 0.415084961052346

minimum gb energy = 0.3791689873862621 eV
minimum distance =  2.45257821436909 Angstroms
sigma value = 15


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

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minimum gb energy = 0.22593578203606077 eV
minimum distance =  2.33574171175309 Angstroms
sigma value = 293


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

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Energy: 0.457654315055552
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Energy: 0.3895476477039445
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Energy: 0.3904169603487909
Energy: 0.46867472611052574
Energy: 0.40685550000127974
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Energy: 0.5652079329890084
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Energy: 0.38369150146591496
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Energy: 0.3912246240491302
Energy: 0.3836915014627349
Energy: 0.4354742710849374
Energy: 0.4441827142184587
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Energy: 0.40849158959242926
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Energy: 0.4115890589745714
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Energy: 0.4217750054135104
Energy: 0.45765431505755083
Energy: 0.4238423318875396
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Energy: 0.4576543150557519
Energy: 0.4238423318933365
Energy: 0.42177387783368264
Energy: 0.4576543150597497
Energy: 0.4238423318959169
Energy: 0.4217739877151286
Energy: 0.39041696035238893
Energy: 0.38954764777228906
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Energy: 0.3904169603493906
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Energy: 0.3895476477758872
Energy: 0.4132137936623978
Energy: 0.39041696034839113
Energy: 0.46867472611032585
Energy: 0.4068555000046779
Energy: 0.4068704909026582
Energy: 0.46867472611052574
Energy: 0.40685550000068016
Energy: 0.4068704909058564
Energy: 0.4686747261169223
Energy: 0.40685550000287896
Energy: 0.40687049089945987
Energy: 0.46867472610932637
Energy: 0.3904481716175264
Energy: 0.4133601887386942
Energy: 0.4595381639807215
Energy: 0.3904481716175264
Energy: 0.4133601887390941
Energy: 0.4595381639807215
Energy: 0.3904481716189256
Energy: 0.41336018873251584
Energy: 0.45953816399211533
Energy: 0.39044817161432815
Energy: 0.4216869964405672
Energy: 0.4240264796586579
Energy: 0.43683332913302697
Energy: 0.42168546350552283
Energy: 0.4240264796642549
Energy: 0.4368333291356256
Energy: 0.42168559214041534
Energy: 0.4240264796558777
Energy: 0.4368333291382242
Energy: 0.421684508708296
Energy: 0.5140548382077144
Energy: 0.4116053861442353
Energy: 0.39097251663106064
Energy: 0.514054838202917
Energy: 0.41160531719746796
Energy: 0.39097251662466415
Energy: 0.5140548382039164
Energy: 0.4116053861044751
Energy: 0.3909725166366576
Energy: 0.5140548382037166
Energy: 0.40854330182399073
Energy: 0.5652079324311671
Energy: 0.39136485399013277
Energy: 0.4085433018245904
Energy: 0.5652079328371639
Energy: 0.3913648539893332
Energy: 0.4085433018245904
Energy: 0.5652079327310762
Energy: 0.39136485399033266
Energy: 0.4085433018259897

minimum gb energy = 0.38369150146073594 eV
minimum distance =  2.34076076434406 Angstroms
sigma value = 293


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

Energy: 0.40779993965589717
Energy: 0.4062132105448292
Energy: 0.40634557279898725
Energy: 0.4077999396624002
Energy: 0.40621321054661924
Energy: 0.406345572798626
Energy: 0.40779993965987127
Energy: 0.40621321054734183
Energy: 0.4063455727993485
Energy: 0.4077999396624002
Energy: 0.40541365156143166
Energy: 0.40802074505548913
Energy: 0.40609856455705257
Energy: 0.40541365156215425
Energy: 0.40802074505187635
Energy: 0.4060985645541623
Energy: 0.40541365156251546
Energy: 0.4080207450511538
Energy: 0.40609856455885895
Energy: 0.40541365156576703
Energy: 0.40564834008899164
Energy: 0.40575050592894873
Energy: 0.46415680354075867
Energy: 0.40564834008899164
Energy: 0.4057505059256972
Energy: 0.4641568035429264
Energy: 0.4056483400897142
Energy: 0.4057505059264198
Energy: 0.46415680354075867
Energy: 0.40564834009079803
Energy: 0.4641425512687327
Energy: 0.40572435528737316
Energy: 0.4057543773602882
Energy: 0.46414255126548115
Energy: 0.40572435529315365
Energy: 0.4057543773606495
Energy: 0.464142551266565
Energy: 0.4057243552902634
Energy: 0.40575437735741443
Energy: 0.4641425512676488
Energy: 0.40612268587062633
Energy: 0.40805632892292204
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Energy: 0.40805632892834126
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Energy: 0.4077999396605938
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Energy: 0.406345572798626
Energy: 0.4077999396613164
Energy: 0.40621321054591303
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Energy: 0.4060985645584977
Energy: 0.40541365156179293
Energy: 0.4080207450533215
Energy: 0.4060985645559687
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Energy: 0.4080207450525989
Energy: 0.4060985645577751
Energy: 0.40541365156504444
Energy: 0.4080207450500699
Energy: 0.40575050593039386
Energy: 0.46415680353859096
Energy: 0.40564834008899164
Energy: 0.4057505059246133
Energy: 0.4641568035389523
Energy: 0.40564834009007544
Energy: 0.4057505059246133
Energy: 0.46415680353643973
Energy: 0.40564834008790773
Energy: 0.4057505059282262
Energy: 0.40572435528484424
Energy: 0.4057543773592208
Energy: 0.46414255127090037
Energy: 0.40572435529134726
Energy: 0.40575437736281716
Energy: 0.464142551266565
Energy: 0.4057243552927924
Energy: 0.40575437735813696
Energy: 0.4641425512687327
Energy: 0.405724355290986
Energy: 0.408056328925451
Energy: 0.40540908326905145
Energy: 0.40612268587171024
Energy: 0.40805632892725746
Energy: 0.4054090832744542
Energy: 0.40612268586739125
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Energy: 0.40540908326977393
Energy: 0.4061226858684751
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Energy: 0.4077999396555359
Energy: 0.40621321054555176
Energy: 0.4063455727993485
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Energy: 0.40634557279826466
Energy: 0.40779993965914874
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Energy: 0.40609856455669124
Energy: 0.4054136515628768
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Energy: 0.4080207450529602
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Energy: 0.4054136515643219
Energy: 0.40802074505043123
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Energy: 0.46415680354075867
Energy: 0.4057543773602882
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Energy: 0.4057543773606495
Energy: 0.46414255126801013
Energy: 0.40572435529387624
Energy: 0.4057543773595821
Energy: 0.4641425512687327
Energy: 0.40572435529496004
Energy: 0.4057543773577757
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Energy: 0.40612268586919764
Energy: 0.40805632892508975
Energy: 0.4054090832737316
Energy: 0.4061226858663074
Energy: 0.40805632892798
Energy: 0.40540908327156394
Energy: 0.40612268586919764
Energy: 0.4080563289265349
Energy: 0.40540908326796754
Energy: 0.40779993965625844
Energy: 0.40621321054555176
Energy: 0.4063455727979034
Energy: 0.4077999396634841
Energy: 0.40621321054878695
Energy: 0.40634557279898725
Energy: 0.4077999396587874
Energy: 0.40621321054555176
Energy: 0.40634557279826466
Energy: 0.4077999396613164
Energy: 0.4054136515635993
Energy: 0.40802074505585045
Energy: 0.4060985645559687
Energy: 0.40541365156143166
Energy: 0.4080207450522377
Energy: 0.40609856455343973
Energy: 0.4054136515628768
Energy: 0.4080207450515151
Energy: 0.4060985645592202
Energy: 0.4054136515654057
Energy: 0.4056483400911593
Energy: 0.40575050592967127
Energy: 0.4641568035436489
Energy: 0.4056483400897142
Energy: 0.4057505059275036
Energy: 0.46415680353931354
Energy: 0.4056483400904367
Energy: 0.4057505059267811
Energy: 0.4641568035389523
Energy: 0.4056483400886303
Energy: 0.46414255126945525
Energy: 0.40572435528665063
Energy: 0.4057543773595821
Energy: 0.4641425512651199
Energy: 0.4057243552927924
Energy: 0.4057543773610108
Energy: 0.4641425512651199
Energy: 0.4057243552924311
Energy: 0.4057543773606495
Energy: 0.4641425512683714
Energy: 0.40612268587207145
Energy: 0.40805632892292204
Energy: 0.4054090832694127
Energy: 0.40612268586413974
Energy: 0.4080563289287026
Energy: 0.4054090832744542
Energy: 0.4061226858695425
Energy: 0.40805632892508975
Energy: 0.40540908327048014
Energy: 0.4061226858688364
Energy: 0.4062132105444679
Energy: 0.4063455727993485
Energy: 0.4077999396605938
Energy: 0.40621321054627435
Energy: 0.4063455727993485
Energy: 0.407799939662039
Energy: 0.40621321054193893
Energy: 0.40634557279718087
Energy: 0.4077999396624002
Energy: 0.40621321054661924
Energy: 0.40802074505404407
Energy: 0.40609856455669124
Energy: 0.40541365156107034
Energy: 0.4080207450529602
Energy: 0.4060985645556074
Energy: 0.40541365156143166
Energy: 0.4080207450529602
Energy: 0.4060985645584977
Energy: 0.4054136515661283
Energy: 0.4080207450500699

minimum gb energy = 0.40540908326796754 eV
minimum distance =  2.47589712968206 Angstroms
sigma value = 15


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

Energy: 0.40331959831411013
Energy: 0.46744667710832377
Energy: 0.4249254125778606
Energy: 0.38575165421565183
Energy: 0.46744667709685994
Energy: 0.4249254125958454
Energy: 0.40331959831411013
Energy: 0.46744667710341065
Energy: 0.42492541260403377
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Energy: 0.4847302041899713
Energy: 0.3527469351795076
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Energy: 0.48473020418342055
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Energy: 0.38477277688888484
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Energy: 0.3343462035725668
Energy: 0.4334051572392724
Energy: 0.4119630825051714
Energy: 0.33435506177473645
Energy: 0.4334051572458231
Energy: 0.4119630825051714
Energy: 0.334346203566016
Energy: 0.4334051572507363
Energy: 0.411963082501896
Energy: 0.3835955948703492
Energy: 0.3436084863281447
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Energy: 0.44126499208452385
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Energy: 0.454637085448364
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Energy: 0.3675547088224077
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Energy: 0.44651285379473804
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Energy: 0.3891296204308882
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Energy: 0.41471711381094856
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Energy: 0.3534029319111515
Energy: 0.3649804311027106
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Energy: 0.3649804310945222
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Energy: 0.3473475907394652
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Energy: 0.42629484270160845
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Energy: 0.36635793079804224
Energy: 0.42130312537304243
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Energy: 0.3876849554020191
Energy: 0.39181194938175284
Energy: 0.41125298576428587
Energy: 0.3229306134317969
Energy: 0.4073759936597941
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Energy: 0.4112529857724743
Energy: 0.37703707644851303
Energy: 0.5358105789443921
Energy: 0.37653936232917024
Energy: 0.37703707644523765
Energy: 0.5358105789378413
Energy: 0.37653936233572094
Energy: 0.3770370764501507
Energy: 0.5358105789411167
Energy: 0.3765393623324456
Energy: 0.37703707644851303
Energy: 0.44100813431090274
Energy: 0.33696232394198383
Energy: 0.5216248617324052
Energy: 0.44100813429943897
Energy: 0.3369425348256913
Energy: 0.5216248617340428
Energy: 0.44100813430435204
Energy: 0.3369623239337954
Energy: 0.5216248617242167
Energy: 0.44100813430435204
Energy: 0.40247226866408464
Energy: 0.36259297289680914
Energy: 0.42691639034185913
Energy: 0.4024722686591716
Energy: 0.3625929729066353
Energy: 0.42691639034349677
Energy: 0.40247226866244695
Energy: 0.36259297289680914
Energy: 0.4269163903385837
Energy: 0.4024722686608093
Energy: 0.41580298077509437
Energy: 0.36537082416878236
Energy: 0.3667174376987936
Energy: 0.415802980781645
Energy: 0.36537082417042005
Energy: 0.36617382678691257
Energy: 0.41580298077509437
Energy: 0.3653708241720577
Energy: 0.3667174376955183
Energy: 0.4158029807800074
Energy: 0.3217970362632325
Energy: 0.3563928990742479
Energy: 0.4118993350174507
Energy: 0.32179703626650785
Energy: 0.3563928990758856
Energy: 0.4118993350141753
Energy: 0.3217970362615949
Energy: 0.356392899079161
Energy: 0.4118993350141753
Energy: 0.3217970362615949
Energy: 0.38535394704564957
Energy: 0.4162755765762229
Energy: 0.41094850624751195
Energy: 0.3678467678259634
Energy: 0.4162755765762229
Energy: 0.41094850623604817
Energy: 0.38535394704564957
Energy: 0.41627557657458514
Energy: 0.4109485062409612
Energy: 0.36784676781452946

minimum gb energy = 0.3207664943732265 eV
minimum distance =  2.39222258500852 Angstroms
sigma value = 437


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

Energy: 0.36297391239881577
Energy: 0.4567704577671304
Energy: 0.4562845457229644
Energy: 0.36297391239821913
Energy: 0.4567704577635505
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Energy: 0.36297391240000904
Energy: 0.4567704577683236
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Energy: 0.36297391239881577
Energy: 0.436004898699629
Energy: 0.3533570335828874
Energy: 0.35873821886528406
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Energy: 0.43600489870079506
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Energy: 0.30838059228468445
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Energy: 0.39123223985568883
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Energy: 0.391520197989831
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Energy: 0.3915201979916209
Energy: 0.3375661344579409
Energy: 0.30806808288548704
Energy: 0.3915201979910243
Energy: 0.3750155861429142
Energy: 0.409477805520835
Energy: 0.36189887859462216
Energy: 0.37501558614589736
Energy: 0.4094778055202385
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Energy: 0.3750155861453007
Energy: 0.4094778055196418
Energy: 0.3618988785922357
Energy: 0.3750155861447041
Energy: 0.4651609466831202
Energy: 0.3578268296388828
Energy: 0.3296635259678412
Energy: 0.4651609466855068
Energy: 0.3578268296358996
Energy: 0.329663525969604
Energy: 0.4651609466849101
Energy: 0.3578268296388828
Energy: 0.32966352596843784
Energy: 0.4651609466861033
Energy: 0.38574563003693946
Energy: 0.3756590212565734
Energy: 0.43783416026773
Energy: 0.3857456300387022
Energy: 0.37565902125717004
Energy: 0.43783416026653665
Energy: 0.38574563003693946
Energy: 0.3756590212583633
Energy: 0.43783416026773
Energy: 0.38574563003693946
Energy: 0.3303809081517091
Energy: 0.3549582252876987
Energy: 0.37387353283598
Energy: 0.3303809081517091
Energy: 0.35495822528948867
Energy: 0.37387353283299685
Energy: 0.33038090814753274
Energy: 0.3504761544900357
Energy: 0.3738735328371733
Energy: 0.33038090814932264
Energy: 0.4329653795216627
Energy: 0.32086416657796246
Energy: 0.45685484433848955
Energy: 0.43296537952106606
Energy: 0.32086416657915573
Energy: 0.45685484433789286
Energy: 0.43296537952643577
Energy: 0.3208641665767692
Energy: 0.45685484433669965
Energy: 0.432965379522856
Energy: 0.3295385544960665
Energy: 0.4778326029307173
Energy: 0.32956292933395187
Energy: 0.32953855449427655
Energy: 0.4778326029331038
Energy: 0.329562929338725
Energy: 0.32953855449487324
Energy: 0.4778326029301206
Energy: 0.3295629293381283
Energy: 0.32953855449666314
Energy: 0.3727233817338852
Energy: 0.320194931011195
Energy: 0.43425323132699506
Energy: 0.37272338173448183
Energy: 0.32019493101298496
Energy: 0.43425323132818827
Energy: 0.3727233817338852
Energy: 0.3201949310105984
Energy: 0.4342532313299782
Energy: 0.37272338173149866

minimum gb energy = 0.3080680828819073 eV
minimum distance =  2.38473490178156 Angstroms
sigma value = 33