Model name: model_name=Sim_LAMMPS_MEAM_PascuetFernandez_2015_Al__SM_811588957187_000
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=4.049998886883259
cohesive_energy=3.360254209517774
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: 0.012698947290337494
Energy: 0.3554345777306476
Energy: 0.29665122931456483
Energy: 0.3549367633764067
Energy: 0.012698947290133485
Energy: 0.35543457773085163
Energy: 0.2966512293143835
Energy: 0.4785476881661131
Energy: 0.01295363143518787
Energy: 0.14577146188984602
Energy: 0.013004534291037878
Energy: 0.4785476881663171
Energy: 0.012953631435573222
Energy: 0.14577146188984602
Energy: 0.012698947290337494
Energy: 0.3554345777306476
Energy: 0.29665122931517685
Energy: 0.3549367633765881
Energy: 0.012698947290133485
Energy: 0.3554345777306476
Energy: 0.29665122931456483
Energy: 0.4785476881663171
Energy: 0.012953631435573222
Energy: 0.14577146189005002
Energy: 0.013004534291445895
Energy: 0.4785476881663171
Energy: 0.012953631435573222
Energy: 0.14577146189005002
Energy: 0.012698947290337494
Energy: 0.3554345777306476
Energy: 0.29665122931456483
Energy: 0.3549367633764067
Energy: 0.012698947289929477
Energy: 0.35543457773085163
Energy: 0.29665122931456483
Energy: 0.4785476881663171
Energy: 0.012953631435391879
Energy: 0.14577146189005002
Energy: 0.013004534291445895
Energy: 0.4785476881663171
Energy: 0.012953631435391879
Energy: 0.14577146189025406

minimum gb energy = 0.012698947289929477 eV
minimum distance =  2.84040188715604 Angstroms
sigma value = 5


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

Energy: 0.7094711207844371
Energy: 0.7380415207583949
Energy: 0.8190488967424377
Energy: 0.7700445922921235
Energy: 0.7094711207844371
Energy: 0.7380415207583949
Energy: 0.8100456876801998
Energy: 0.6599540867130431
Energy: 0.6847036994878032
Energy: 0.7649896588800383
Energy: 0.6935298102158932
Energy: 0.6599540867106063
Energy: 0.6847036994829293
Energy: 0.7649896588800383
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Energy: 0.6662123916732858
Energy: 0.6436838318515531
Energy: 0.80291252490679
Energy: 0.6885722208571915
Energy: 0.6942190862801383
Energy: 0.780481902649215
Energy: 0.6511045064716765
Energy: 0.6885722208571915
Energy: 0.6942190862777012
Energy: 0.7804819026467782
Energy: 0.6453280360822541
Energy: 0.6445312324610133
Energy: 0.8227845748902273
Energy: 0.6682453317198062
Energy: 0.645328036079817
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Energy: 0.6974183379824651
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Energy: 0.6428618301289989
Energy: 0.683068242425751
Energy: 0.8224303026057865
Energy: 0.6856117993956415
Energy: 0.6428618301289989
Energy: 0.683068242425751
Energy: 0.8163282493470969
Energy: 0.6673284050557884
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Energy: 0.696920989712524
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Energy: 0.7796691623541914
Energy: 0.6808827266232111
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Energy: 0.6676611675980085
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Energy: 0.7054845258553878
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Energy: 0.678934077879024
Energy: 0.8595898094047459
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Energy: 0.7616565966313155
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Energy: 0.8119640937920284
Energy: 0.7360703558475418
Energy: 0.7118074088766867
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Energy: 0.6708884731610866
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Energy: 0.821367952383388
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Energy: 0.6857748951355704
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Energy: 0.6753320754168595
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Energy: 0.798609631231655
Energy: 0.7283515998461518
Energy: 0.6859091747579755
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Energy: 0.6865148379945608
Energy: 0.6588379140400996
Energy: 0.7907491514457301
Energy: 0.6660937697030876
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Energy: 0.6588379140425367
Energy: 0.790749151448167
Energy: 0.7390121035300397
Energy: 0.6855789921813702
Energy: 0.7937415140842752
Energy: 0.7047884347063517
Energy: 0.7390121035300397
Energy: 0.6855789921789333
Energy: 0.7937415140794013
Energy: 0.676271934402127
Energy: 0.6632170284100347
Energy: 0.793878314492094
Energy: 0.6983793980946658
Energy: 0.676271934402127
Energy: 0.6632170284100347
Energy: 0.7938783144896571
Energy: 0.6409226330014738
Energy: 0.6556113592707001
Energy: 0.8134022555024503
Energy: 0.6674143254297878
Energy: 0.6409226330038664
Energy: 0.6556113592707001
Energy: 0.8134022555024503
Energy: 0.6643798025298926
Energy: 0.6792497266179988
Energy: 0.8147851145252766
Energy: 0.7083555295173627
Energy: 0.6643798025298926
Energy: 0.6792497266179988
Energy: 0.8147851145252766
Energy: 0.6374851827760614
Energy: 0.6851735508681854
Energy: 0.7326684615314424
Energy: 0.6407384786612247
Energy: 0.6374851827760614
Energy: 0.6851735508681854
Energy: 0.7326684615290053

minimum gb energy = 0.6348691747294054 eV
minimum distance =  2.47881773697635 Angstroms
sigma value = 401


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

Energy: 0.6769706636433083
Energy: 0.6666732269479989
Energy: 0.8261899988820368
Energy: 0.6704737284194285
Energy: 0.676970663642755
Energy: 0.6666732269496587
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Energy: 0.6579694672100327
Energy: 0.8515709732863849
Energy: 0.6509780049215764
Energy: 0.6600974630907279
Energy: 0.6579694672103346
Energy: 0.8576101210756962
Energy: 0.6520251849490077
Energy: 0.6825292005568353
Energy: 0.7571823626276063
Energy: 0.6416892604648508
Energy: 0.6520251849487563
Energy: 0.682529200559853
Energy: 0.7571823626276063
Energy: 0.6460587722099246
Energy: 0.7086678406075184
Energy: 0.7135523511287694
Energy: 0.6527811513328505
Energy: 0.6460587722099246
Energy: 0.7086678406067137
Energy: 0.7135523511287694
Energy: 0.6464203840572064
Energy: 0.693403675251322
Energy: 0.7200615487051967
Energy: 0.6939799750402446
Energy: 0.646420384058866
Energy: 0.6934036752526799
Energy: 0.7200615487040902
Energy: 0.6839472116624362
Energy: 0.6798382990722751
Energy: 0.7829596095280832
Energy: 0.6920045548605863
Energy: 0.6839472116610784
Energy: 0.6798382990725266
Energy: 0.7829596095302962
Energy: 0.6574222441653993
Energy: 0.7015737894971509
Energy: 0.7930814316844689
Energy: 0.6735961468219883
Energy: 0.6574222441642928
Energy: 0.7015737894943846
Energy: 0.7930814316853239
Energy: 0.6570735302552325
Energy: 0.6666732269477474
Energy: 0.8261899988828917
Energy: 0.6704737284197303
Energy: 0.6570735302563391
Energy: 0.6666732269483008
Energy: 0.8261899988828917
Energy: 0.6672644165321743
Energy: 0.6851560333916911
Energy: 0.7820160197076281
Energy: 0.6865532962557109
Energy: 0.6672644165332807
Energy: 0.6851560333905845
Energy: 0.7820160197068233

minimum gb energy = 0.641689260464549 eV
minimum distance =  2.5466412753541 Angstroms
sigma value = 311


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

Energy: 0.7440789114129062
Energy: 0.6820681397359737
Energy: 0.8353999591483715
Energy: 0.684700850224185
Energy: 0.7440789114129062
Energy: 0.6820681397359737
Energy: 0.8353999591477327
Energy: 0.7246093040672943
Energy: 0.7259147346619137
Energy: 0.7228773132500071
Energy: 0.7170239356413781
Energy: 0.7246093040676138
Energy: 0.7259147346619137
Energy: 0.7228773132503264
Energy: 0.6952199844709303
Energy: 0.7098327663568279
Energy: 0.7865088448540414
Energy: 0.6872350543603877
Energy: 0.6952199844706108
Energy: 0.7098327663568279
Energy: 0.773697634165818
Energy: 0.699855997836125
Energy: 0.6816182884624946
Energy: 0.7548134081831793
Energy: 0.6871155916417254
Energy: 0.699855997836125
Energy: 0.6816182884621753
Energy: 0.7548134081834987
Energy: 0.7148138979839264
Energy: 0.7042067478469309
Energy: 0.7843848314383373
Energy: 0.7082352755543543
Energy: 0.7148138979839264
Energy: 0.7042067478469309
Energy: 0.7919446525695506
Energy: 0.67473283669433
Energy: 0.6938987105568803
Energy: 0.7573979678409466
Energy: 0.6795194299008049
Energy: 0.67473283669433
Energy: 0.6938987105568803
Energy: 0.7573979678409466
Energy: 0.6809726114796298
Energy: 0.7345509396901302
Energy: 0.7224331328161122
Energy: 0.7065262645301197
Energy: 0.6809726114796298
Energy: 0.7345509396901302
Energy: 0.7224331328161122
Energy: 0.6729241828835838
Energy: 0.6825509218365852
Energy: 0.8298244242092709
Energy: 0.7012676502393917
Energy: 0.6729241828835838
Energy: 0.6825509218369047
Energy: 0.8298244242102293
Energy: 0.6814035117350653
Energy: 0.669361581242374
Energy: 0.8008894392751696
Energy: 0.7035829175350448
Energy: 0.6814035117350653
Energy: 0.6693615812426934
Energy: 0.8008894392754891
Energy: 0.6902798869365591
Energy: 0.7102545962285428
Energy: 0.75229913131719
Energy: 0.7416245125790631
Energy: 0.6902798869365591
Energy: 0.7102545962282234
Energy: 0.7522991313168705
Energy: 0.7174608973399521
Energy: 0.7058596975886617
Energy: 0.779096527775049
Energy: 0.678482789173773
Energy: 0.7174608973399521
Energy: 0.7058596975880229
Energy: 0.7790965277744102
Energy: 0.7083357585502048
Energy: 0.7250602537067176
Energy: 0.7311086112938844
Energy: 0.7040664995445468
Energy: 0.7083357585502048
Energy: 0.7250602537070371
Energy: 0.7311086112938844
Energy: 0.691702486911376
Energy: 0.7100433894936952
Energy: 0.7376926662894608
Energy: 0.7041432279538158
Energy: 0.691702486911376
Energy: 0.7100433894936952
Energy: 0.7376926662894608
Energy: 0.6694425936739885
Energy: 0.6909879769518328
Energy: 0.814681355836887
Energy: 0.6818471080478058
Energy: 0.6694425936739885
Energy: 0.6909879769518328
Energy: 0.814681355836887
Energy: 0.6917561821003152
Energy: 0.6772909454002246
Energy: 0.7811133783091756
Energy: 0.6979561596577813
Energy: 0.6917561821006345
Energy: 0.6772909454002246
Energy: 0.7811133783085368
Energy: 0.7040766492170577
Energy: 0.6944782190265859
Energy: 0.7467929090171317
Energy: 0.7163453229323988
Energy: 0.7040766492170577
Energy: 0.6944782190265859
Energy: 0.7467929090171317
Energy: 0.708453285741958
Energy: 0.6897330818049878
Energy: 0.7501556197564774
Energy: 0.6895088801429659
Energy: 0.708453285741958
Energy: 0.6897330818046684
Energy: 0.7501556197574356
Energy: 0.7013963763464945
Energy: 0.7558097737261297
Energy: 0.77593907228197
Energy: 0.7045989046231674
Energy: 0.7013963763464945
Energy: 0.7558097737264492
Energy: 0.77593907228197
Energy: 0.678643910082863
Energy: 0.7595010373499291
Energy: 0.7901008617233406
Energy: 0.6963851010984582
Energy: 0.678643910082863
Energy: 0.7595010373492903
Energy: 0.7901008617227019
Energy: 0.6755752261080327
Energy: 0.6943311840192451
Energy: 0.8002755651013377
Energy: 0.6881151403434782
Energy: 0.6755752261080327
Energy: 0.6943311840192451
Energy: 0.8002755651010183
Energy: 0.6863164342326475
Energy: 0.7263556954076688
Energy: 0.7576681217759756
Energy: 0.7323232000488215
Energy: 0.686316434232967
Energy: 0.7263556954076688
Energy: 0.7576681217756562
Energy: 0.6936719911909194
Energy: 0.6869773434117827
Energy: 0.7915760616619829
Energy: 0.6929622593184439
Energy: 0.6936719911909194
Energy: 0.6869773434114633
Energy: 0.7915760616610247
Energy: 0.72618337420797
Energy: 0.6861285477212073
Energy: 0.7567755859625268
Energy: 0.7132148487716213
Energy: 0.72618337420797
Energy: 0.6861285477212073
Energy: 0.747030719530852
Energy: 0.6872247123725288
Energy: 0.7098158225199118
Energy: 0.7733939327952557
Energy: 0.7013547948890407
Energy: 0.6872247123725288
Energy: 0.7098158225192731
Energy: 0.7733939327955751
Energy: 0.7020091190187071
Energy: 0.6919268902466859
Energy: 0.8287455936599697
Energy: 0.6889833455901275
Energy: 0.7020091190187071
Energy: 0.6919268902470053
Energy: 0.7972638116489803
Energy: 0.7078268862939125
Energy: 0.7217197040563806
Energy: 0.7654595656077514
Energy: 0.7371034637190924
Energy: 0.7078268862939125
Energy: 0.7217197040563806
Energy: 0.765459565607432
Energy: 0.74530642541913
Energy: 0.682214845105164
Energy: 0.8296366000598655
Energy: 0.7061816576723536
Energy: 0.74530642541913
Energy: 0.6822148451048445
Energy: 0.8341776186149472
Energy: 0.7278570611223387
Energy: 0.7232943973377288
Energy: 0.7383103118403671
Energy: 0.7291221743472946
Energy: 0.7278570611223387
Energy: 0.7232943973377288
Energy: 0.7383103118406865
Energy: 0.6924705957020194
Energy: 0.711977020733625
Energy: 0.772359043746511
Energy: 0.683457360806322
Energy: 0.6924705957020194
Energy: 0.711977020733625
Energy: 0.772359043746511
Energy: 0.680001821827607
Energy: 0.6809087840054351
Energy: 0.7450858479130608
Energy: 0.6755239953358916
Energy: 0.680001821827607
Energy: 0.6809087840054351
Energy: 0.7450858479127412
Energy: 0.7008724707911479
Energy: 0.7010083844299992
Energy: 0.8048294576480282
Energy: 0.7097619327462044
Energy: 0.7008724707911479
Energy: 0.7010083844299992
Energy: 0.804829457648667
Energy: 0.681014437083791
Energy: 0.6941398723718402
Energy: 0.7572688402068345
Energy: 0.6926774682777207
Energy: 0.681014437083791
Energy: 0.6941398723731177
Energy: 0.7572688402068345
Energy: 0.7086344832560154
Energy: 0.727817021490908
Energy: 0.7555681270467853
Energy: 0.7100948264381544
Energy: 0.7086344832560154
Energy: 0.7278170214905886
Energy: 0.7421661387415743
Energy: 0.6752645610397896
Energy: 0.7055996526250462
Energy: 0.8025857986968551
Energy: 0.6757455933241048
Energy: 0.6752645610397896
Energy: 0.7055996526253656
Energy: 0.8025857986968551
Energy: 0.6897042873223731
Energy: 0.6908181080083069
Energy: 0.7646172389508671
Energy: 0.6858225168587077
Energy: 0.6897042873223731
Energy: 0.6908181080083069
Energy: 0.7670790602183574
Energy: 0.693756911507523
Energy: 0.7371965138888402
Energy: 0.7735624811558558
Energy: 0.7553258881080794
Energy: 0.693756911507523
Energy: 0.7371965138888402
Energy: 0.7735624811555363

minimum gb energy = 0.669361581242374 eV
minimum distance =  2.51916682646196 Angstroms
sigma value = 39


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

Energy: 0.7235587716903671
Energy: 0.7571274773428774
Energy: 0.7229479676996234
Energy: 0.722915311044693
Energy: 0.7235587716899899
Energy: 0.7571274773436313
Energy: 0.7449078278774194
Energy: 0.6920136209042107
Energy: 0.7054422984017928
Energy: 0.7557807843374157
Energy: 0.7413059626776207
Energy: 0.6920136209045876
Energy: 0.7054422984017928
Energy: 0.7557807843377927
Energy: 0.7134115950678855
Energy: 0.7166074455771937
Energy: 0.7151399403446691
Energy: 0.6881929153514513
Energy: 0.7134115950678855
Energy: 0.7166074455771937
Energy: 0.7151399403454229
Energy: 0.6931102797258495
Energy: 0.7404735930326709
Energy: 0.8023919715775591
Energy: 0.7743987779730944
Energy: 0.6931102797258495
Energy: 0.7404735930322939
Energy: 0.8023919715786901
Energy: 0.7536788925564493
Energy: 0.7536715472212052
Energy: 0.7862998673952322
Energy: 0.7234042721067331
Energy: 0.7536788925564493
Energy: 0.7536715472212052
Energy: 0.7862998673948554
Energy: 0.7010160257748201
Energy: 0.7201802871349825
Energy: 0.8043964565293029
Energy: 0.7715439488865324
Energy: 0.7010160257751972
Energy: 0.7201802871346056
Energy: 0.8043964565293029
Energy: 0.7585421546606971
Energy: 0.7054940729212814
Energy: 0.71288892153132
Energy: 0.7082702678671039
Energy: 0.7585421546618281
Energy: 0.7054940729212814
Energy: 0.7104418002685337
Energy: 0.6913970273725625
Energy: 0.7566421337748264
Energy: 0.729199533867538
Energy: 0.7117975263197056
Energy: 0.6913970273725625
Energy: 0.7566421337752032
Energy: 0.729199533867538
Energy: 0.7662555598946407
Energy: 0.6865041551806045
Energy: 0.8497622770820947
Energy: 0.7896393394985314
Energy: 0.7662555598946407
Energy: 0.6865041551806045
Energy: 0.830736441613356
Energy: 0.6918886076787697
Energy: 0.7833622556263447
Energy: 0.8163156042849035
Energy: 0.725581636497547
Energy: 0.6918886076783926
Energy: 0.7833622556263447
Energy: 0.8163156042856575
Energy: 0.7381121549683066
Energy: 0.7312788500904349
Energy: 0.903056381480073
Energy: 0.7638741442878167
Energy: 0.7381121549683066
Energy: 0.731278850089304
Energy: 0.9261228366528382
Energy: 0.7050958037618353
Energy: 0.749426152573514
Energy: 0.7427106908437678
Energy: 0.727812033242473
Energy: 0.7050958037618353
Energy: 0.749426152573514
Energy: 0.7427106908437678
Energy: 0.7055476893306423
Energy: 0.7534825965207468
Energy: 0.8104259414085193
Energy: 0.7011754253059783
Energy: 0.7055476893306423
Energy: 0.7534825965215006
Energy: 0.8252554506830051
Energy: 0.6911793726735104
Energy: 0.7055343401421068
Energy: 0.7820928314917089
Energy: 0.7318476689771757
Energy: 0.6911793726735104
Energy: 0.7055343401421068
Energy: 0.7820928314917089
Energy: 0.7158088701727997
Energy: 0.7571274773428774
Energy: 0.8178531204755476
Energy: 0.7229153110477088
Energy: 0.7158088701727997
Energy: 0.7571274773432543
Energy: 0.8178531204763014
Energy: 0.6920136209045876
Energy: 0.7054422984017928
Energy: 0.7557807843374157
Energy: 0.7280114451929566
Energy: 0.6920136209045876
Energy: 0.7054422984014158
Energy: 0.7557807843374157
Energy: 0.7134115950678855
Energy: 0.7281288888163269
Energy: 0.715139940344292
Energy: 0.6881929153514513
Energy: 0.7134115950678855
Energy: 0.7281288888163269
Energy: 0.715139940344292
Energy: 0.6931102797262265
Energy: 0.7404735930326709
Energy: 0.8023919715775591
Energy: 0.7743987779730944
Energy: 0.6931102797262265
Energy: 0.7404735930326709
Energy: 0.802391971578313
Energy: 0.7465843548855423
Energy: 0.7536715472208284
Energy: 0.7862998673952322
Energy: 0.7234042721067331
Energy: 0.7465843548855423
Energy: 0.7536715472212052
Energy: 0.7862998673948554
Energy: 0.7068311823078686
Energy: 0.7201802871346056
Energy: 0.8043964565293029
Energy: 0.7715439488869095
Energy: 0.7068311823074916
Energy: 0.7201802871346056
Energy: 0.80439645652968
Energy: 0.7585421546610742
Energy: 0.7054940729216584
Energy: 0.708609483326318
Energy: 0.7112751799462677
Energy: 0.7585421546618281
Energy: 0.7054940729216584
Energy: 0.712888921532074
Energy: 0.6913970273725625
Energy: 0.75205264368757
Energy: 0.7291995338679149
Energy: 0.7117975263193288
Energy: 0.6913970273725625
Energy: 0.75205264368757
Energy: 0.7291995338679149
Energy: 0.7662555598946407
Energy: 0.6865041551806045
Energy: 0.8194157760057943
Energy: 0.7896393394985314
Energy: 0.7662555598942639
Energy: 0.6865041551813584
Energy: 0.8349533790337532
Energy: 0.7033519834412459
Energy: 0.7833622556263447
Energy: 0.8163156042849035
Energy: 0.7255816364983009
Energy: 0.7033519834412459
Energy: 0.7833622556263447
Energy: 0.8163156042852805
Energy: 0.7381121549683066
Energy: 0.7312788500904349
Energy: 0.8843045415674584
Energy: 0.7369666758130282
Energy: 0.7381121549683066
Energy: 0.731278850089304
Energy: 0.8843045415674584
Energy: 0.7050958037614583
Energy: 0.7494261525738908
Energy: 0.732250598580946
Energy: 0.7278120332420961
Energy: 0.7050958037614583
Energy: 0.7494261525738908
Energy: 0.7322505985798151
Energy: 0.7055476893306423
Energy: 0.7534825965211238
Energy: 0.8469095825080805
Energy: 0.7011754253059783
Energy: 0.7055476893302655
Energy: 0.7534825965215006
Energy: 0.877366523545411
Energy: 0.6911793726735104
Energy: 0.7055343401421068
Energy: 0.7820928314917089
Energy: 0.7318476689771757
Energy: 0.6911793726735104
Energy: 0.7055343401421068
Energy: 0.7820928314913318
Energy: 0.70761010756398
Energy: 0.7571274773428774
Energy: 0.8009329166637417
Energy: 0.7229153110473318
Energy: 0.7076101075628832
Energy: 0.7571274773436313
Energy: 0.8009329166626108
Energy: 0.6920136209045876
Energy: 0.7054422984017928
Energy: 0.7557807843381698
Energy: 0.738768708300219
Energy: 0.6920136209045876
Energy: 0.7054422984017928
Energy: 0.7557807843377927

minimum gb energy = 0.6865041551806045 eV
minimum distance =  2.58738655425547 Angstroms
sigma value = 21


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

Energy: 0.7300177480184593
Energy: 0.7839641118900311
Energy: 0.7614186216655869
Energy: 0.7838421338766136
Energy: 0.7300177480184593
Energy: 0.7839641118900311
Energy: 0.7614186216655869
Energy: 0.7749010885206042
Energy: 0.7264151833900877
Energy: 0.7376737614521192
Energy: 0.7339058068394811
Energy: 0.7749010885206042
Energy: 0.726415183391003
Energy: 0.737673761451204
Energy: 0.7329715720645587
Energy: 0.7476405078560145
Energy: 0.7602646512010396
Energy: 0.7337552173623032
Energy: 0.7329715720636434
Energy: 0.7476405078560145
Energy: 0.7602646512010396
Energy: 0.7681491879301666
Energy: 0.7210261296002468
Energy: 0.7597642409947372
Energy: 0.6972757202336924
Energy: 0.7681491879301666
Energy: 0.7210261295993315
Energy: 0.7597642409947372
Energy: 0.7087281134087468
Energy: 0.7780090516461412
Energy: 0.727742105180151
Energy: 0.7347045853497083
Energy: 0.7087281134082892
Energy: 0.7780090516456836
Energy: 0.7277421051806088
Energy: 0.756820155229166
Energy: 0.7208625347122781
Energy: 0.796904849734544
Energy: 0.7508205498740594
Energy: 0.756820155229166
Energy: 0.7208625347127359
Energy: 0.7969048497336287
Energy: 0.7523150344509254
Energy: 0.7841171301469098
Energy: 0.7244926148902975
Energy: 0.7226651957395589
Energy: 0.7523150344504677
Energy: 0.7841171301469098
Energy: 0.7244926148902975
Energy: 0.7304960260462792
Energy: 0.7366034302302292
Energy: 0.7336445103049672
Energy: 0.7251684057035634
Energy: 0.7304960260462792
Energy: 0.7366034302302292
Energy: 0.7336445103049672
Energy: 0.7359618112495896
Energy: 0.7201863117411564
Energy: 0.7264385211519032
Energy: 0.7303844695020417
Energy: 0.7359618112495896
Energy: 0.7201863117406988
Energy: 0.7264385211519032
Energy: 0.7490688774972134
Energy: 0.7286665461440296
Energy: 0.7431890630702318
Energy: 0.7131926994877034
Energy: 0.7490688774972134
Energy: 0.7286665461440296
Energy: 0.743189063069795
Energy: 0.7430207641417853
Energy: 0.7956849289805654
Energy: 0.7788141715001066
Energy: 0.728335726519677
Energy: 0.7430207641417853
Energy: 0.7956849289801079
Energy: 0.7788141715005641
Energy: 0.6961054722173847
Energy: 0.7231387676117473
Energy: 0.7545960361758812
Energy: 0.7414273352616543
Energy: 0.6961054722173847
Energy: 0.7231387676117473
Energy: 0.754596036176339
Energy: 0.743394121362981
Energy: 0.7547876616437487
Energy: 0.7801091697287307
Energy: 0.722852400869568
Energy: 0.743394121362981
Energy: 0.754787661644664
Energy: 0.7801091697291884
Energy: 0.7504910962565194
Energy: 0.7237108756079969
Energy: 0.8006984745032548
Energy: 0.7413286377316498
Energy: 0.7504910962565194
Energy: 0.7237108756079969
Energy: 0.800698474504607
Energy: 0.7686300740552885
Energy: 0.724436708416061
Energy: 0.770624213259883
Energy: 0.7245866266628046
Energy: 0.768630074055746
Energy: 0.7244367084165187
Energy: 0.770624213259883
Energy: 0.7115064011164555
Energy: 0.7532332244850554
Energy: 0.7361195253185367
Energy: 0.741715768095065
Energy: 0.7115064013351181
Energy: 0.7532332244850554
Energy: 0.7361195253185367
Energy: 0.7736670932922559
Energy: 0.7418484189813209
Energy: 0.7814465106676581
Energy: 0.7246366959588786
Energy: 0.7736670932922559
Energy: 0.7418484189790328
Energy: 0.7814465106672004
Energy: 0.7334998510784027
Energy: 0.742110170577958
Energy: 0.7238125759538366
Energy: 0.7450150999147
Energy: 0.7334998510784027
Energy: 0.742110170577958
Energy: 0.7238125759542943
Energy: 0.7372909237003252
Energy: 0.715445919455297
Energy: 0.784471997976348
Energy: 0.7036840885070308
Energy: 0.73729092369941
Energy: 0.715445919455297
Energy: 0.784471997976348
Energy: 0.7198412420620258
Energy: 0.7282324783664418
Energy: 0.7313388157929619
Energy: 0.7285558159266537
Energy: 0.7198412420620258
Energy: 0.7282324783659841
Energy: 0.7313388157943346
Energy: 0.7372782453258411
Energy: 0.7035624260956648
Energy: 0.784440751210507
Energy: 0.713668032168214
Energy: 0.7372782453244682
Energy: 0.7035624260956648
Energy: 0.784440751210507
Energy: 0.7322377778610893
Energy: 0.7449979586756754
Energy: 0.7237807563370121
Energy: 0.7421961295254916
Energy: 0.7322377778610893
Energy: 0.7449979586756754
Energy: 0.7237807563370121
Energy: 0.7735135933554654
Energy: 0.7245882229737861
Energy: 0.7816308817523301
Energy: 0.7419096190766878
Energy: 0.7735135933554654
Energy: 0.7245882229733286
Energy: 0.7816308817518725
Energy: 0.7330898586620462
Energy: 0.7417987345414333
Energy: 0.7355236321852392
Energy: 0.7532121591855013
Energy: 0.7330898586661648
Energy: 0.7417987345414333
Energy: 0.7355236321852392
Energy: 0.768607778785234
Energy: 0.7268612697032758
Energy: 0.7994940312347022
Energy: 0.7338259472997952
Energy: 0.7686077787856915
Energy: 0.7268612697037334
Energy: 0.7994940312351598

minimum gb energy = 0.6961054722173847 eV
minimum distance =  2.49159855945471 Angstroms
sigma value = 113


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

Energy: 0.7608993619824262
Energy: 0.757089685275808
Energy: 0.7664014724115595
Energy: 0.7573827725300248
Energy: 0.7608993619790829
Energy: 0.7570896852752972
Energy: 0.7664014724130919
Energy: 0.7660291099423293
Energy: 0.7528869575361065
Energy: 0.7476381130424132
Energy: 0.7329882851798798
Energy: 0.7660291099418184
Energy: 0.7528869575412145
Energy: 0.7476381130431562
Energy: 0.7695703035193898
Energy: 0.7277845821736294
Energy: 0.7652679113384183
Energy: 0.7389280687555593
Energy: 0.7695703035219439
Energy: 0.7277845821738615
Energy: 0.7652679113384183
Energy: 0.7125798720563937
Energy: 0.7535384540151165
Energy: 0.7827299438050408
Energy: 0.7715185867304593
Energy: 0.7125798720579261
Energy: 0.7535384540169277
Energy: 0.7827299438050408
Energy: 0.7726109826823554
Energy: 0.6851002583046784
Energy: 0.7175627178312002
Energy: 0.7008378858435256
Energy: 0.7726109826836091
Energy: 0.6851002583041674
Energy: 0.7175627178355652
Energy: 0.7183517570586676
Energy: 0.7096988059730687
Energy: 0.7863047047938773
Energy: 0.7304025180814707
Energy: 0.7183517570563458
Energy: 0.709698805973858
Energy: 0.7863047047920663
Energy: 0.7597633717610918
Energy: 0.6979260313858305
Energy: 0.7336521991582929
Energy: 0.7324457594737491
Energy: 0.7597633717613239
Energy: 0.6979260313822548
Energy: 0.7336521991590823
Energy: 0.7065166851845623
Energy: 0.7348348750613042
Energy: 0.7610073778691511
Energy: 0.7256252832690119
Energy: 0.7065166851809868
Energy: 0.7348348750615827
Energy: 0.7610073778688723
Energy: 0.7396183880515432
Energy: 0.7004296011106865
Energy: 0.7755660100442939
Energy: 0.7069492327047658
Energy: 0.7396183880482461
Energy: 0.700429601109665
Energy: 0.7755660100427616
Energy: 0.717761103308636
Energy: 0.7328714541336032
Energy: 0.7462361088673399
Energy: 0.7369003702457191
Energy: 0.7177611033114684
Energy: 0.7328714541376896
Energy: 0.7462361088658075
Energy: 0.7307713362692798
Energy: 0.7344858341420908
Energy: 0.8052981274829447
Energy: 0.7184113508131432
Energy: 0.7307713362654256
Energy: 0.7344858341418588
Energy: 0.8052981274816909
Energy: 0.7247908219003948
Energy: 0.7304597312181663
Energy: 0.7967317722145372
Energy: 0.744027400923769
Energy: 0.7247908218917112
Energy: 0.730459731216866
Energy: 0.7967317722168591
Energy: 0.7549521594589784
Energy: 0.7305217437658279
Energy: 0.765540736196969
Energy: 0.7352205977510761
Energy: 0.754952159457957
Energy: 0.7305217437696357
Energy: 0.7905265638290444
Energy: 0.7558889948299449
Energy: 0.7668532167877359
Energy: 0.8298835751474866
Energy: 0.7393747872413899
Energy: 0.7558889948297127
Energy: 0.7668532167849497
Energy: 0.82988357515083
Energy: 0.7421079057559969
Energy: 0.7317577311110917
Energy: 0.8144848915577743
Energy: 0.7567090239507984
Energy: 0.7421079057567399
Energy: 0.7317577311118346
Energy: 0.814484891556474
Energy: 0.7539347165472622
Energy: 0.6995854532748578
Energy: 0.7980819257683006
Energy: 0.7446677750670014
Energy: 0.7539347165464728
Energy: 0.6995854532741148
Energy: 0.7980819257662574
Energy: 0.7450674974181974
Energy: 0.7277758978226196
Energy: 0.8289173995163462
Energy: 0.7234949103358119
Energy: 0.7450674974168973
Energy: 0.7277758978213194
Energy: 0.8289173995173676
Energy: 0.7200721211946968
Energy: 0.7051305782272195
Energy: 0.8047771687487267
Energy: 0.7315777221833244
Energy: 0.7200721211939537
Energy: 0.7051305782295413
Energy: 0.8047771687502593
Energy: 0.7574913683309676
Energy: 0.7350511437281616
Energy: 0.8031382171095051
Energy: 0.7372467167538652
Energy: 0.7574913683314783
Energy: 0.7350511437284402
Energy: 0.7936164094482264
Energy: 0.7255346972723831
Energy: 0.7347309172942179
Energy: 0.7856925547291901
Energy: 0.72394600964507
Energy: 0.7255346972708506
Energy: 0.7347309172931963
Energy: 0.7856925547274255
Energy: 0.7316531592836454
Energy: 0.709824505580007
Energy: 0.7684321240634651
Energy: 0.7564759350162985
Energy: 0.7316531592869425
Energy: 0.7098245055833505
Energy: 0.7684321240665298
Energy: 0.7242046873545289
Energy: 0.7355251940187647
Energy: 0.7569428856600889
Energy: 0.7218979863316425
Energy: 0.7242046873483993
Energy: 0.7355251940213187
Energy: 0.7569428856562812
Energy: 0.7379090628470738
Energy: 0.7036307309646889
Energy: 0.8032522946891961
Energy: 0.7589857675341851
Energy: 0.7379090628506494
Energy: 0.7036307309644103
Energy: 0.8032522946853883
Energy: 0.7369229413214164
Energy: 0.7265121808887222
Energy: 0.76028088000418
Energy: 0.720125666907753
Energy: 0.736922941322438
Energy: 0.7265121808866789
Energy: 0.7602808800039479
Energy: 0.727362755304801
Energy: 0.7388371657766973
Energy: 0.7766710848572287
Energy: 0.7778227400233813
Energy: 0.7273627553063333
Energy: 0.7388371657756756
Energy: 0.7766710848595042
Energy: 0.7274909395952722
Energy: 0.7439883777156796
Energy: 0.79364386694812
Energy: 0.7436189596148155
Energy: 0.7274909395937397
Energy: 0.743988377717212
Energy: 0.7936438669489094
Energy: 0.785062987054261
Energy: 0.7382529301180125
Energy: 0.769498902736177
Energy: 0.7786862995187104
Energy: 0.7850629870529608
Energy: 0.7382529301187555
Energy: 0.7694989027339015
Energy: 0.7213754165770985
Energy: 0.7803713866720756
Energy: 0.7788079035609604
Energy: 0.7732070417654998
Energy: 0.7213754165770985
Energy: 0.7803713866700325
Energy: 0.7788079035622142
Energy: 0.782699960410225
Energy: 0.7375419318284961
Energy: 0.7616343433630783
Energy: 0.7852437988748115
Energy: 0.7826999604112466
Energy: 0.7375419318292855
Energy: 0.761634343364843
Energy: 0.7234258577946353
Energy: 0.7514288106219573
Energy: 0.7772512056687203
Energy: 0.7459060580681551
Energy: 0.7234258577974214
Energy: 0.7514288106237683
Energy: 0.7772512056715065
Energy: 0.7254166646730164
Energy: 0.7381663324089445
Energy: 0.7584033208723762
Energy: 0.768889488685872
Energy: 0.7254166646712054
Energy: 0.7381663324099661
Energy: 0.7584033208695437
Energy: 0.7179789026428159
Energy: 0.7017278301509643
Energy: 0.735490497085589
Energy: 0.7241544373364056
Energy: 0.7179789026436055
Energy: 0.7017278301514751
Energy: 0.7354904970879108
Energy: 0.7254107532322787
Energy: 0.711903970844894
Energy: 0.7656567601609922
Energy: 0.7379512718483674
Energy: 0.7254107532300031
Energy: 0.7119039708451261
Energy: 0.7656567601602028
Energy: 0.7181596839927802
Energy: 0.7019927720140022
Energy: 0.7404001731696489
Energy: 0.7153647829556102
Energy: 0.7181596839961236
Energy: 0.7019927720153024
Energy: 0.7404001731716922
Energy: 0.7104629283392099
Energy: 0.7012969321556827
Energy: 0.7558721148113484
Energy: 0.7307124590399662
Energy: 0.7104629283394885
Energy: 0.7012969321526179
Energy: 0.7558721148118591
Energy: 0.7230975624769802
Energy: 0.7083603068548484
Energy: 0.7285691153790032
Energy: 0.7049195900977858
Energy: 0.7230975624769802
Energy: 0.7083603068568916
Energy: 0.7285691153779814
Energy: 0.7121994748330159
Energy: 0.700040389302318
Energy: 0.7369421571744944
Energy: 0.7419084122715524
Energy: 0.7121994748358487
Energy: 0.7000403893033397
Energy: 0.7369421571752837
Energy: 0.7198836771690992
Energy: 0.7311361803460419
Energy: 0.7546907862626538
Energy: 0.7048465665310006
Energy: 0.7198836771688205
Energy: 0.7311361803467848
Energy: 0.7546907862649757
Energy: 0.712288414076714
Energy: 0.725330277705381
Energy: 0.8398627883161118
Energy: 0.727380963082737
Energy: 0.7122884140775034
Energy: 0.7253302777046381
Energy: 0.8398627883168548
Energy: 0.7265127970967319
Energy: 0.7542602943066065
Energy: 0.7314498684270268
Energy: 0.7285476849991347
Energy: 0.7265127970967319
Energy: 0.7542602943060955
Energy: 0.7314498684244727
Energy: 0.763350667639299
Energy: 0.7247569535970193
Energy: 0.8382324356406036
Energy: 0.7283090151720012
Energy: 0.7633506676354447
Energy: 0.7247569535972515
Energy: 0.8382324356393498
Energy: 0.7263858409632944
Energy: 0.7121594609874534
Energy: 0.7989536472307736
Energy: 0.7404981054799328
Energy: 0.7263858409689132
Energy: 0.7121594609849458
Energy: 0.7989536472307736
Energy: 0.7691361033821856
Energy: 0.7247193899431265
Energy: 0.7991952095101617
Energy: 0.730987186820488
Energy: 0.7691361033811641
Energy: 0.7247193899421048
Energy: 0.7991952095101617
Energy: 0.730442063286237
Energy: 0.7292432480598491
Energy: 0.8168937890577783
Energy: 0.7229015833776994
Energy: 0.730442063285494
Energy: 0.7292432480608707
Energy: 0.8168937890577783
Energy: 0.7193736561889563
Energy: 0.72006194903737
Energy: 0.7964317605181593
Energy: 0.7217639088211173
Energy: 0.7193736561892351
Energy: 0.7200619490391345
Energy: 0.7964317605220136

minimum gb energy = 0.6851002583041674 eV
minimum distance =  2.49427362191266 Angstroms
sigma value = 365


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

Energy: 0.7214303910166178
Energy: 0.5895087880595451
Energy: 0.7427256283490175
Energy: 0.5895087880595451
Energy: 0.7214303910171936
Energy: 0.5895087880589692
Energy: 0.5812553867014696
Energy: 0.7214303910177695
Energy: 0.5895087880595451
Energy: 0.5796695032951084
Energy: 0.5895087880595451
Energy: 0.7214303910177695
Energy: 0.5895087880589692
Energy: 0.5564634733619461
Energy: 0.7214303910177695
Energy: 0.5895087880595451
Energy: 0.5415521914371444
Energy: 0.5895087880589692
Energy: 0.7214303910171936
Energy: 0.5895087880595451
Energy: 0.5415521915188867
Energy: 0.7214303910177695
Energy: 0.5895087880578177
Energy: 0.7076161262147223
Energy: 0.5895087880589692
Energy: 0.7214303910171936
Energy: 0.5895087880595451
Energy: 0.5863541345848322
Energy: 0.7214303910177695
Energy: 0.5895087880595451
Energy: 0.5415521914561469
Energy: 0.5895087880595451
Energy: 0.7214303910171936
Energy: 0.5895087880589692
Energy: 0.5415521914774266
Energy: 0.7214303910171936
Energy: 0.5895087880589692
Energy: 0.5415521914532677
Energy: 0.5895087880589692
Energy: 0.7214303910171936
Energy: 0.589508788060121
Energy: 0.5511550492737689
Energy: 0.7214303910177695
Energy: 0.5895087880595451
Energy: 0.6434358358520396
Energy: 0.5895087880583934
Energy: 0.7214303910171936
Energy: 0.5895087880595451
Energy: 0.5863541346809705
Energy: 0.7214303910177695
Energy: 0.5895087880589692
Energy: 0.5511550493888835
Energy: 0.5895087880589692
Energy: 0.7214303910171936
Energy: 0.589508788060121
Energy: 0.5511550494285901
Energy: 0.7214303910171936
Energy: 0.5895087880595451
Energy: 0.581255386730811
Energy: 0.5895087880595451
Energy: 0.7214303910171936
Energy: 0.5895087880589692
Energy: 0.5415521913951346
Energy: 0.7214303910177695
Energy: 0.5895087880589692
Energy: 0.6147605694568365
Energy: 0.5895087880583934
Energy: 0.7214303910177695
Energy: 0.5895087880595451
Energy: 0.5812553866156964
Energy: 0.7214303910177695
Energy: 0.5895087880595451
Energy: 0.541552191445206
Energy: 0.5895087880595451
Energy: 0.7214303910177695
Energy: 0.5895087880589692
Energy: 0.5415521915027633
Energy: 0.7214303910183452
Energy: 0.5895087880595451
Energy: 0.5564857946091252
Energy: 0.5895087880595451
Energy: 0.7214303910177695
Energy: 0.5895087880589692
Energy: 0.5564857175068244
Energy: 0.7214303910171936
Energy: 0.5895087880583934
Energy: 0.5784103905023724
Energy: 0.589508788060121
Energy: 0.7214303910177695
Energy: 0.5895087880583934
Energy: 0.5564752657967637
Energy: 0.7214303910171936
Energy: 0.5895087880589692
Energy: 0.5564855038551823
Energy: 0.5895087880595451
Energy: 0.7214303910171936
Energy: 0.5895087880589692
Energy: 0.5564860553932344
Energy: 0.7214303910171936
Energy: 0.5895087880589692
Energy: 0.5564832785437109
Energy: 0.5895087880595451
Energy: 0.7214303910177695
Energy: 0.5895087880595451
Energy: 0.5564812520909143
Energy: 0.7214303910171936
Energy: 0.5895087880595451
Energy: 0.5564858185071968
Energy: 0.5895087880595451
Energy: 0.7214303910177695
Energy: 0.5895087880589692
Energy: 0.5564859767063401
Energy: 0.7214303910166178
Energy: 0.5895087880589692
Energy: 0.5564858878581818
Energy: 0.5895087880595451
Energy: 0.7214303910177695
Energy: 0.5895087880595451
Energy: 0.5564836907593048
Energy: 0.7214303910177695
Energy: 0.5895087880595451
Energy: 0.5564855791847225
Energy: 0.5895087880589692
Energy: 0.7214303910171936
Energy: 0.5895087880589692
Energy: 0.5564855917030106
Energy: 0.7214303910171936
Energy: 0.5895087880583934
Energy: 0.5564791976010481
Energy: 0.5895087880589692
Energy: 0.7214303910171936
Energy: 0.5895087880589692
Energy: 0.5564849595539114
Energy: 0.7214303910171936
Energy: 0.5895087880595451
Energy: 0.556486028178693
Energy: 0.5895087880595451
Energy: 0.7214303910171936
Energy: 0.5895087880589692
Energy: 0.556481736082413

minimum gb energy = 0.5415521913951346 eV
minimum distance =  2.63629857276328 Angstroms
sigma value = 23