Model name: model_name=MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_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=4.049998879432679
cohesive_energy=3.360254209517775
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: 0.012698947791501323
Energy: 0.3554544900456486
Energy: 0.6501371692998501
Energy: 0.35495425166781175
Energy: 0.01269894779229469
Energy: 0.35545449004524066
Energy: 0.29665619230053186
Energy: 0.47854700889179497
Energy: 0.012953029270086487
Energy: 0.14577440903817424
Energy: 0.013004012162682738
Energy: 0.47854700889238433
Energy: 0.012953029270471835
Energy: 0.1457744090379702
Energy: 0.012698947791501323
Energy: 0.3554544900456486
Energy: 0.6501371693002355
Energy: 0.3549542516679931
Energy: 0.01269894779229469
Energy: 0.35545449004544466
Energy: 0.29665619230032786
Energy: 0.47854700889179497
Energy: 0.012953029270290496
Energy: 0.14577440903817424
Energy: 0.013004012162886746
Energy: 0.47854700889258833
Energy: 0.012953029270086487
Energy: 0.1457744090385596
Energy: 0.012698947791501323
Energy: 0.35545449004544466
Energy: 0.29665619230053186
Energy: 0.35495425166781175
Energy: 0.01269894779229469
Energy: 0.3554544900456486
Energy: 0.29665619229991985
Energy: 0.47854700889179497
Energy: 0.012953029270290496
Energy: 0.1457744090379702
Energy: 0.013004012162886746
Energy: 0.47854700889238433
Energy: 0.012953029270086487
Energy: 0.14577440903817424

minimum gb energy = 0.012698947791501323 eV
minimum distance =  2.84042177166887 Angstroms
sigma value = 5


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

Energy: 0.7094658234730269
Energy: 0.7382534812422458
Energy: 0.8190562157752518
Energy: 0.7698978099292675
Energy: 0.7094658234754638
Energy: 0.7382534812373719
Energy: 0.808579838724877
Energy: 0.6599336518474787
Energy: 0.6846500280774668
Energy: 0.7649911898263723
Energy: 0.6935396213646156
Energy: 0.6599336518474787
Energy: 0.6846500280774668
Energy: 0.7649911898239353
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Energy: 0.6436437290217545
Energy: 0.8028879139069207
Energy: 0.672655226260793
Energy: 0.6662323981799364
Energy: 0.6436437290193175
Energy: 0.8028879139093578
Energy: 0.6885611545301736
Energy: 0.6942040752156662
Energy: 0.780473962843511
Energy: 0.6510956410981328
Energy: 0.6885611545277367
Energy: 0.6942040752205402
Energy: 0.7804739628459479
Energy: 0.6675586860048977
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Energy: 0.8227942214218112
Energy: 0.6682231057349545
Energy: 0.6675586860048977
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Energy: 0.7161336107221141
Energy: 0.6790113888632123
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Energy: 0.6856146065000917
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Energy: 0.8112933230152628
Energy: 0.7797754858679313
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Energy: 0.7103524187601775
Energy: 0.8112933230201367
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Energy: 0.6631379344810188
Energy: 0.7616666601872221
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Energy: 0.6902889746562211
Energy: 0.6631379344810188
Energy: 0.761666660184785
Energy: 0.7096973461381447
Energy: 0.6692412460856565
Energy: 0.8121044147877975
Energy: 0.6869955612791093
Energy: 0.7096973461381447
Energy: 0.6692412460856565
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Energy: 0.7359515109359527
Energy: 0.7118703363364638
Energy: 0.7999913255351939
Energy: 0.7324272639130638
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Energy: 0.8211615667278528
Energy: 0.670231178120157
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Energy: 0.6479383310885398
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Energy: 0.6392571180793093
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Energy: 0.6485229771272426
Energy: 0.6530417963957768
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Energy: 0.6690460371569107
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Energy: 0.6420609423483477
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Energy: 0.7399719153388747
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Energy: 0.7744650290177458
Energy: 0.6872447894669574
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Energy: 0.7455989555016539
Energy: 0.6838180559384802
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Energy: 0.7985391985676651
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Energy: 0.7985391985676651
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Energy: 0.736562161003101
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Energy: 0.6824093394039572
Energy: 0.6647288037039707
Energy: 0.736562160998227
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Energy: 0.6588107757665278
Energy: 0.7907739731728322
Energy: 0.6660819827045892
Energy: 0.6864766300049178
Energy: 0.6588107757665278
Energy: 0.7907739731752692
Energy: 0.7411343679421147
Energy: 0.6855678655817408
Energy: 0.7937414023033391
Energy: 0.7047694554673027
Energy: 0.7411343679396778
Energy: 0.6855678655841778
Energy: 0.7937414023033391
Energy: 0.676257945653083
Energy: 0.663188523381897
Energy: 0.7938790665261968
Energy: 0.6983975148065741
Energy: 0.6762579456506459
Energy: 0.66318852337946
Energy: 0.7938790665261968
Energy: 0.6409058443271108
Energy: 0.6556035504099013
Energy: 0.8134262530184574
Energy: 0.6671997213693398
Energy: 0.6409058443271108
Energy: 0.6556035504147751
Energy: 0.8134262530160205
Energy: 0.6643592829163224
Energy: 0.679220966961458
Energy: 0.8152429806163238
Energy: 0.7083367852091466
Energy: 0.6643592829163224
Energy: 0.679220966961458
Energy: 0.8152429806163238
Energy: 0.6374516623826955
Energy: 0.6852128080632297
Energy: 0.7327656150789025
Energy: 0.6406733331051895
Energy: 0.6374516623875695
Energy: 0.6852128080632297
Energy: 0.7327656150789025

minimum gb energy = 0.6348506808676596 eV
minimum distance =  2.47657333050148 Angstroms
sigma value = 401


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

Energy: 0.7168012199505212
Energy: 0.653754311671883
Energy: 0.7858485725874104
Energy: 0.6705587086809993
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Energy: 0.7278138298937465
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Energy: 0.8132110958726102
Energy: 0.6541300985963548
Energy: 0.6924111841310522
Energy: 0.648825546309448
Energy: 0.8132110958726102
Energy: 0.6885483240967591
Energy: 0.6576654833756922
Energy: 0.7793211458810861
Energy: 0.6548430824542554
Energy: 0.6885483240973123
Energy: 0.6576654833751389
Energy: 0.7793211458818908
Energy: 0.6561490908113623
Energy: 0.6840363165237763
Energy: 0.7489423804957487
Energy: 0.6415017745473903
Energy: 0.6561490908116139
Energy: 0.6840363165248827
Energy: 0.7502045414506716
Energy: 0.6459588706526261
Energy: 0.7527414921064355
Energy: 0.7628048600208155
Energy: 0.6909155800082275
Energy: 0.6459588706528776
Energy: 0.7527414921056308
Energy: 0.7084745642335162
Energy: 0.6462695485436867
Energy: 0.7256119703460677
Energy: 0.7093870276537831
Energy: 0.693958637826357
Energy: 0.6462695485439884
Energy: 0.7256119703460677
Energy: 0.6845257281452269
Energy: 0.6789209609274023
Energy: 0.6768980023219602
Energy: 0.8042753134712572
Energy: 0.6794966170802962
Energy: 0.6789209609260444
Energy: 0.6768980023216584
Energy: 0.7647326613459247
Energy: 0.6632266812574727
Energy: 0.7013052718338779
Energy: 0.8254877760430371
Energy: 0.6628463282572241
Energy: 0.6632266812591324
Energy: 0.7013052718338779
Energy: 0.8358058600667234
Energy: 0.6967441878857926
Energy: 0.6537543116721346
Energy: 0.8170023859600364
Energy: 0.6705587086801444
Energy: 0.6967441878857926
Energy: 0.653754311673241
Energy: 0.8218612119129717
Energy: 0.67922837878237
Energy: 0.6934241045328491
Energy: 0.7817842762671489
Energy: 0.69330580558134
Energy: 0.6792283787818166
Energy: 0.6934241045322957
Energy: 0.7817842762668471

minimum gb energy = 0.6415017745471389 eV
minimum distance =  2.54608901522656 Angstroms
sigma value = 311


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

Energy: 0.7435212717004052
Energy: 0.6820474999473517
Energy: 0.7957730383619114
Energy: 0.6836026537131289
Energy: 0.7435212716997663
Energy: 0.6820474999473517
Energy: 0.8529908816257042
Energy: 0.7166960468848058
Energy: 0.7283089574796556
Energy: 0.7375704299306594
Energy: 0.7198213423810279
Energy: 0.7166960468844863
Energy: 0.7283089574793362
Energy: 0.7375704299303399
Energy: 0.6933878362226873
Energy: 0.7029940715627404
Energy: 0.8012661856741043
Energy: 0.6820018703097597
Energy: 0.693387836222368
Energy: 0.7029940715627404
Energy: 0.7694146623249446
Energy: 0.6798730452066865
Energy: 0.6820617934156635
Energy: 0.75309640890479
Energy: 0.6755000588730445
Energy: 0.6798730452066865
Energy: 0.682061793415344
Energy: 0.75309640890479
Energy: 0.7047583249706361
Energy: 0.7023504171789714
Energy: 0.8059076837677844
Energy: 0.6862746826264757
Energy: 0.7047583249699972
Energy: 0.702350417178652
Energy: 0.8041329017550795
Energy: 0.6818290904970433
Energy: 0.68484218509197
Energy: 0.7555240540882306
Energy: 0.6742063308267016
Energy: 0.681829090496724
Energy: 0.6848421850922894
Energy: 0.7555240540882306
Energy: 0.6901963518729963
Energy: 0.7446160396462513
Energy: 0.7350819785654541
Energy: 0.7145134218254817
Energy: 0.6901963518729963
Energy: 0.7446160396456125
Energy: 0.7350819785654541
Energy: 0.6728878451743102
Energy: 0.6813607819669475
Energy: 0.8178818262788619
Energy: 0.6724635259577944
Energy: 0.6728878451743102
Energy: 0.6813607819669475
Energy: 0.8178818262791812
Energy: 0.6771936331217797
Energy: 0.6691202184125401
Energy: 0.8340014035491445
Energy: 0.7309375178431714
Energy: 0.6771936331217797
Energy: 0.6691202184125401
Energy: 0.834001403549464
Energy: 0.6928557444111132
Energy: 0.7101919838133757
Energy: 0.7862170973329365
Energy: 0.7554314588040009
Energy: 0.6928557444107938
Energy: 0.7101919838130564
Energy: 0.7862170973326172
Energy: 0.6996858843061506
Energy: 0.7056991041661854
Energy: 0.7764846005549029
Energy: 0.6846793183474449
Energy: 0.6996858843058313
Energy: 0.7056991041655466
Energy: 0.7764846005558466
Energy: 0.7070818903268548
Energy: 0.7000334652546508
Energy: 0.7366308553879674
Energy: 0.695878898354717
Energy: 0.7070818903271741
Energy: 0.7000334652540119
Energy: 0.7366308553889256
Energy: 0.6872663653659048
Energy: 0.691381255304234
Energy: 0.7382428024693685
Energy: 0.705414926078541
Energy: 0.6872663653655853
Energy: 0.6913812553045534
Energy: 0.738242802469049
Energy: 0.6686684721097598
Energy: 0.6840510061525127
Energy: 0.8309846758830077
Energy: 0.6746872360420847
Energy: 0.6686684721097598
Energy: 0.6840510061518739
Energy: 0.8309846758823688
Energy: 0.6867471829212898
Energy: 0.714102229012999
Energy: 0.7380035871282262
Energy: 0.6940563509417025
Energy: 0.686747182922248
Energy: 0.7141022290123602
Energy: 0.7380035871288649
Energy: 0.7041105199345522
Energy: 0.6960831119455012
Energy: 0.7479745035565397
Energy: 0.701901558692095
Energy: 0.7041105199342329
Energy: 0.6960831119448625
Energy: 0.7479745035568591
Energy: 0.716126667931321
Energy: 0.6803249804410257
Energy: 0.7563740793691264
Energy: 0.6901347105015821
Energy: 0.7161266679310017
Energy: 0.6803249804403869
Energy: 0.7563740793694458
Energy: 0.7080326499145083
Energy: 0.7559390429005659
Energy: 0.7787623174686775
Energy: 0.6984020846520894
Energy: 0.7080326499138696
Energy: 0.7559390429008852
Energy: 0.7787623174686775
Energy: 0.6783716758948793
Energy: 0.7309662434889934
Energy: 0.7906752414089537
Energy: 0.6720973740268784
Energy: 0.6783716758951986
Energy: 0.7309662434893128
Energy: 0.7906752414089537
Energy: 0.675598788019408
Energy: 0.6858591717580638
Energy: 0.8306513337843677
Energy: 0.6802186650001012
Energy: 0.675598788019408
Energy: 0.6858591717583832
Energy: 0.8306513337853261
Energy: 0.6857279507651995
Energy: 0.7262373659189713
Energy: 0.7399367789347476
Energy: 0.7448429717399813
Energy: 0.6857279507658383
Energy: 0.726237365918013
Energy: 0.7399367789341089
Energy: 0.6836404473672673
Energy: 0.6832274743167959
Energy: 0.7924854280555282
Energy: 0.6859113232550864
Energy: 0.683640447366948
Energy: 0.6832274743167959
Energy: 0.792485428056167
Energy: 0.7259780278430584
Energy: 0.6862188707890164
Energy: 0.7860628818610956
Energy: 0.7192044310318614
Energy: 0.725978027842739
Energy: 0.6862188707896552
Energy: 0.7860628818601373
Energy: 0.6811691295805801
Energy: 0.6910166930849336
Energy: 0.7730463443236594
Energy: 0.7011230527749976
Energy: 0.6811691295815383
Energy: 0.6910166930855726
Energy: 0.7730463443233399
Energy: 0.7019711246579085
Energy: 0.6874501173332375
Energy: 0.8061498723714687
Energy: 0.6859197644326043
Energy: 0.7019711246579085
Energy: 0.6874501173325986
Energy: 0.8061498723714687
Energy: 0.7083303635106986
Energy: 0.7198108227811172
Energy: 0.7757693669022907
Energy: 0.7295749832015826
Energy: 0.7083303635116568
Energy: 0.7198108227814366
Energy: 0.7757693669022907
Energy: 0.730303046490477
Energy: 0.6793083767545112
Energy: 0.868359974684986
Energy: 0.6791396059935444
Energy: 0.7303030464911158
Energy: 0.6793083767548304
Energy: 0.868359974685625
Energy: 0.7190727645668727
Energy: 0.7214518926521818
Energy: 0.7478927222017838
Energy: 0.7087288367902469
Energy: 0.7190727645665534
Energy: 0.7214518926518623
Energy: 0.7478927222011451
Energy: 0.7075715424181848
Energy: 0.7066551437162799
Energy: 0.8010476602061593
Energy: 0.686934541698044
Energy: 0.7075715424172264
Energy: 0.7066551437162799
Energy: 0.8010476602061593
Energy: 0.6809189351251569
Energy: 0.6765839417721069
Energy: 0.743147828582864
Energy: 0.6914132547685629
Energy: 0.6809189351254763
Energy: 0.6765839417721069
Energy: 0.743147828582864
Energy: 0.7009555829155165
Energy: 0.7027128304826492
Energy: 0.8246915458486204
Energy: 0.6924739906568897
Energy: 0.7009555829158359
Energy: 0.7027128304836074
Energy: 0.8246915458492593
Energy: 0.6734372759779343
Energy: 0.675711072240976
Energy: 0.7320528230320326
Energy: 0.68893029358076
Energy: 0.6734372759779343
Energy: 0.6757110722400178
Energy: 0.7320528230313937
Energy: 0.6979806889866896
Energy: 0.7353421906430744
Energy: 0.7851682665869175
Energy: 0.7152770976977505
Energy: 0.6979806889866896
Energy: 0.7353421906424354
Energy: 0.7851682665869175
Energy: 0.6746313338175247
Energy: 0.681241685217893
Energy: 0.8191044564728427
Energy: 0.6751957067799462
Energy: 0.6746313338175247
Energy: 0.6812416852175734
Energy: 0.8191044564728427
Energy: 0.6849025552216331
Energy: 0.6662569964083092
Energy: 0.8336971137880851
Energy: 0.6859646693073465
Energy: 0.6849025552219526
Energy: 0.6662569964086286
Energy: 0.8336971137884046
Energy: 0.6936746694374523
Energy: 0.7097179209719409
Energy: 0.7794124900383483
Energy: 0.7552793562765655
Energy: 0.6936746694368133
Energy: 0.7097179209716217
Energy: 0.7794124900386677

minimum gb energy = 0.6662569964083092 eV
minimum distance =  2.52860650888918 Angstroms
sigma value = 39


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

Energy: 0.7074215516601075
Energy: 0.7274193699372997
Energy: 0.799985680646649
Energy: 0.7272955384142623
Energy: 0.7074215516601075
Energy: 0.7274193699365459
Energy: 0.7999856806462721
Energy: 0.6914233795359988
Energy: 0.7049891941930069
Energy: 0.7701554125673382
Energy: 0.7056945024700229
Energy: 0.691423379534491
Energy: 0.704989194192253
Energy: 0.7701554125677152
Energy: 0.7051647950149964
Energy: 0.6993682499499894
Energy: 0.7089668304809933
Energy: 0.7305382808168114
Energy: 0.7051647950138656
Energy: 0.6993682499492355
Energy: 0.7089668304825011
Energy: 0.6915424353454009
Energy: 0.7308553667953261
Energy: 0.7672469772833187
Energy: 0.7620068610810625
Energy: 0.6915424353454009
Energy: 0.7308553667975881
Energy: 0.767246977281057
Energy: 0.7371615370964604
Energy: 0.7070595248566804
Energy: 0.7790387674063186
Energy: 0.7315940488065905
Energy: 0.7371615370972143
Energy: 0.7070595248570574
Energy: 0.7790387674059416
Energy: 0.6918839466171914
Energy: 0.7066001555320699
Energy: 0.8326522653170173
Energy: 0.7786936723649008
Energy: 0.6918839466183224
Energy: 0.7066001555320699
Energy: 0.8326522653192789
Energy: 0.7656554702339886
Energy: 0.7696747966317157
Energy: 0.7095734995133327
Energy: 0.6874387855585449
Energy: 0.7656554702343656
Energy: 0.7696747966313386
Energy: 0.6957317995184469
Energy: 0.6924151594371291
Energy: 0.7158705061028081
Energy: 0.7282702867077151
Energy: 0.7158007064770565
Energy: 0.6924151594363751
Energy: 0.7158705061031851
Energy: 0.7282702867077151
Energy: 0.7656886889919793
Energy: 0.6871083401396085
Energy: 0.7774208843485767
Energy: 0.7690010748084775
Energy: 0.7656886889931103
Energy: 0.6871083401396085
Energy: 0.7636738531190281
Energy: 0.6918782253629572
Energy: 0.7786802248391894
Energy: 0.8325134389532012
Energy: 0.706951994501393
Energy: 0.6918782253618262
Energy: 0.7786802248395666
Energy: 0.8325134389562171
Energy: 0.7370631950609141
Energy: 0.7317463290641438
Energy: 0.8532020366968153
Energy: 0.7089526715520568
Energy: 0.7370631950605373
Energy: 0.73174632906339
Energy: 0.8481481129635747
Energy: 0.6916336098011168
Energy: 0.7620356380309747
Energy: 0.7750509382205618
Energy: 0.7308475004235103
Energy: 0.6916336098030017
Energy: 0.7620356380287129
Energy: 0.7750509382213157
Energy: 0.7050979407505886
Energy: 0.7305137082236725
Energy: 0.8437288992093318
Energy: 0.6993443197961356
Energy: 0.7050979407498347
Energy: 0.7305137082251804
Energy: 0.7869265358069337
Energy: 0.6913237831491537
Energy: 0.7055629581783223
Energy: 0.7700636745357821
Energy: 0.7051659719320909
Energy: 0.6913237831480227
Energy: 0.7055629581783223
Energy: 0.770063674535405
Energy: 0.7074215516604844
Energy: 0.7274193699372997
Energy: 0.7999856806474029
Energy: 0.7272955384138854
Energy: 0.7074215516604844
Energy: 0.7274193699369227
Energy: 0.7999856806462721
Energy: 0.6914233795359988
Energy: 0.704989194192253
Energy: 0.7701554125673382
Energy: 0.7056945024703999
Energy: 0.691423379534491
Energy: 0.704989194192253
Energy: 0.7701554125673382
Energy: 0.7051647950142426
Energy: 0.6993682499503664
Energy: 0.7089668304825011
Energy: 0.7305382808164345
Energy: 0.7051647950134885
Energy: 0.6993682499496126
Energy: 0.7089668304825011
Energy: 0.6915424353454009
Energy: 0.7308553667957032
Energy: 0.7672469772825649
Energy: 0.7620068610814396
Energy: 0.6915424353457778
Energy: 0.7308553667972111
Energy: 0.7672469772825649
Energy: 0.7371615370964604
Energy: 0.7070595248566804
Energy: 0.7790387674048107
Energy: 0.7315940488069677
Energy: 0.7371615370972143
Energy: 0.7070595248578113
Energy: 0.7790387674063186
Energy: 0.6918839466175684
Energy: 0.7066001555320699
Energy: 0.8326522653170173
Energy: 0.7786936723652779
Energy: 0.6918839466183224
Energy: 0.706600155531316
Energy: 0.8326522653192789
Energy: 0.7656554702339886
Energy: 0.7696747966324696
Energy: 0.695731799517316
Energy: 0.6874387855596759
Energy: 0.7656554702351196
Energy: 0.7696747966305848
Energy: 0.6957317995188239
Energy: 0.6924151594375061
Energy: 0.7158705061035621
Energy: 0.7282702867077151
Energy: 0.7158007064774335
Energy: 0.692415159436752
Energy: 0.7158705061028081
Energy: 0.7282702867077151
Energy: 0.7656886889919793
Energy: 0.6871083401396085
Energy: 0.7636738531182742
Energy: 0.7690010748092314
Energy: 0.7656886889934871
Energy: 0.6871083401403626
Energy: 0.7636738531190281
Energy: 0.6918782253625801
Energy: 0.7786802248399434
Energy: 0.8325134389535781
Energy: 0.706951994502147
Energy: 0.6918782253618262
Energy: 0.7786802248395666
Energy: 0.8325134389554629
Energy: 0.7370631950612913
Energy: 0.7317463290641438
Energy: 0.7957846350636844
Energy: 0.7089526715516796
Energy: 0.7370631950609141
Energy: 0.73174632906339
Energy: 0.7957846350636844
Energy: 0.6916336098011168
Energy: 0.7620356380302207
Energy: 0.7750509382201848
Energy: 0.7308475004238875
Energy: 0.6916336098033786
Energy: 0.7620356380290898
Energy: 0.7750509382213157
Energy: 0.7050979407520965
Energy: 0.7305137082236725
Energy: 0.7869265358088187
Energy: 0.6993443197961356
Energy: 0.7050979407520965
Energy: 0.7305137082248034
Energy: 0.7869265358076878
Energy: 0.6913237831491537
Energy: 0.7055629581779452
Energy: 0.7700636745357821
Energy: 0.7051659719320909
Energy: 0.6913237831483996
Energy: 0.7055629581790418
Energy: 0.770063674536159
Energy: 0.7074215516608615
Energy: 0.7274193699354149
Energy: 0.7999856806470259
Energy: 0.7272955384146393
Energy: 0.7074215516604844
Energy: 0.7274193699365459
Energy: 0.799985680646649
Energy: 0.6914233795359988
Energy: 0.7049891941926301
Energy: 0.7701554125669613
Energy: 0.7056945024696458
Energy: 0.691423379534491
Energy: 0.7049891941926301
Energy: 0.7701554125677152

minimum gb energy = 0.6871083401396085 eV
minimum distance =  2.54254629090253 Angstroms
sigma value = 21


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

Energy: 0.7299897697496835
Energy: 0.7835061407372836
Energy: 0.7974959970187441
Energy: 0.7835294157156921
Energy: 0.7299897697501412
Energy: 0.7835061407381989
Energy: 0.7974959970178288
Energy: 0.7748582413957145
Energy: 0.7264037681127353
Energy: 0.7376609838666887
Energy: 0.7338785110870161
Energy: 0.7748582413957145
Energy: 0.7264037681118201
Energy: 0.7376609838662309
Energy: 0.732930345275353
Energy: 0.7476093562163366
Energy: 0.7603280011385306
Energy: 0.7337411418054223
Energy: 0.732930345275353
Energy: 0.7476093562167943
Energy: 0.7603280011389884
Energy: 0.768119109844343
Energy: 0.7208659236647602
Energy: 0.7597849854439388
Energy: 0.6970485401976145
Energy: 0.7681191098448007
Energy: 0.7208659236643026
Energy: 0.7597849854425659
Energy: 0.7086700394936762
Energy: 0.7778923154759384
Energy: 0.7276005632830254
Energy: 0.7346973351088183
Energy: 0.7086700394936762
Energy: 0.7778923154750231
Energy: 0.7276005632825678
Energy: 0.7568014857353966
Energy: 0.7208377300605817
Energy: 0.796843593098091
Energy: 0.7506144631771032
Energy: 0.756801485734939
Energy: 0.7208377300610392
Energy: 0.796843593098091
Energy: 0.752262587383629
Energy: 0.78412718029004
Energy: 0.7244446535835843
Energy: 0.7226528156498638
Energy: 0.7522625873850018
Energy: 0.78412718029004
Energy: 0.724444653584042
Energy: 0.730445635869181
Energy: 0.7365692542911574
Energy: 0.7335966758742574
Energy: 0.7250910634037965
Energy: 0.730445635869181
Energy: 0.736569254291615
Energy: 0.7335966758733421
Energy: 0.735905188371738
Energy: 0.7199838686294664
Energy: 0.7269978692715039
Energy: 0.7303911041514117
Energy: 0.7359051883708227
Energy: 0.7199838686294664
Energy: 0.7269978692705886
Energy: 0.7490361684826998
Energy: 0.7286576383029998
Energy: 0.7431632573342231
Energy: 0.7133525942976264
Energy: 0.7490361684826998
Energy: 0.7286576383025422
Energy: 0.7431632573323925
Energy: 0.7429615828535613
Energy: 0.7956675543985554
Energy: 0.77870626403956
Energy: 0.7283442719804246
Energy: 0.742961582854019
Energy: 0.79566755439764
Energy: 0.7787062640386447
Energy: 0.6960573371240975
Energy: 0.7231298463977086
Energy: 0.754569568742305
Energy: 0.7412771060627321
Energy: 0.6960573371250126
Energy: 0.723129846397251
Energy: 0.7545695687413896
Energy: 0.7433425178316468
Energy: 0.7632818785254714
Energy: 0.7801663860470297
Energy: 0.7228328534301085
Energy: 0.7433425178325622
Energy: 0.7632818785254714
Energy: 0.780166386046572
Energy: 0.7505033614277836
Energy: 0.7236901160470961
Energy: 0.8006855533364381
Energy: 0.7413018545259765
Energy: 0.7505033614277836
Energy: 0.7236901160466386
Energy: 0.8006855533368956
Energy: 0.7861586762132283
Energy: 0.733875897648216
Energy: 0.78640796496728
Energy: 0.724650454720146
Energy: 0.7861586762123132
Energy: 0.733875897648216
Energy: 0.7705795685329816
Energy: 0.7114873072216108
Energy: 0.7532386285572621
Energy: 0.734968728458218
Energy: 0.741699110500648
Energy: 0.7114873071506993
Energy: 0.7532386285568043
Energy: 0.7349687284577604
Energy: 0.7736359217387914
Energy: 0.7418839576660722
Energy: 0.8332219460727671
Energy: 0.7246185755159471
Energy: 0.7736359217387914
Energy: 0.7418839576683602
Energy: 0.833221946071852
Energy: 0.7334629700976885
Energy: 0.7421058224880702
Energy: 0.7237570221110713
Energy: 0.7450183789471
Energy: 0.7334629700958579
Energy: 0.7421058224876127
Energy: 0.7237570221106137
Energy: 0.7372324300198028
Energy: 0.7154513910117904
Energy: 0.7844418070281084
Energy: 0.703475881323455
Energy: 0.7372324300193451
Energy: 0.7154513910117904
Energy: 0.784441807028566
Energy: 0.7197925446297717
Energy: 0.728218617013302
Energy: 0.7313629254673101
Energy: 0.7285558253007356
Energy: 0.7197925446311447
Energy: 0.728218617013302
Energy: 0.7313629254673101
Energy: 0.7372196783874181
Energy: 0.7035146658724502
Energy: 0.7844063958581772
Energy: 0.713652385258091
Energy: 0.7372196783883334
Energy: 0.7035146658715349
Energy: 0.7844063958586348
Energy: 0.7321902353935511
Energy: 0.7449990855553393
Energy: 0.7237357692684653
Energy: 0.7421903679848194
Energy: 0.7321902353940088
Energy: 0.744999085555797
Energy: 0.7237357692680286
Energy: 0.7734834258149393
Energy: 0.7245771601990537
Energy: 0.7816140480107355
Energy: 0.7418064787396541
Energy: 0.773483425815397
Energy: 0.7245771601995112
Energy: 0.7816140480098203
Energy: 0.733064120892735
Energy: 0.7417944498965368
Energy: 0.7354604461682148
Energy: 0.7531697164096153
Energy: 0.7330641208913621
Energy: 0.7417944498960792
Energy: 0.73546044616913
Energy: 0.7686494036414464
Energy: 0.7268520600151535
Energy: 0.8208326935374595
Energy: 0.7338784707724417
Energy: 0.7686494036423409
Energy: 0.7268520600165262
Energy: 0.8208326935374595

minimum gb energy = 0.6960573371240975 eV
minimum distance =  2.49103284770702 Angstroms
sigma value = 113


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

Energy: 0.7756019808833122
Energy: 0.759918467219376
Energy: 0.7643970356789657
Energy: 0.7584416084346451
Energy: 0.7756019808841016
Energy: 0.7599184672224407
Energy: 0.7643970356769225
Energy: 0.7679367981499345
Energy: 0.7530191870395452
Energy: 0.7476222982572635
Energy: 0.7837609409451559
Energy: 0.7679367981507239
Energy: 0.7530191870418206
Energy: 0.7476222982585172
Energy: 0.7732822601338983
Energy: 0.7419043443131907
Energy: 0.7607848618412841
Energy: 0.7391073222755936
Energy: 0.7732822601336662
Energy: 0.7419043443137016
Energy: 0.7607848618410055
Energy: 0.7277125862090069
Energy: 0.7535056102589114
Energy: 0.7867051675557161
Energy: 0.7659173998374291
Energy: 0.7277125862110501
Energy: 0.7535056102591899
Energy: 0.7867051675577594
Energy: 0.7625932130106435
Energy: 0.6906152494438572
Energy: 0.7171553592488087
Energy: 0.7306755098916375
Energy: 0.7625932130111543
Energy: 0.6906152494456219
Energy: 0.7171553592488087
Energy: 0.7117727626830127
Energy: 0.7443439475667011
Energy: 0.7860456931686546
Energy: 0.7301581467651604
Energy: 0.7117727626858453
Energy: 0.7443439475672119
Energy: 0.7860456931706977
Energy: 0.7522986621539347
Energy: 0.696144294539979
Energy: 0.7500715406783189
Energy: 0.7235872197385192
Energy: 0.7522986621549561
Energy: 0.6961442945402113
Energy: 0.7500715406754863
Energy: 0.7155876066265914
Energy: 0.7348812805870092
Energy: 0.7608509113810682
Energy: 0.7381795423200429
Energy: 0.7155876066243161
Energy: 0.7348812805872876
Energy: 0.760850911384133
Energy: 0.735177043989558
Energy: 0.7113290249332598
Energy: 0.7734664081576543
Energy: 0.7125580537850619
Energy: 0.7351770439905796
Energy: 0.7113290249325168
Energy: 0.7734664081543572
Energy: 0.7236052736525415
Energy: 0.7216416159468934
Energy: 0.7578051677590639
Energy: 0.7428765738252104
Energy: 0.7236052736556062
Energy: 0.7216416159458717
Energy: 0.7578051677590639
Energy: 0.7439281498920871
Energy: 0.7294803741627177
Energy: 0.8085410038851232
Energy: 0.7249666010810288
Energy: 0.7439281498928766
Energy: 0.7294803741634607
Energy: 0.8085410038869342
Energy: 0.7337250738620009
Energy: 0.7296224231342121
Energy: 0.7953251278808833
Energy: 0.7439205672948955
Energy: 0.7337250738627439
Energy: 0.7296224231362552
Energy: 0.7953251278832051
Energy: 0.7479991197231337
Energy: 0.7332401230460507
Energy: 0.7978425524767456
Energy: 0.7308347093678164
Energy: 0.7479991197208583
Energy: 0.7332401230458185
Energy: 0.7762016082758169
Energy: 0.75533980017214
Energy: 0.7669037062848053
Energy: 0.8293822572263966
Energy: 0.753265640973456
Energy: 0.7553398001685644
Energy: 0.7669037062850373
Energy: 0.8293822572291827
Energy: 0.7420274867542731
Energy: 0.7423221878717786
Energy: 0.8036506151779778
Energy: 0.7682310255979677
Energy: 0.7420274867534836
Energy: 0.7423221878692247
Energy: 0.814711278160206
Energy: 0.7535512961348254
Energy: 0.7418704791160255
Energy: 0.7983799615215323
Energy: 0.7539335221360463
Energy: 0.7535512961340824
Energy: 0.741870479113193
Energy: 0.7983799615240864
Energy: 0.751127491087054
Energy: 0.7279443298059984
Energy: 0.8287567821469689
Energy: 0.7251235325477561
Energy: 0.7511274910850109
Energy: 0.7279443298065091
Energy: 0.8287567821466904
Energy: 0.726627337255496
Energy: 0.7046917076874072
Energy: 0.7968165826307172
Energy: 0.7250637879055782
Energy: 0.7266273372565176
Energy: 0.7046917076848531
Energy: 0.7968165826304849
Energy: 0.753163399211426
Energy: 0.7348484141478884
Energy: 0.8069230590231542
Energy: 0.7472453138649233
Energy: 0.7531633992096151
Energy: 0.7348484141486314
Energy: 0.8165173818333764
Energy: 0.7250058731591074
Energy: 0.7216817597229817
Energy: 0.7852914128917161
Energy: 0.7237380817354149
Energy: 0.7250058731578071
Energy: 0.7216817597234925
Energy: 0.7852914128927379
Energy: 0.7376372979911968
Energy: 0.7074239328473572
Energy: 0.7635065699161829
Energy: 0.74954246236148
Energy: 0.7376372979911968
Energy: 0.7074239328445244
Energy: 0.7820186718240403
Energy: 0.7279484230705073
Energy: 0.7357904269255114
Energy: 0.753313347720321
Energy: 0.7186785373128278
Energy: 0.7279484230707395
Energy: 0.7357904269250005
Energy: 0.7533133477200888
Energy: 0.7332142373156019
Energy: 0.6990692010712914
Energy: 0.8039291540972939
Energy: 0.7562432442460288
Energy: 0.7332142373161127
Energy: 0.6990692010733346
Energy: 0.8039291540944615
Energy: 0.7383275310069857
Energy: 0.7266773040396105
Energy: 0.7715381578836902
Energy: 0.7329149334462989
Energy: 0.7383275310049424
Energy: 0.7266773040383101
Energy: 0.7715381578869871
Energy: 0.741865225735076
Energy: 0.7395348466127036
Energy: 0.7637730271230956
Energy: 0.7787251570748428
Energy: 0.7418652257320112
Energy: 0.7395348466131679
Energy: 0.7637730271197987
Energy: 0.7248960538339
Energy: 0.7684315929861818
Energy: 0.7887611128817227
Energy: 0.7434015699818035
Energy: 0.7248960538323677
Energy: 0.7684315929879464
Energy: 0.7887611128801901
Energy: 0.7866257440761825
Energy: 0.7379233530535234
Energy: 0.7739400509157834
Energy: 0.79181675499471
Energy: 0.7866257440731176
Energy: 0.7379233530542664
Energy: 0.7739400509188483
Energy: 0.7356709476951143
Energy: 0.7718726714903243
Energy: 0.7796873295724424
Energy: 0.7739137388836872
Energy: 0.7356709476958573
Energy: 0.7718726714867488
Energy: 0.7796873295678451
Energy: 0.7798017312239033
Energy: 0.7375703923627669
Energy: 0.7490670758297545
Energy: 0.7980253390146634
Energy: 0.7798017312205598
Energy: 0.7375703923624883
Energy: 0.7490670758304977
Energy: 0.7211265194630506
Energy: 0.7575553373594135
Energy: 0.7715405295199754
Energy: 0.736949311224726
Energy: 0.7211265194643044
Energy: 0.7575553373586241
Energy: 0.7715405295177001
Energy: 0.739921704507569
Energy: 0.738592453754458
Energy: 0.7598710945761801
Energy: 0.7662488554092431
Energy: 0.739921704507569
Energy: 0.738592453754458
Energy: 0.7598710945769694
Energy: 0.7237834270309043
Energy: 0.7017523884432129
Energy: 0.7250120113787639
Energy: 0.7266161839617846
Energy: 0.7237834270290933
Energy: 0.7017523884450239
Energy: 0.7250120113787639
Energy: 0.7180391382444824
Energy: 0.722010111018565
Energy: 0.7711970871697853
Energy: 0.7419682300915869
Energy: 0.7180391382452254
Energy: 0.7220101110190759
Energy: 0.7711970871702959
Energy: 0.7258187711838815
Energy: 0.7022863276301627
Energy: 0.735737432049503
Energy: 0.7160910339304605
Energy: 0.7258187711864358
Energy: 0.7022863276301627
Energy: 0.7357374320474599
Energy: 0.7089720377617411
Energy: 0.7012959032200021
Energy: 0.7557902010265897
Energy: 0.7388841899811295
Energy: 0.7089720377620198
Energy: 0.7012959032192592
Energy: 0.7557902010263112
Energy: 0.7215182499904834
Energy: 0.7113495346451214
Energy: 0.7179987825173315
Energy: 0.7048692816800921
Energy: 0.7215182499899728
Energy: 0.7113495346446106
Energy: 0.7179987825155669
Energy: 0.7121897507089874
Energy: 0.7136470318635203
Energy: 0.750122048022731
Energy: 0.7343900624861857
Energy: 0.7121897507089874
Energy: 0.713647031863288
Energy: 0.75012204802222
Energy: 0.7245321358814911
Energy: 0.7312949532164984
Energy: 0.756312621072372
Energy: 0.7160320664319779
Energy: 0.7245321358835343
Energy: 0.7312949532177986
Energy: 0.7563126210754367
Energy: 0.7249240434650529
Energy: 0.7243879531991289
Energy: 0.8382396223042649
Energy: 0.727412041549661
Energy: 0.7249240434622668
Energy: 0.7243879532001505
Energy: 0.8382396223055186
Energy: 0.7263295968402763
Energy: 0.7562418573010503
Energy: 0.7426625754232278
Energy: 0.7250926737137887
Energy: 0.7263295968425982
Energy: 0.7562418572979854
Energy: 0.7426625754250388
Energy: 0.7664767523837716
Energy: 0.7245803734499073
Energy: 0.8330655913838609
Energy: 0.7411492593849094
Energy: 0.766476752386047
Energy: 0.7245803734496289
Energy: 0.8330655913820499
Energy: 0.7263405486639153
Energy: 0.7120878094568487
Energy: 0.8057041585414378
Energy: 0.7433021716853849
Energy: 0.7263405486662372
Energy: 0.7120878094575918
Energy: 0.805704158540927
Energy: 0.7669243109229392
Energy: 0.7247171808015157
Energy: 0.7951316056429102
Energy: 0.7400292005540208
Energy: 0.7669243109249825
Energy: 0.724717180803048
Energy: 0.7951316056421208
Energy: 0.7287934002659328
Energy: 0.7279898637556876
Energy: 0.8233678673288892
Energy: 0.7231714832114426
Energy: 0.7287934002669544
Energy: 0.7279898637572199
Energy: 0.8233678673288892
Energy: 0.7315990829729349
Energy: 0.7200935993824193
Energy: 0.7910015021404767
Energy: 0.725538214383672
Energy: 0.7315990829701486
Energy: 0.7200935993834411
Energy: 0.791001502143263

minimum gb energy = 0.6906152494438572 eV
minimum distance =  2.48800450488463 Angstroms
sigma value = 365


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

Energy: 0.7215283166072879
Energy: 0.5895608264551968
Energy: 0.7304793906731887
Energy: 0.5895608264540451
Energy: 0.7215283166078638
Energy: 0.5895608264546209
Energy: 0.5564368728573532
Energy: 0.7215283166084396
Energy: 0.5895608264551968
Energy: 0.5414263816037667
Energy: 0.5895608264540451
Energy: 0.7215283166078638
Energy: 0.5895608264534692
Energy: 0.5796031816716916
Energy: 0.7215283166084396
Energy: 0.5895608264546209
Energy: 0.6155309889078066
Energy: 0.5895608264546209
Energy: 0.7215283166090153
Energy: 0.5895608264540451
Energy: 0.5564465538953868
Energy: 0.7215283166090153
Energy: 0.5895608264551968
Energy: 0.6983474286632934
Energy: 0.5895608264534692
Energy: 0.7215283166090153
Energy: 0.5895608264546209
Energy: 0.5564465503250522
Energy: 0.7215283166078638
Energy: 0.5895608264546209
Energy: 0.6046617006534796
Energy: 0.5895608264546209
Energy: 0.7215283166078638
Energy: 0.5895608264551968
Energy: 0.5564378894157856
Energy: 0.7215283166084396
Energy: 0.5895608264546209
Energy: 0.5414263816146813
Energy: 0.5895608264551968
Energy: 0.7215283166084396
Energy: 0.5895608264546209
Energy: 0.5564465150736853
Energy: 0.7215283166090153
Energy: 0.5895608264551968
Energy: 0.5564352476225058
Energy: 0.5895608264551968
Energy: 0.7215283166090153
Energy: 0.5895608264557726
Energy: 0.5564444544262763
Energy: 0.7215283166084396
Energy: 0.5895608264546209
Energy: 0.5748007831114648
Energy: 0.5895608264546209
Energy: 0.7215283166084396
Energy: 0.5895608264546209
Energy: 0.5564450719861512
Energy: 0.7215283166084396
Energy: 0.5895608264540451
Energy: 0.5812136587325363
Energy: 0.5895608264551968
Energy: 0.7215283166084396
Energy: 0.5895608264534692
Energy: 0.5564462312612499
Energy: 0.7215283166084396
Energy: 0.5895608264534692
Energy: 0.5564242104353398
Energy: 0.5895608264551968
Energy: 0.7215283166090153
Energy: 0.5895608264546209
Energy: 0.5564461873030996
Energy: 0.7215283166084396
Energy: 0.5895608264540451
Energy: 0.5796031824988003
Energy: 0.5895608264546209
Energy: 0.7215283166084396
Energy: 0.5895608264546209
Energy: 0.5564365130033573
Energy: 0.7215283166078638
Energy: 0.5895608264546209
Energy: 0.5564316058037514
Energy: 0.5895608264546209
Energy: 0.7215283166078638
Energy: 0.5895608264540451
Energy: 0.5564463382816119
Energy: 0.7215283166084396
Energy: 0.5895608264551968
Energy: 0.5564465541417133
Energy: 0.5895608264546209
Energy: 0.7215283166084396
Energy: 0.5895608264551968
Energy: 0.5564292785249411
Energy: 0.7215283166090153
Energy: 0.5895608264546209
Energy: 0.5564461857277195
Energy: 0.5895608264546209
Energy: 0.7215283166090153
Energy: 0.5895608264546209
Energy: 0.5564465478621532
Energy: 0.7215283166084396
Energy: 0.5895608264551968
Energy: 0.5564393179509466
Energy: 0.5895608264546209
Energy: 0.7215283166090153
Energy: 0.5895608264546209
Energy: 0.5564465231243308
Energy: 0.7215283166090153
Energy: 0.5895608264540451
Energy: 0.5564422140127366
Energy: 0.5895608264540451
Energy: 0.7215283166084396
Energy: 0.5895608264551968
Energy: 0.5564459906713356
Energy: 0.7215283166090153
Energy: 0.5895608264546209
Energy: 0.5564443259851635
Energy: 0.5895608264551968
Energy: 0.7215283166090153
Energy: 0.5895608264540451
Energy: 0.5564464513461223
Energy: 0.7215283166078638
Energy: 0.5895608264546209
Energy: 0.5564463959201117
Energy: 0.5895608264557726
Energy: 0.7215283166078638
Energy: 0.5895608264546209
Energy: 0.556446538571159
Energy: 0.7215283166095912
Energy: 0.5895608264551968
Energy: 0.5564445347213473
Energy: 0.5895608264540451
Energy: 0.7215283166078638
Energy: 0.5895608264546209
Energy: 0.5564277225294191
Energy: 0.7215283166084396
Energy: 0.5895608264546209
Energy: 0.556445492521752
Energy: 0.5895608264540451
Energy: 0.7215283166090153
Energy: 0.5895608264546209
Energy: 0.556440480459621

minimum gb energy = 0.5414263816037667 eV
minimum distance =  2.6362746237634 Angstroms
sigma value = 23