Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_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=4.044650822877884
cohesive_energy=3.3602642806077534
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: 0.012708519109623326
Energy: 0.2842219011295373
Energy: 0.7190507554498701
Energy: 0.28418743685003267
Energy: 0.012708519109827874
Energy: 0.28422190112915097
Energy: 0.3979548383842674
Energy: 0.397326475887939
Energy: 0.013138285722281531
Energy: 0.11423930816326848
Energy: 0.01315900752811572
Energy: 0.3973264758883253
Energy: 0.013138285721895161
Energy: 0.11423930816365485
Energy: 0.012708519109623326
Energy: 0.28422190112915097
Energy: 0.7190507554500746
Energy: 0.28418743685003267
Energy: 0.012708519109827874
Energy: 0.28422190112933277
Energy: 0.39795483838385826
Energy: 0.3973264758881435
Energy: 0.013138285722099708
Energy: 0.11423930816326848
Energy: 0.013159007527911173
Energy: 0.397326475887939
Energy: 0.013138285722099708
Energy: 0.11423930816365485
Energy: 0.012708519109623326
Energy: 0.28422190112915097
Energy: 0.768251327790657
Energy: 0.28418743685023723
Energy: 0.012708519109827874
Energy: 0.28422190112915097
Energy: 0.39795483838385826
Energy: 0.397326475887939
Energy: 0.013138285722281531
Energy: 0.11423930816306394
Energy: 0.013159007527911173
Energy: 0.397326475887939
Energy: 0.013138285721895161
Energy: 0.11423930816347302

minimum gb energy = 0.012708519109623326 eV
minimum distance =  2.83321140880549 Angstroms
sigma value = 5


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

Energy: 0.6661562290414882
Energy: 0.6868112056352941
Energy: 0.7044652339150789
Energy: 0.6864026292521309
Energy: 0.6661562290512618
Energy: 0.6868112056377375
Energy: 0.6881973021371538
Energy: 0.6416879069541811
Energy: 0.6289228863590077
Energy: 0.6723132251976764
Energy: 0.634557132694973
Energy: 0.6416879069566245
Energy: 0.6289228863590077
Energy: 0.6723132252000753
Energy: 0.624202163618268
Energy: 0.6331416419995818
Energy: 0.7170236600648985
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Energy: 0.633141641994695
Energy: 0.7170236600600115
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Energy: 0.6253736904848066
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Energy: 0.6536182449421681
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Energy: 0.7177917380820775
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Energy: 0.6331420451567217
Energy: 0.7218096780581897
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Energy: 0.6505903666615
Energy: 0.6331420451542782
Energy: 0.7218096780606331
Energy: 0.6905659687479885
Energy: 0.6379135204092459
Energy: 0.685741925022549
Energy: 0.6543177122224655
Energy: 0.690565968750432
Energy: 0.6379135204092459
Energy: 0.685741925022549
Energy: 0.6418038070410438
Energy: 0.6502549929297519
Energy: 0.6984986489072775
Energy: 0.6573485827418389
Energy: 0.6418038070434872
Energy: 0.6502549929346387
Energy: 0.6984986489023909
Energy: 0.6246987954854352
Energy: 0.6429814258874894
Energy: 0.6978785787746559
Energy: 0.635482307247562
Energy: 0.6246987954854352
Energy: 0.642981425885046
Energy: 0.6978785787722124
Energy: 0.6212434750936947
Energy: 0.656686642170756
Energy: 0.6811250361791605
Energy: 0.6726141410150743
Energy: 0.6212434750985817
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Energy: 0.6625497246225655
Energy: 0.6205697264765447
Energy: 0.6194036159296735
Energy: 0.6558729129063746
Energy: 0.6625497246201221

minimum gb energy = 0.6169096352651177 eV
minimum distance =  2.53521392192053 Angstroms
sigma value = 401


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

Energy: 0.6524488394798963
Energy: 0.6515882786145186
Energy: 0.7245664960317606
Energy: 0.6540860484551119
Energy: 0.6524488394793415
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Energy: 0.6971154689966537
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Energy: 0.665019377945218
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Energy: 0.6510615922374423
Energy: 0.6478921635214786
Energy: 0.6536252927795178
Energy: 0.6449720453445195
Energy: 0.6510615922385519
Energy: 0.6478921635209239
Energy: 0.6536252927776014
Energy: 0.6342667774118556
Energy: 0.633816041508955
Energy: 0.7066287031635753
Energy: 0.6367597142326036
Energy: 0.634266777410746
Energy: 0.6338160415108712
Energy: 0.7066287031621633
Energy: 0.6414010828076208
Energy: 0.6646600100695774
Energy: 0.685518168304163
Energy: 0.6351419265537596
Energy: 0.6414010828056541
Energy: 0.6646600100714936
Energy: 0.6855181683050203
Energy: 0.6428978010343903
Energy: 0.6608080994942889
Energy: 0.6428199153459465
Energy: 0.6352004375591446
Energy: 0.6428978010349451
Energy: 0.6608080994939862
Energy: 0.6428199153226488
Energy: 0.6411177057882265
Energy: 0.6341423359217284
Energy: 0.645084121473349
Energy: 0.6373966700721302
Energy: 0.6411177057876718
Energy: 0.6341423359225855
Energy: 0.6450841214755679
Energy: 0.6288869141970386
Energy: 0.6347471719566207
Energy: 0.6445030625720058
Energy: 0.6362253155944831
Energy: 0.6288869141984506
Energy: 0.6347471719563685
Energy: 0.6445030625711488
Energy: 0.621348718771992
Energy: 0.6515882786142665
Energy: 0.6971154689972084
Energy: 0.6540860484554144
Energy: 0.6213487187739084
Energy: 0.6515882786137117
Energy: 0.6971154689969563
Energy: 0.6314486583471351
Energy: 0.6258448585479349
Energy: 0.6479296493562008
Energy: 0.6507319135884763
Energy: 0.6314486583484968
Energy: 0.6258448585468257
Energy: 0.6479296493542845

minimum gb energy = 0.6213487187716894 eV
minimum distance =  2.54763392675121 Angstroms
sigma value = 311


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

Energy: 0.6741948618869809
Energy: 0.6547393482866133
Energy: 0.6851611671160924
Energy: 0.6525146516371334
Energy: 0.6741948618869809
Energy: 0.6547393482875741
Energy: 0.7406468780825909
Energy: 0.6803941791253657
Energy: 0.6397306542897666
Energy: 0.6664063967212065
Energy: 0.6524797499837149
Energy: 0.6803941791250454
Energy: 0.6397306542894464
Energy: 0.6664063967218471
Energy: 0.6514865047026006
Energy: 0.6622660286700564
Energy: 0.6885080207516249
Energy: 0.6565424649822938
Energy: 0.6514865047029208
Energy: 0.6622660286691247
Energy: 0.7026482028261571
Energy: 0.6582323100328986
Energy: 0.6417114666657225
Energy: 0.6918080942130805
Energy: 0.6428048273547169
Energy: 0.6582323100338594
Energy: 0.6417114666654024
Energy: 0.6918080942134008
Energy: 0.6710272706388067
Energy: 0.6521018238409418
Energy: 0.7009975345405982
Energy: 0.6569516988425774
Energy: 0.671027270637846
Energy: 0.6521018238409418
Energy: 0.6976463292109771
Energy: 0.6596678227548199
Energy: 0.6423729141401122
Energy: 0.6652005299121291
Energy: 0.6406632353495807
Energy: 0.6596678227548199
Energy: 0.6423729141397919
Energy: 0.6652005299124494
Energy: 0.6550337555612618
Energy: 0.6973380397487445
Energy: 0.6690565398646644
Energy: 0.6635010271247768
Energy: 0.6550337555622225
Energy: 0.6973380397490648
Energy: 0.6907582173907368
Energy: 0.6588830093082145
Energy: 0.6448576568874185
Energy: 0.6885109266112782
Energy: 0.6536991454538886
Energy: 0.6588830093082145
Energy: 0.6448576568864578
Energy: 0.6885109266109579
Energy: 0.6464008914369959
Energy: 0.6289975638829681
Energy: 0.6961217240550606
Energy: 0.6446361320710924
Energy: 0.6464008914366756
Energy: 0.6289975638823277
Energy: 0.6886302053956705
Energy: 0.6639404522415807
Energy: 0.6700725535094773
Energy: 0.7034743171946408
Energy: 0.6745220367167
Energy: 0.6639404522406199
Energy: 0.670072553509157
Energy: 0.7034743171940002
Energy: 0.6877050046687898
Energy: 0.6606705196537245
Energy: 0.7264341361231648
Energy: 0.6400781508042233
Energy: 0.6877050046694302
Energy: 0.6606705196530839
Energy: 0.7264341361241256
Energy: 0.6578126504510224
Energy: 0.700958114232384
Energy: 0.6929225363162148
Energy: 0.6613102159887237
Energy: 0.6578126504507023
Energy: 0.7009581142317434
Energy: 0.6929225363165206
Energy: 0.6589784897043034
Energy: 0.6548361517586758
Energy: 0.6879520609563835
Energy: 0.6413925852669329
Energy: 0.6589784897043034
Energy: 0.6548361517580353
Energy: 0.6879520609563835
Energy: 0.6363045103021513
Energy: 0.66326955158938
Energy: 0.6736489675929656
Energy: 0.6571938396071542
Energy: 0.6363045103024716
Energy: 0.66326955158938
Energy: 0.6736489675920049
Energy: 0.6719582830165316
Energy: 0.6413501592522274
Energy: 0.6886131855506072
Energy: 0.640260199014265
Energy: 0.6719582830168518
Energy: 0.6413501592515868
Energy: 0.6886131855499668
Energy: 0.6578324159929086
Energy: 0.659512080140194
Energy: 0.6923774680729998
Energy: 0.6839272985787869
Energy: 0.6578324159925883
Energy: 0.6595120801398738
Energy: 0.6923774680736402
Energy: 0.6726101115249954
Energy: 0.6426370152921185
Energy: 0.7056463679098235
Energy: 0.6395740534757904
Energy: 0.6726101115246752
Energy: 0.6426370152924388
Energy: 0.7056463679095031
Energy: 0.6546316368492459
Energy: 0.7022993592518108
Energy: 0.6967616394431831
Energy: 0.6684837617476722
Energy: 0.6546316368498865
Energy: 0.7022993592514906
Energy: 0.696761639442863
Energy: 0.6463183314495872
Energy: 0.646477824083393
Energy: 0.6865198026492488
Energy: 0.648796115192413
Energy: 0.6463183314492669
Energy: 0.6464778240837132
Energy: 0.6950167915008999
Energy: 0.6589254232774637
Energy: 0.6404889286800001
Energy: 0.6774352936078024
Energy: 0.6448551069331666
Energy: 0.658925423277784
Energy: 0.6404889286796797
Energy: 0.6774352936071618
Energy: 0.6621057833491564
Energy: 0.6635718984219475
Energy: 0.6799952088033605
Energy: 0.6744747928114719
Energy: 0.6621057833485159
Energy: 0.6635718984229083
Energy: 0.6799952088020794
Energy: 0.6685987140273982
Energy: 0.6394520381251315
Energy: 0.6665902602499512
Energy: 0.6322100285384815
Energy: 0.6685987140273982
Energy: 0.6394520381248113
Energy: 0.6665902602496309
Energy: 0.6537567315248978
Energy: 0.6562113964881167
Energy: 0.6783670335057628
Energy: 0.6518006300743479
Energy: 0.653756731525218
Energy: 0.656211396488437
Energy: 0.6783670335070437
Energy: 0.646322794057543
Energy: 0.6397959899325112
Energy: 0.687004773901352
Energy: 0.6416797447294098
Energy: 0.6463227940581835
Energy: 0.6397959899321909
Energy: 0.6870047739007115
Energy: 0.6489657903231573
Energy: 0.6576053661572119
Energy: 0.6721157008908224
Energy: 0.64693518644199
Energy: 0.648965790321556
Energy: 0.6576053661581727
Energy: 0.6721157008917833
Energy: 0.6789678854495561
Energy: 0.6523874710298028
Energy: 0.6663280580246183
Energy: 0.6495261418139849
Energy: 0.6789678854492358
Energy: 0.6523874710298028
Energy: 0.6663280580242981
Energy: 0.6685205761061237
Energy: 0.6545634068656927
Energy: 0.7182134122327822
Energy: 0.654678493655395
Energy: 0.6685205761074048
Energy: 0.654563406864732
Energy: 0.7157185795639927
Energy: 0.6793180825320453
Energy: 0.6424806676444137
Energy: 0.6666556496661915
Energy: 0.6561221277268693
Energy: 0.6793180825326858
Energy: 0.6424806676437732
Energy: 0.6666556496658712
Energy: 0.6526604175321175
Energy: 0.6656062955907904
Energy: 0.6882613265566877
Energy: 0.6380571155633733
Energy: 0.6526604175321175
Energy: 0.6656062955907904
Energy: 0.6882613265560472
Energy: 0.6448794617281149
Energy: 0.649180429117613
Energy: 0.6866855707411412
Energy: 0.6320510787262235
Energy: 0.6448794617290757
Energy: 0.6491804291191853
Energy: 0.6866855707411412
Energy: 0.657318001208264
Energy: 0.6519693814105944
Energy: 0.7004299494780083
Energy: 0.6572483320704999
Energy: 0.657318001206983
Energy: 0.6519693814112348
Energy: 0.7025413525164618
Energy: 0.6622379190700919
Energy: 0.6326022267184215
Energy: 0.6667053698673977
Energy: 0.6447960495368762
Energy: 0.6622379190700919
Energy: 0.6326022267187417
Energy: 0.6667053698657963
Energy: 0.6706458194320832
Energy: 0.6958418759920404
Energy: 0.679000101306111
Energy: 0.6507674821682146
Energy: 0.6706458194324035
Energy: 0.6958418759917201
Energy: 0.6987730514310779
Energy: 0.6606725950494964
Energy: 0.6570976064908244
Energy: 0.6873058547133316
Energy: 0.6405411646726548
Energy: 0.6606725950498167
Energy: 0.6570976064911447
Energy: 0.6873058547126911
Energy: 0.6464349506951915
Energy: 0.6559672973483733
Energy: 0.7226355022927372
Energy: 0.6375747935273883
Energy: 0.646434950695832
Energy: 0.655967297347733
Energy: 0.722635502293698
Energy: 0.6639296253338907
Energy: 0.6756172888446489
Energy: 0.6952466201223434
Energy: 0.6966365717689023
Energy: 0.6639296253338907
Energy: 0.6756172888446489
Energy: 0.6952466201226636

minimum gb energy = 0.6289975638823277 eV
minimum distance =  2.54505840874424 Angstroms
sigma value = 39


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

Energy: 0.659300375505423
Energy: 0.6794133507399909
Energy: 0.6915713576112585
Energy: 0.6794218305013345
Energy: 0.6593003755042892
Energy: 0.6794133507407467
Energy: 0.6711966954345683
Energy: 0.655548495043912
Energy: 0.6615483052065836
Energy: 0.6217601732429537
Energy: 0.6622352521719002
Energy: 0.6555484950431562
Energy: 0.6615483052065836
Energy: 0.6217601732410639
Energy: 0.6593408513562117
Energy: 0.6247407313700746
Energy: 0.6589651654895265
Energy: 0.6406518985332572
Energy: 0.6593408513577236
Energy: 0.6247407313700746
Energy: 0.6589651654902825
Energy: 0.6513424621704056
Energy: 0.6616803929757485
Energy: 0.6225227311759866
Energy: 0.6832787384750851
Energy: 0.6513424621722611
Energy: 0.6616803929727247
Energy: 0.6225227311767425
Energy: 0.6686337513412638
Energy: 0.6391165508212034
Energy: 0.6615669392275092
Energy: 0.6406587342587947
Energy: 0.668633751339374
Energy: 0.6391165508212034
Energy: 0.6630302499730376
Energy: 0.6472282595985374
Energy: 0.6385682902524124
Energy: 0.661196922043373
Energy: 0.6695421460376821
Energy: 0.6472282595996712
Energy: 0.6385682902520343
Energy: 0.6611969220429951
Energy: 0.7148860723755192
Energy: 0.6398317050496884
Energy: 0.6369832218817411
Energy: 0.6401796473005508
Energy: 0.714886072376275
Energy: 0.6398317050493104
Energy: 0.6407824883276336
Energy: 0.6475979041605298
Energy: 0.6641339179934199
Energy: 0.6823255248610051
Energy: 0.6641193900320406
Energy: 0.6475979041620417
Energy: 0.6641339179941759
Energy: 0.6823255248613831
Energy: 0.7148950953746461
Energy: 0.6401889179657272
Energy: 0.656452520347461
Energy: 0.639820117570841
Energy: 0.7148950953735123
Energy: 0.6401889179679952
Energy: 0.6564525203497289
Energy: 0.6472152837876739
Energy: 0.6695654220064462
Energy: 0.6612017603054512
Energy: 0.638561440331314
Energy: 0.6472152837888079
Energy: 0.6695654220041783
Energy: 0.6612017603050734
Energy: 0.668485958789816
Energy: 0.640661864908879
Energy: 0.6665525092909331
Energy: 0.6391476830116813
Energy: 0.668485958790194
Energy: 0.6406618649096352
Energy: 0.6644680769231255
Energy: 0.6513235372441994
Energy: 0.6834978274798913
Energy: 0.6226403340350832
Energy: 0.6615201578594777
Energy: 0.6513235372445775
Energy: 0.6834978274795135
Energy: 0.6226403340350832
Energy: 0.6593296478291621
Energy: 0.640697943399656
Energy: 0.6676761530216458
Energy: 0.6247967825076652
Energy: 0.659329647831052
Energy: 0.6406979434007898
Energy: 0.6676761530201338
Energy: 0.6555996788384385
Energy: 0.6622687020502938
Energy: 0.6217501678599917
Energy: 0.6615722949157232
Energy: 0.6555996788399505
Energy: 0.6622687020510497
Energy: 0.6217501678596136
Energy: 0.659300375506557
Energy: 0.6794133507399909
Energy: 0.6755038774941171
Energy: 0.6794218305017123
Energy: 0.6593003755046671
Energy: 0.6794133507399909
Energy: 0.6711966954345683
Energy: 0.655548495043912
Energy: 0.6615483052073394
Energy: 0.6217601732429537
Energy: 0.6622352521722781
Energy: 0.6555484950431562
Energy: 0.6615483052077176
Energy: 0.6217601732410639
Energy: 0.6593408513565896
Energy: 0.6247407313704526
Energy: 0.6589651654902825
Energy: 0.6406518985336351
Energy: 0.6593408513569676
Energy: 0.6247407313708306
Energy: 0.6589651654899045
Energy: 0.6513424621704056
Energy: 0.6616803929749927
Energy: 0.6225227311763646
Energy: 0.6832787384754629
Energy: 0.6513424621722611
Energy: 0.6616803929723467
Energy: 0.6225227311774986
Energy: 0.6686337513408859
Energy: 0.6391165508204476
Energy: 0.6587871829155535
Energy: 0.6406587342584167
Energy: 0.668633751338618
Energy: 0.6391165508200696
Energy: 0.6587871829189552
Energy: 0.6472282595981594
Energy: 0.6385682902524124
Energy: 0.6611969220429951
Energy: 0.6695421460373042
Energy: 0.6472282595996712
Energy: 0.6385682902524124
Energy: 0.6611969220437509
Energy: 0.7148860723758971
Energy: 0.6398317050493104
Energy: 0.6407824883249876
Energy: 0.6401796473005508
Energy: 0.714886072376275
Energy: 0.6398317050493104
Energy: 0.6407824883280114
Energy: 0.6475979041601518
Energy: 0.6641339179934199
Energy: 0.6823255248606271
Energy: 0.6641193900320406
Energy: 0.6475979041624196
Energy: 0.6641339179945539
Energy: 0.6823255248610051
Energy: 0.7148950953742682
Energy: 0.6401889179657272
Energy: 0.6437887330088251
Energy: 0.6398201175700851
Energy: 0.7148950953735123
Energy: 0.640188917967617
Energy: 0.643788733010337
Energy: 0.6472152837872961
Energy: 0.6695654220064462
Energy: 0.6612017603050734
Energy: 0.6385614403309361
Energy: 0.6472152837891859
Energy: 0.6695654220034223
Energy: 0.6612017603065852
Energy: 0.6684859587909499
Energy: 0.6406618649085012
Energy: 0.6613774123667078
Energy: 0.6391476830116813
Energy: 0.668485958790194
Energy: 0.640661864908879
Energy: 0.6613774123674638
Energy: 0.6513235372438215
Energy: 0.6834978274795135
Energy: 0.6226403340350832
Energy: 0.6615201578606116
Energy: 0.6513235372445775
Energy: 0.6834978274798913
Energy: 0.6226403340358391
Energy: 0.6593296478299181
Energy: 0.6406979434000339
Energy: 0.6626574595801348
Energy: 0.6247967825080434
Energy: 0.6593296478318079
Energy: 0.6406979434007898
Energy: 0.6626574595790009
Energy: 0.6555996788388165
Energy: 0.6622687020499158
Energy: 0.6217501678603696
Energy: 0.6615722949161011
Energy: 0.6555996788407064
Energy: 0.6622687020510497
Energy: 0.6217501678596136
Energy: 0.659300375505423
Energy: 0.6794133507399909
Energy: 0.6711966954368361
Energy: 0.6794218305013345
Energy: 0.659300375506179
Energy: 0.6794133507403688
Energy: 0.6711966954334343
Energy: 0.6555484950442901
Energy: 0.6615483052069615
Energy: 0.6217601732433318
Energy: 0.6622352521722781
Energy: 0.6555484950435341
Energy: 0.6615483052069615
Energy: 0.6217601732410639

minimum gb energy = 0.6217501678596136 eV
minimum distance =  2.6244913598836 Angstroms
sigma value = 21


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

Energy: 0.671446277008795
Energy: 0.7286155939584644
Energy: 0.6969285466233512
Energy: 0.7288004378254986
Energy: 0.671446277008795
Energy: 0.7286155939580057
Energy: 0.6514277230345229
Energy: 0.6757146414442139
Energy: 0.6680479966622787
Energy: 0.6443490167609349
Energy: 0.6680046735669384
Energy: 0.6757146414442139
Energy: 0.6680479966622787
Energy: 0.6443490167609349
Energy: 0.6747557509514142
Energy: 0.6646016769439155
Energy: 0.6765640141029521
Energy: 0.6661031117871838
Energy: 0.6747557509504964
Energy: 0.6646016769434566
Energy: 0.6765640141038698
Energy: 0.6620282029225848
Energy: 0.6693130060106566
Energy: 0.6512873782214178
Energy: 0.6547584732355176
Energy: 0.6620282029216672
Energy: 0.6693130060106566
Energy: 0.6512873782214178
Energy: 0.6548215717306558
Energy: 0.6268758402477539
Energy: 0.6497534952856179
Energy: 0.6758236724022303
Energy: 0.6548215717297381
Energy: 0.6268758402468363
Energy: 0.6497534952856179
Energy: 0.6621818255043256
Energy: 0.6355994142495552
Energy: 0.717080776768316
Energy: 0.6616033192099938
Energy: 0.6621818255038667
Energy: 0.6355994142500141
Energy: 0.7170807767687749
Energy: 0.6541814888498262
Energy: 0.6898936564308517
Energy: 0.6499183190914645
Energy: 0.6659499241986377
Energy: 0.6541814888479909
Energy: 0.6898936564299339
Energy: 0.6499183190900878
Energy: 0.6682387620720381
Energy: 0.6461204330072395
Energy: 0.721902517038868
Energy: 0.6589669617035524
Energy: 0.6682387620711204
Energy: 0.6461204330063218
Energy: 0.721902517038868
Energy: 0.6539968115643751
Energy: 0.6619634706814101
Energy: 0.6627525629865668
Energy: 0.7113999739004524
Energy: 0.6539968115643751
Energy: 0.6619634706804922
Energy: 0.6627525629865668
Energy: 0.6547055284171167
Energy: 0.6703299336633713
Energy: 0.6541810507219524
Energy: 0.6591722805491467
Energy: 0.6547055284171167
Energy: 0.6703299336647479
Energy: 0.65418105072287
Energy: 0.699947618741772
Energy: 0.7048110694493983
Energy: 0.6633821408439183
Energy: 0.6510123323460393
Energy: 0.6999476187431486
Energy: 0.7048110694493983
Energy: 0.6633821408452948
Energy: 0.6300626999061447
Energy: 0.6488973147780956
Energy: 0.6488910232726831
Energy: 0.6503205144171093
Energy: 0.6300626999056859
Energy: 0.6488973147776369
Energy: 0.6488910232726831
Energy: 0.7091011099334155
Energy: 0.6508361742592957
Energy: 0.6559097142825829
Energy: 0.6577351564623503
Energy: 0.7091011099334155
Energy: 0.6508361742611309
Energy: 0.6559097142816652
Energy: 0.6336440520425418
Energy: 0.6488529939571145
Energy: 0.6527357984861558
Energy: 0.6335231629280924
Energy: 0.6336440520425418
Energy: 0.6488529939561968
Energy: 0.6527357984866147
Energy: 0.6982036400105963
Energy: 0.6423455690548505
Energy: 0.6560661076345995
Energy: 0.6572159240461003
Energy: 0.6982036400110553
Energy: 0.6423455690534741
Energy: 0.6560661076345995
Energy: 0.6295721726374633
Energy: 0.6921275807255485
Energy: 0.6527423099054928
Energy: 0.6434025552018683
Energy: 0.6295721726374633
Energy: 0.6921275807260072
Energy: 0.6527423099068693
Energy: 0.6978014505100082
Energy: 0.642282687076982
Energy: 0.6514883184904772
Energy: 0.6569057502636207
Energy: 0.6978014505100082
Energy: 0.642282687076523
Energy: 0.6514883184918536
Energy: 0.6295292617422535
Energy: 0.6716545858107468
Energy: 0.6588346420756712
Energy: 0.6512258072894765
Energy: 0.6295292617431713
Energy: 0.6716545858112056
Energy: 0.6588346420761301
Energy: 0.6779823241685061
Energy: 0.6422569933397988
Energy: 0.6751107207943213
Energy: 0.6482690605579038
Energy: 0.6779823241671296
Energy: 0.6422569933402577
Energy: 0.6751107207938625
Energy: 0.6298601976741338
Energy: 0.6913664108015617
Energy: 0.6430763373432221
Energy: 0.6914112875156495
Energy: 0.6298601976722984
Energy: 0.6913664108015617
Energy: 0.643076337343681
Energy: 0.6779834960111066
Energy: 0.6485956031014477
Energy: 0.7047888088159292
Energy: 0.6423426968653109
Energy: 0.6779834960111066
Energy: 0.6485956031000712
Energy: 0.7047888088173058
Energy: 0.6295399649635062
Energy: 0.6512595010624551
Energy: 0.659035444533999
Energy: 0.671744551529415
Energy: 0.6295399649621296
Energy: 0.6512595010629139
Energy: 0.659035444533999
Energy: 0.6977944912096886
Energy: 0.6569176260906263
Energy: 0.6514297003994831
Energy: 0.6422287086441297
Energy: 0.6977944912101474
Energy: 0.6569176260906263
Energy: 0.6514297004004008
Energy: 0.6295639982695965
Energy: 0.6433540021205277
Energy: 0.6527946203324575
Energy: 0.6921474983158358
Energy: 0.6295639982700553
Energy: 0.6433540021200689
Energy: 0.6527946203329164
Energy: 0.6981363274119569
Energy: 0.6570449308880489
Energy: 0.6451353381125934
Energy: 0.6423323934573896
Energy: 0.6981363274124157
Energy: 0.6570449308880489
Energy: 0.7278075145723107

minimum gb energy = 0.6268758402468363 eV
minimum distance =  2.51503685440729 Angstroms
sigma value = 113


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

Energy: 0.6717159109171774
Energy: 0.7083086011036617
Energy: 0.6660934410380153
Energy: 0.707970005565918
Energy: 0.671715910914896
Energy: 0.7083086011044533
Energy: 0.6789653120097193
Energy: 0.7106515291496474
Energy: 0.6880296677732449
Energy: 0.6669754671018571
Energy: 0.6877948213167523
Energy: 0.7106515291496474
Energy: 0.6880296677724536
Energy: 0.6669754671031607
Energy: 0.6714919555649441
Energy: 0.680195036496304
Energy: 0.70812363687454
Energy: 0.6812135424535084
Energy: 0.6714919554556222
Energy: 0.680195036497561
Energy: 0.7081236368755642
Energy: 0.6500822818178529
Energy: 0.6881210824441039
Energy: 0.6936200223452939
Energy: 0.6760181697955305
Energy: 0.6500822818158044
Energy: 0.6881210824461526
Energy: 0.6936200223417088
Energy: 0.6912800125818989
Energy: 0.6479181004305009
Energy: 0.6750440419983039
Energy: 0.6545883817746531
Energy: 0.6912800125790587
Energy: 0.6479181004318046
Energy: 0.6750440420005853
Energy: 0.6533330980161647
Energy: 0.6708312890535251
Energy: 0.7439551283627316
Energy: 0.6504029359895644
Energy: 0.6533330980177012
Energy: 0.6708312890525008
Energy: 0.7439551283619401
Energy: 0.6479228889634988
Energy: 0.65431390296296
Energy: 0.6830029512948453
Energy: 0.6512953796123464
Energy: 0.6479228889652682
Energy: 0.6543139029631928
Energy: 0.6830029512966146
Energy: 0.6542641687986215
Energy: 0.678404118408159
Energy: 0.725382407060116
Energy: 0.6454648797192917
Energy: 0.6542641687940122
Energy: 0.6784041184109524
Energy: 0.7253824070544823
Energy: 0.6475576122343467
Energy: 0.6589713261611584
Energy: 0.7070978732749522
Energy: 0.6440037625458453
Energy: 0.6475576122307617
Energy: 0.6589713261591099
Energy: 0.7070978732710879
Energy: 0.6372921853769622
Energy: 0.6780512463025657
Energy: 0.6854771094995612
Energy: 0.6694652251799473
Energy: 0.6372921853757052
Energy: 0.6780512462997257
Energy: 0.6854771094985368
Energy: 0.6480669633113347
Energy: 0.6718656859417884
Energy: 0.7195987352971862
Energy: 0.6597663488603734
Energy: 0.6480669633100776
Energy: 0.6718656859453735
Energy: 0.7195987353010506
Energy: 0.637313528449958
Energy: 0.6619254704058858
Energy: 0.7227280766514297
Energy: 0.6625641456887672
Energy: 0.6373135284535432
Energy: 0.661925470407655
Energy: 0.7227280766506381
Energy: 0.6672581074004225
Energy: 0.6656695304040541
Energy: 0.7095790238094757
Energy: 0.6656939363995209
Energy: 0.6672581073999102
Energy: 0.665669530404799
Energy: 0.7095790238099878
Energy: 0.6706671584693723
Energy: 0.6829525736038233
Energy: 0.7497530874971914
Energy: 0.6782150514264081
Energy: 0.6706671584688599
Energy: 0.6829525736084328
Energy: 0.7497530874958876
Energy: 0.667416363048683
Energy: 0.6648494866490643
Energy: 0.7386075531097069
Energy: 0.6896908145847813
Energy: 0.6674163630491952
Energy: 0.6648494866467828
Energy: 0.7386075531071461
Energy: 0.6710974326223512
Energy: 0.6644023166259042
Energy: 0.7075301666484446
Energy: 0.6628853749077804
Energy: 0.6710974326200233
Energy: 0.6644023166266958
Energy: 0.7075301666522623
Energy: 0.7044324669950952
Energy: 0.6656017182974066
Energy: 0.7447269054590798
Energy: 0.6589988787196212
Energy: 0.7044324669956075
Energy: 0.665601718298431
Energy: 0.7447269054611285
Energy: 0.6445222581637394
Energy: 0.6682948276160845
Energy: 0.7013174986202341
Energy: 0.6640476480813795
Energy: 0.644522258162715
Energy: 0.6682948276160845
Energy: 0.7013174986200011
Energy: 0.7046270092364426
Energy: 0.6827702442181487
Energy: 0.6979419728270472
Energy: 0.6789920731008713
Energy: 0.7046270092333696
Energy: 0.6827702442173571
Energy: 0.7080462090677982
Energy: 0.6327816395734411
Energy: 0.6867688231900028
Energy: 0.7056752491796116
Energy: 0.6313868133552065
Energy: 0.6327816395734411
Energy: 0.686768823191772
Energy: 0.7056752491813809
Energy: 0.6474001433814245
Energy: 0.6506935288833946
Energy: 0.7143572906199024
Energy: 0.6985976813137241
Energy: 0.6474001433783515
Energy: 0.6506935288818582
Energy: 0.7143572906193902
Energy: 0.6318898592833603
Energy: 0.6607837871245497
Energy: 0.6904384000927625
Energy: 0.6472991757764364
Energy: 0.6318898592830811
Energy: 0.6607837871240376
Energy: 0.6904384000904811
Energy: 0.6546324158261457
Energy: 0.6324210600672853
Energy: 0.732178878794568
Energy: 0.6959739032121447
Energy: 0.6546324158253543
Energy: 0.6324210600688216
Energy: 0.7321788787909829
Energy: 0.671132020816227
Energy: 0.664117438120733
Energy: 0.6865786013817076
Energy: 0.6474784191445151
Energy: 0.6711320208141783
Energy: 0.6641174381204534
Energy: 0.6865786013804039
Energy: 0.6564263558860457
Energy: 0.6737682273256181
Energy: 0.7051334834124181
Energy: 0.720882812206138
Energy: 0.6564263558868373
Energy: 0.673768227325106
Energy: 0.7051334834075293
Energy: 0.6771810871951842
Energy: 0.6909104466993848
Energy: 0.712902334358662
Energy: 0.6718554989199953
Energy: 0.6771810871890384
Energy: 0.6909104467027372
Energy: 0.7129023343612227
Energy: 0.6975253512409169
Energy: 0.669816004456365
Energy: 0.6687884265214217
Energy: 0.7089221132238209
Energy: 0.6975253512414289
Energy: 0.6698160044530127
Energy: 0.6687884265193732
Energy: 0.665815218400829
Energy: 0.7269883029419646
Energy: 0.7196286513307508
Energy: 0.6981010853614079
Energy: 0.6658152183970112
Energy: 0.7269883029435011
Energy: 0.7196286513287022
Energy: 0.6969502276606853
Energy: 0.6703926834280258
Energy: 0.7092630382078673
Energy: 0.7060203791915308
Energy: 0.6969502276571001
Energy: 0.6703926834272342
Energy: 0.709263038207588
Energy: 0.6650431215522328
Energy: 0.6917786219948451
Energy: 0.693866666581589
Energy: 0.7035292134582888
Energy: 0.6650431215542814
Energy: 0.6917786219941001
Energy: 0.693866666578004
Energy: 0.6489477058677856
Energy: 0.6701640613636485
Energy: 0.7172471057562614
Energy: 0.7236066319305425
Energy: 0.6489477058680185
Energy: 0.6701640613615999
Energy: 0.71724710575547
Energy: 0.6651710662181975
Energy: 0.6470708785954034
Energy: 0.6691690865945239
Energy: 0.6659260650799333
Energy: 0.6651710662194545
Energy: 0.6470708785946584
Energy: 0.6691690865934996
Energy: 0.6487202583159866
Energy: 0.6544724966066685
Energy: 0.7325804983449249
Energy: 0.6831909086210659
Energy: 0.6487202583157072
Energy: 0.6544724966022918
Energy: 0.7325804983459492
Energy: 0.6444138678983924
Energy: 0.6458729873000112
Energy: 0.663199363540248
Energy: 0.6429073429806139
Energy: 0.6444138678966232
Energy: 0.6458729873010356
Energy: 0.6631993635384787
Energy: 0.6496135627361044
Energy: 0.6445447008659434
Energy: 0.7224022830258731
Energy: 0.679785129350737
Energy: 0.649613562738898
Energy: 0.6445447008692491
Energy: 0.7224022830282011
Energy: 0.6442610426773884
Energy: 0.6453581662897939
Energy: 0.665295778106317
Energy: 0.6385268539126917
Energy: 0.6442610426776211
Energy: 0.6453581662933789
Energy: 0.6652957781083656
Energy: 0.6476733441490721
Energy: 0.6409899755459044
Energy: 0.688412303670324
Energy: 0.6824157180488009
Energy: 0.6476733441465112
Energy: 0.6409899755446474
Energy: 0.6884123036698118
Energy: 0.6525201638932776
Energy: 0.6475127985145273
Energy: 0.6841831853956375
Energy: 0.6387855379226147
Energy: 0.6525201638927655
Energy: 0.6475127985173209
Energy: 0.6841831853938684
Energy: 0.6475632598748013
Energy: 0.6665212508371093
Energy: 0.7445604814030079
Energy: 0.6796557881398955
Energy: 0.6475632598734976
Energy: 0.6665212508365972
Energy: 0.7445604814022163
Energy: 0.65104956978138
Energy: 0.6736974731084544
Energy: 0.7009511997110944
Energy: 0.6767225117586199
Energy: 0.6510495697790519
Energy: 0.6736974731089665
Energy: 0.7009511997136552
Energy: 0.6962508312852085
Energy: 0.666879962980994
Energy: 0.7640429546092478
Energy: 0.6850533841660374
Energy: 0.6962508312859534
Energy: 0.666879962980994
Energy: 0.7640429546053832
Energy: 0.6678446930691017
Energy: 0.6625042154840488
Energy: 0.7493507864542287
Energy: 0.7031203147863665
Energy: 0.6678446930673325
Energy: 0.6625042154863767
Energy: 0.749350786449852
Energy: 0.6711565492200362
Energy: 0.6669431454792766
Energy: 0.720862327351544
Energy: 0.6858882967683836
Energy: 0.6711565492236212
Energy: 0.666943145474667
Energy: 0.7208623273487039
Energy: 0.6882736675825527
Energy: 0.6656156559401537
Energy: 0.7431724882187286
Energy: 0.6397183881573528
Energy: 0.6882736675838097
Energy: 0.6656156559429472
Energy: 0.7431724882189614
Energy: 0.6444834805415852
Energy: 0.6688146065568072
Energy: 0.717486785464021
Energy: 0.677587739213572
Energy: 0.6444834805426097
Energy: 0.6688146065570401
Energy: 0.7174867854635089

minimum gb energy = 0.6313868133552065 eV
minimum distance =  2.52931717111115 Angstroms
sigma value = 365


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

Energy: 0.6800300793403435
Energy: 0.5225062403037074
Energy: 0.5449067568188343
Energy: 0.5225062403042848
Energy: 0.6800300793391888
Energy: 0.5225062403042848
Energy: 0.6267680980615401
Energy: 0.6800300793397661
Energy: 0.5225062403042848
Energy: 0.6648516580572795
Energy: 0.5225062403037074
Energy: 0.6800300793403435
Energy: 0.5225062403025525
Energy: 0.5924942464348087
Energy: 0.6800300793403435
Energy: 0.5225062403025525
Energy: 0.6162085620764969
Energy: 0.5225062403025525
Energy: 0.6800300793397661
Energy: 0.52250624030313
Energy: 0.5924749283447827
Energy: 0.680030079340921
Energy: 0.5225062403042848
Energy: 0.6141242933632136
Energy: 0.5225062403042848
Energy: 0.6800300793391888
Energy: 0.5225062403048621
Energy: 0.6266451984566986
Energy: 0.6800300793403435
Energy: 0.5225062403037074
Energy: 0.6560842243504283
Energy: 0.5225062403019752
Energy: 0.6800300793403435
Energy: 0.5225062403025525
Energy: 0.5924749283465147
Energy: 0.6800300793397661
Energy: 0.5225062403025525
Energy: 0.5924942464342315
Energy: 0.52250624030313
Energy: 0.6800300793403435
Energy: 0.52250624030313
Energy: 0.5922958032751942
Energy: 0.6800300793403435
Energy: 0.5225062403025525
Energy: 0.6266451984376459
Energy: 0.52250624030313
Energy: 0.680030079340921
Energy: 0.5225062403037074
Energy: 0.62664519844111
Energy: 0.6800300793397661
Energy: 0.5225062403042848
Energy: 0.6993838029953587
Energy: 0.5225062403019752
Energy: 0.6800300793397661
Energy: 0.52250624030313
Energy: 0.5922958033126963
Energy: 0.6800300793403435
Energy: 0.5225062403025525
Energy: 0.5924942464348087
Energy: 0.5225062403037074
Energy: 0.6800300793403435
Energy: 0.52250624030313
Energy: 0.592474928347092
Energy: 0.6800300793414983
Energy: 0.5225062403042848
Energy: 0.6267680980650042
Energy: 0.5225062403037074
Energy: 0.6800300793397661
Energy: 0.5225062403042848
Energy: 0.6267680980644268
Energy: 0.6800300793391888
Energy: 0.52250624030313
Energy: 0.5924749283459374
Energy: 0.5225062403019752
Energy: 0.6800300793397661
Energy: 0.52250624030313
Energy: 0.5924749283482469
Energy: 0.6800300793403435
Energy: 0.5225062403042848
Energy: 0.5924942464336541
Energy: 0.5225062403037074
Energy: 0.6800300793403435
Energy: 0.5225062403037074
Energy: 0.5924942464348087
Energy: 0.6800300793397661
Energy: 0.52250624030313
Energy: 0.5924942464353862
Energy: 0.52250624030313
Energy: 0.6800300793391888
Energy: 0.52250624030313
Energy: 0.5924942464336541
Energy: 0.680030079340921
Energy: 0.5225062403042848
Energy: 0.5924942464348087
Energy: 0.52250624030313
Energy: 0.6800300793403435
Energy: 0.5225062403042848
Energy: 0.5924942464348087
Energy: 0.6800300793397661
Energy: 0.52250624030313
Energy: 0.5924942464342315
Energy: 0.5225062403025525
Energy: 0.6800300793403435
Energy: 0.52250624030313
Energy: 0.5924942464342315
Energy: 0.6800300793403435
Energy: 0.52250624030313
Energy: 0.5924942464342315
Energy: 0.5225062403042848
Energy: 0.6800300793397661
Energy: 0.5225062403037074
Energy: 0.5924942464348087
Energy: 0.6800300793397661
Energy: 0.52250624030313
Energy: 0.5924942464348087
Energy: 0.5225062403019752
Energy: 0.680030079340921
Energy: 0.5225062403025525
Energy: 0.5924942464348087
Energy: 0.6800300793397661
Energy: 0.52250624030313
Energy: 0.5924942464342315
Energy: 0.52250624030313
Energy: 0.6800300793403435
Energy: 0.52250624030313
Energy: 0.5924942464348087
Energy: 0.6800300793403435
Energy: 0.5225062403025525
Energy: 0.5924942464342315
Energy: 0.5225062403042848
Energy: 0.6800300793397661
Energy: 0.5225062403037074
Energy: 0.5924942464336541
Energy: 0.6800300793403435
Energy: 0.5225062403037074
Energy: 0.5924942464342315
Energy: 0.5225062403019752
Energy: 0.6800300793397661
Energy: 0.52250624030313
Energy: 0.5924942464330768

minimum gb energy = 0.5225062403019752 eV
minimum distance =  2.66159898998607 Angstroms
sigma value = 23