Model name: model_name=MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650763273239
cohesive_energy=3.360264280667934
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: 0.012708519168999061
Energy: 0.28430032153831897
Energy: 0.3980228056854515
Energy: 0.2841968775645161
Energy: 0.012708519168385416
Energy: 0.2843003215387281
Energy: 0.2157627301856835
Energy: 0.39732740850966697
Energy: 0.013141285662914622
Energy: 0.11423732939397037
Energy: 0.01316190215696721
Energy: 0.3973274085094624
Energy: 0.013141285662732798
Energy: 0.11423732939437946
Energy: 0.012708519168999061
Energy: 0.284300321537319
Energy: 0.49445159801561356
Energy: 0.2841968775647207
Energy: 0.012708519168385416
Energy: 0.28430032153831897
Energy: 0.21576273018547898
Energy: 0.3973274085094624
Energy: 0.013141285662914622
Energy: 0.11423732939397037
Energy: 0.01316190215696721
Energy: 0.39732740850925785
Energy: 0.013141285662732798
Energy: 0.11423732939437946
Energy: 0.012708519168999061
Energy: 0.28430032153772805
Energy: 0.2157627301856835
Energy: 0.2841968775647207
Energy: 0.012708519168385416
Energy: 0.2843003215387281
Energy: 0.21576273018627443
Energy: 0.39732740850925785
Energy: 0.013141285662323702
Energy: 0.11423732939397037
Energy: 0.01316190215714903
Energy: 0.3973274085094624
Energy: 0.013141285662914622
Energy: 0.11423732939417493

minimum gb energy = 0.012708519168385416 eV
minimum distance =  2.83315362330762 Angstroms
sigma value = 5


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

Energy: 0.6654791787917587
Energy: 0.6890945057076128
Energy: 0.7295446254913193
Energy: 0.6892560718766545
Energy: 0.6654791787917587
Energy: 0.6890945057100563
Energy: 0.7266724492960828
Energy: 0.6412457992874909
Energy: 0.633264270423391
Energy: 0.6782257001702636
Energy: 0.6336275553470695
Energy: 0.6412457992850475
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Energy: 0.6782257001702636
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Energy: 0.6329521929573464
Energy: 0.7157953657479342
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Energy: 0.6556833561612578
Energy: 0.6992543426354724
Energy: 0.6280109934596948
Energy: 0.6577883037332273
Energy: 0.6556833561612578
Energy: 0.699254342637916
Energy: 0.6252974810902373
Energy: 0.6243921555811857
Energy: 0.6947206914289095
Energy: 0.6547149409703821
Energy: 0.6252974810902373
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Energy: 0.7031482015406005
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Energy: 0.6529119603696759
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Energy: 0.6531910749005155
Energy: 0.6333983983312875
Energy: 0.7183892333266679
Energy: 0.6556499045482567
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Energy: 0.6333983983337311
Energy: 0.7183892333315548
Energy: 0.6391805696237333
Energy: 0.6514323409892862
Energy: 0.7174015751516841
Energy: 0.6509106248758296
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Energy: 0.6388840114892848
Energy: 0.6579073671753809
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Energy: 0.6629808900556869
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Energy: 0.6327016308914604
Energy: 0.7150350023812352
Energy: 0.6294563853230752
Energy: 0.6508139333372192
Energy: 0.6327016308914604
Energy: 0.7150350023788362
Energy: 0.6894019663627938
Energy: 0.6392296552314434
Energy: 0.725465444641108
Energy: 0.6546140662377121
Energy: 0.6894019663652372
Energy: 0.6392296686521128
Energy: 0.7254654446362211
Energy: 0.6415961470143349
Energy: 0.6501120303367405
Energy: 0.6983071077866825
Energy: 0.6694583747098074
Energy: 0.6415961470143349
Energy: 0.6501120303367405
Energy: 0.698307107784239
Energy: 0.6245333927109712
Energy: 0.643039250017621
Energy: 0.6977765932096154
Energy: 0.635349956548019
Energy: 0.6245333927085277
Energy: 0.643039250017621
Energy: 0.6977765932096154
Energy: 0.6211693469650374
Energy: 0.6574394177872788
Energy: 0.6921220242063628
Energy: 0.672020918426114
Energy: 0.6211693469674809
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Energy: 0.6921220375342269
Energy: 0.6191491041684644
Energy: 0.6558716071759685
Energy: 0.6626172407752083
Energy: 0.6213319199199753
Energy: 0.6191491041684644
Energy: 0.655871607173525
Energy: 0.6626172407825386

minimum gb energy = 0.6167727760118468 eV
minimum distance =  2.53528186878124 Angstroms
sigma value = 401


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

Energy: 0.6372535500173832
Energy: 0.6523021393740593
Energy: 0.7108835723660296
Energy: 0.653160622319443
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Energy: 0.6523021393737568
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Energy: 0.6413663569970529
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Energy: 0.6475821453085844
Energy: 0.657922600873046
Energy: 0.6444146583669579
Energy: 0.6318230623431937
Energy: 0.6475821453063656
Energy: 0.6556599385737792
Energy: 0.633608322489386
Energy: 0.6379786313765853
Energy: 0.6950861626729368
Energy: 0.6468598709018629
Energy: 0.6336083224882766
Energy: 0.6379786313757281
Energy: 0.6950861626715248
Energy: 0.6406234898574814
Energy: 0.6537912569497681
Energy: 0.6868793611234741
Energy: 0.6349457836923159
Energy: 0.6406234898577335
Energy: 0.653791256948104
Energy: 0.6868793611256929
Energy: 0.6424625301023912
Energy: 0.6471488889030839
Energy: 0.640669200072903
Energy: 0.6351456041706259
Energy: 0.6424625301054673
Energy: 0.6471488889064122
Energy: 0.6406692004535338
Energy: 0.6391892745054841
Energy: 0.6319330610677336
Energy: 0.6691054149213117
Energy: 0.6528545043637437
Energy: 0.6391892745046772
Energy: 0.6319330610685404
Energy: 0.6691054149179834
Energy: 0.6294150778569617
Energy: 0.6391074270548041
Energy: 0.6411246742555873
Energy: 0.6360803382061996
Energy: 0.6294150778541882
Energy: 0.6391074270539469
Energy: 0.6411246778701182
Energy: 0.6210977357266131
Energy: 0.6523021393740593
Energy: 0.7108835723646681
Energy: 0.6531606223180815
Energy: 0.6210977357240918
Energy: 0.6523021393735045
Energy: 0.7108835723649203
Energy: 0.629796836631685
Energy: 0.6799338798480747
Energy: 0.7004685339351788
Energy: 0.6461234898559827
Energy: 0.6297968366297686
Energy: 0.6799338798522603
Energy: 0.7004685339368429

minimum gb energy = 0.6210977357240918 eV
minimum distance =  2.56113657259942 Angstroms
sigma value = 311


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

Energy: 0.6846948814726981
Energy: 0.6600347106898627
Energy: 0.7541802647580127
Energy: 0.6615859375506584
Energy: 0.6846948813312155
Energy: 0.6600347132658683
Energy: 0.7305963546989709
Energy: 0.688382505785092
Energy: 0.640835228622673
Energy: 0.6660745347926283
Energy: 0.6562033262577756
Energy: 0.6883825057847717
Energy: 0.6408352286223528
Energy: 0.6660745351860546
Energy: 0.6486242912239442
Energy: 0.6686599444102471
Energy: 0.7074463671861874
Energy: 0.6567005364508873
Energy: 0.648624291224905
Energy: 0.6686599444102471
Energy: 0.6917408760534545
Energy: 0.6491238171964704
Energy: 0.6488279325118846
Energy: 0.6867229276310705
Energy: 0.6318637281235076
Energy: 0.6491238171971109
Energy: 0.648827932511244
Energy: 0.6867229280164902
Energy: 0.6631492570557113
Energy: 0.6517823084401452
Energy: 0.6949936160822917
Energy: 0.6572115227879246
Energy: 0.6631492570669205
Energy: 0.6517823084401452
Energy: 0.6949936165205254
Energy: 0.6618062039606178
Energy: 0.6423782698377968
Energy: 0.6709501192214028
Energy: 0.633053299127006
Energy: 0.6618062039612583
Energy: 0.6423782698384374
Energy: 0.6709501192191609
Energy: 0.6705469652101946
Energy: 0.6945737641729917
Energy: 0.6642996430932772
Energy: 0.6510141759239663
Energy: 0.6705469652101946
Energy: 0.6945737641726715
Energy: 0.6568543798817499
Energy: 0.6605838806899401
Energy: 0.6374626641140239
Energy: 0.7012020355403308
Energy: 0.6403719843871252
Energy: 0.6605838806896197
Energy: 0.6374626641133834
Energy: 0.7012020355825761
Energy: 0.6483251944213149
Energy: 0.6362827749277271
Energy: 0.7081268778775135
Energy: 0.6374654549087411
Energy: 0.6483251944219554
Energy: 0.636282774941178
Energy: 0.7081268498488594
Energy: 0.6686133770238039
Energy: 0.6842242927277651
Energy: 0.6967967599971032
Energy: 0.6963260510689829
Energy: 0.6686133770238039
Energy: 0.6842242927284056
Energy: 0.6967967747849991
Energy: 0.679263858605116
Energy: 0.6525962278544258
Energy: 0.7260988782583279
Energy: 0.6488582937896502
Energy: 0.6792638586047957
Energy: 0.6525962278560271
Energy: 0.7260988757248878
Energy: 0.6804060672484787
Energy: 0.6822506253048696
Energy: 0.6923000255998589
Energy: 0.6623666050051172
Energy: 0.6804060672484787
Energy: 0.6822506253051898
Energy: 0.6923000255928132
Energy: 0.6679644278188878
Energy: 0.6458439734190417
Energy: 0.6975312998112752
Energy: 0.6509159587645797
Energy: 0.6679644278182473
Energy: 0.645843973418401
Energy: 0.6975312998115955
Energy: 0.6401683519970568
Energy: 0.6642649594731656
Energy: 0.6726286825148139
Energy: 0.6576838859583629
Energy: 0.6401683519973771
Energy: 0.6642649594722049
Energy: 0.6726286825148139
Energy: 0.6661503218569923
Energy: 0.645647292030538
Energy: 0.6875273856222707
Energy: 0.632347804740478
Energy: 0.6661503218573126
Energy: 0.645647292030538
Energy: 0.6875273856229112
Energy: 0.6726862262152741
Energy: 0.6633855843758291
Energy: 0.6986450097446798
Energy: 0.6976796692367464
Energy: 0.6726862262162348
Energy: 0.6633855843761493
Energy: 0.698645009860891
Energy: 0.6892668458667573
Energy: 0.6461891224665419
Energy: 0.7278516982909546
Energy: 0.6403986126278233
Energy: 0.6892668458667573
Energy: 0.6461891224674736
Energy: 0.7278516982999218
Energy: 0.6761969545174115
Energy: 0.6963149417911046
Energy: 0.72713598209345
Energy: 0.6705684798354132
Energy: 0.6761969545174115
Energy: 0.6963149417907843
Energy: 0.7271359819381815
Energy: 0.6468195819928975
Energy: 0.6373831271389959
Energy: 0.6876997894075817
Energy: 0.6291245967430895
Energy: 0.6468195819964203
Energy: 0.6373831271399568
Energy: 0.6876997894264771
Energy: 0.658899872686439
Energy: 0.6469804771936439
Energy: 0.7011180482981566
Energy: 0.6376273117498196
Energy: 0.6588998726870796
Energy: 0.6469804771933239
Energy: 0.701118047436072
Energy: 0.6612047837330988
Energy: 0.6658313152053459
Energy: 0.6798882760932281
Energy: 0.6945784942057897
Energy: 0.6612047837330988
Energy: 0.6658313151941659
Energy: 0.6798882760957902
Energy: 0.6603875898796104
Energy: 0.6334741317991952
Energy: 0.6681980759413629
Energy: 0.6409233727305271
Energy: 0.660387589878009
Energy: 0.6334741317988749
Energy: 0.6681980759052026
Energy: 0.6879544568522915
Energy: 0.6573021081369239
Energy: 0.6812972367079435
Energy: 0.6517047964204539
Energy: 0.6879544568510104
Energy: 0.6573021079265997
Energy: 0.6812972364845177
Energy: 0.6685748594906686
Energy: 0.6318002551108718
Energy: 0.694905015901123
Energy: 0.6488449608920294
Energy: 0.6685748594909889
Energy: 0.6318002551105515
Energy: 0.6949050159014432
Energy: 0.6491123643248169
Energy: 0.658878353672013
Energy: 0.6717669147164107
Energy: 0.660547465085804
Energy: 0.6491123643267386
Energy: 0.658878353672013
Energy: 0.6717670844175241
Energy: 0.6931518007583367
Energy: 0.6599160538911732
Energy: 0.6673905842166173
Energy: 0.6407796738952255
Energy: 0.6931518007580165
Energy: 0.6599160538911732
Energy: 0.6673905842243035
Energy: 0.6607658075476898
Energy: 0.6608940038277735
Energy: 0.7497574636563965
Energy: 0.6600300596144972
Energy: 0.6607658201562235
Energy: 0.6608940038280938
Energy: 0.749757463687462
Energy: 0.7038649719013681
Energy: 0.6421998699696424
Energy: 0.6792854903331633
Energy: 0.6526153011077453
Energy: 0.7038649719010478
Energy: 0.6421998699702537
Energy: 0.6792855113127979
Energy: 0.655575263980657
Energy: 0.6649269017582136
Energy: 0.6897640318500519
Energy: 0.6560221884636929
Energy: 0.6555752639633629
Energy: 0.6649269017582136
Energy: 0.6891087985107003
Energy: 0.6451902770158279
Energy: 0.6425639434720916
Energy: 0.6865245418073433
Energy: 0.6318096286627367
Energy: 0.6451902852428698
Energy: 0.6425639434708107
Energy: 0.6865245416364112
Energy: 0.6676692717738861
Energy: 0.6517661256656035
Energy: 0.6960306433294186
Energy: 0.664496575881179
Energy: 0.6676692717841345
Energy: 0.6517661256662439
Energy: 0.6959376333133971
Energy: 0.6604744530437932
Energy: 0.6467401283662563
Energy: 0.6686293821031949
Energy: 0.6350560199503726
Energy: 0.6604744530444336
Energy: 0.646740128365936
Energy: 0.668629380921315
Energy: 0.6650255251793091
Energy: 0.6952305778923064
Energy: 0.6754894008316349
Energy: 0.6646072068817787
Energy: 0.6650255251799497
Energy: 0.6952305778987117
Energy: 0.6754893993655088
Energy: 0.6586809816048513
Energy: 0.6379348406410127
Energy: 0.6872940027251274
Energy: 0.6379297812018027
Energy: 0.6586809816298318
Energy: 0.6379348406410127
Energy: 0.6872941693002889
Energy: 0.6596219422279663
Energy: 0.6289018791601643
Energy: 0.7257838799025116
Energy: 0.6376048752158021
Energy: 0.6596219422279663
Energy: 0.628901879161125
Energy: 0.7259186753106167
Energy: 0.6663863098974848
Energy: 0.674045756036584
Energy: 0.6963987885312283
Energy: 0.6962263840378053
Energy: 0.6663863098978051
Energy: 0.6740457560349827
Energy: 0.6963978979479531

minimum gb energy = 0.6289018791601643 eV
minimum distance =  2.545386434831 Angstroms
sigma value = 39


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

Energy: 0.6592146646043533
Energy: 0.6825081198050451
Energy: 0.6952993291253589
Energy: 0.6829650353813862
Energy: 0.659214664607377
Energy: 0.6825081198031553
Energy: 0.6909049899777229
Energy: 0.65554789109591
Energy: 0.661523213745122
Energy: 0.6213842972391512
Energy: 0.675870556300631
Energy: 0.655547891097422
Energy: 0.6615232137454999
Energy: 0.6213842972368835
Energy: 0.6593558727281291
Energy: 0.6246781908356032
Energy: 0.6604503834293839
Energy: 0.6403646760939635
Energy: 0.6593558727254835
Energy: 0.6246781908359812
Energy: 0.6587131500294336
Energy: 0.6513117831686777
Energy: 0.6614794613118948
Energy: 0.6488428233310315
Energy: 0.6827619122902271
Energy: 0.651311783172423
Energy: 0.661479461309627
Energy: 0.6488428233287638
Energy: 0.668325044130239
Energy: 0.6389752797393813
Energy: 0.6622094279453016
Energy: 0.6407700376748002
Energy: 0.6683250441294831
Energy: 0.6389752797397592
Energy: 0.658091514002298
Energy: 0.651438212561317
Energy: 0.6417956688315435
Energy: 0.661180200969933
Energy: 0.7120704320777665
Energy: 0.6514382125598052
Energy: 0.6417956688315435
Energy: 0.661180200969933
Energy: 0.7172834046953778
Energy: 0.6397315133287433
Energy: 0.6552156975391787
Energy: 0.6401875275794559
Energy: 0.7172834046942439
Energy: 0.6397315133287433
Energy: 0.6552156975395567
Energy: 0.6475344388154933
Energy: 0.6633970525494987
Energy: 0.6823200728607439
Energy: 0.6633788219859775
Energy: 0.6475344388165929
Energy: 0.6633970525498767
Energy: 0.6823200728588541
Energy: 0.7160440067282772
Energy: 0.6393951174630432
Energy: 0.6525788880827197
Energy: 0.6397852521459065
Energy: 0.7160440067282772
Energy: 0.6393951174626652
Energy: 0.6448475600944614
Energy: 0.6513259179183392
Energy: 0.7086676561568659
Energy: 0.6608599472241472
Energy: 0.6382415170158595
Energy: 0.6513259179194731
Energy: 0.7086676561549761
Energy: 0.660859947225281
Energy: 0.6683016304427704
Energy: 0.6411061351072833
Energy: 0.6676751458551027
Energy: 0.6390430312874513
Energy: 0.6683016304412586
Energy: 0.6411061351076613
Energy: 0.7075066214302506
Energy: 0.6513714602761914
Energy: 0.6826843028956204
Energy: 0.6219786514593493
Energy: 0.66144952447266
Energy: 0.6513714602769474
Energy: 0.6826843028956204
Energy: 0.6219786514578375
Energy: 0.6593067489732392
Energy: 0.6404902393615722
Energy: 0.6689618848806314
Energy: 0.62472412877891
Energy: 0.6593067489728612
Energy: 0.6404902393630841
Energy: 0.6624432969450023
Energy: 0.6557025473578595
Energy: 0.6622867400752376
Energy: 0.6216089875055631
Energy: 0.661484949385814
Energy: 0.6557025473582373
Energy: 0.6622867400759935
Energy: 0.6216089875051852
Energy: 0.6592146646051092
Energy: 0.6825081198050451
Energy: 0.6851045535220223
Energy: 0.6829650353810082
Energy: 0.659214664608133
Energy: 0.6825081198027774
Energy: 0.7006952119309459
Energy: 0.655547891096288
Energy: 0.661523213745122
Energy: 0.6213842972376394
Energy: 0.6758705563025208
Energy: 0.655547891096666
Energy: 0.6615232137458779
Energy: 0.6213842972380175
Energy: 0.659355872728885
Energy: 0.6246781908352252
Energy: 0.6587131500301895
Energy: 0.6403646760932076
Energy: 0.6593558727251054
Energy: 0.6246781908356032
Energy: 0.6587131500294336
Energy: 0.6513117831690213
Energy: 0.6614794613111389
Energy: 0.6488428233306536
Energy: 0.682761912291739
Energy: 0.651311783172423
Energy: 0.661479461310383
Energy: 0.6488428233291417
Energy: 0.6683250441294831
Energy: 0.6389752797401372
Energy: 0.6580915139928488
Energy: 0.6407700376751782
Energy: 0.6683250441287272
Energy: 0.6389752797397592
Energy: 0.658091513989825
Energy: 0.651438212561695
Energy: 0.6417956688311655
Energy: 0.6611802009695551
Energy: 0.7120704320694512
Energy: 0.6514382125598052
Energy: 0.6417956688311655
Energy: 0.661180200969933
Energy: 0.7172834046949998
Energy: 0.6397315133298773
Energy: 0.6405881388962168
Energy: 0.640187527578322
Energy: 0.7172834046946218
Energy: 0.6397315133276095
Energy: 0.6405881388958389
Energy: 0.6475344388151154
Energy: 0.6633970525491205
Energy: 0.682320072861122
Energy: 0.6633788219855996
Energy: 0.6475344388158712
Energy: 0.6633970525502545
Energy: 0.6823200728584762
Energy: 0.716044006729033
Energy: 0.6393951174611534
Energy: 0.6447018494156864
Energy: 0.6397852521462843
Energy: 0.7160440067271432
Energy: 0.6393951174630432
Energy: 0.6447018494126626
Energy: 0.6513259179179614
Energy: 0.7086676561568659
Energy: 0.6608599472196458
Energy: 0.6382415170158595
Energy: 0.6513259179194731
Energy: 0.7086676561557319
Energy: 0.6608599472199895
Energy: 0.6683016304416364
Energy: 0.6411061351069055
Energy: 0.6617691869661397
Energy: 0.6390430312866954
Energy: 0.6683016304416364
Energy: 0.6411061351069055
Energy: 0.6617691869805025
Energy: 0.6513714602758135
Energy: 0.6826843028933525
Energy: 0.6219786514582155
Energy: 0.6614495244730378
Energy: 0.6513714602773254
Energy: 0.6826843028937305
Energy: 0.6219786514578375
Energy: 0.6593067489739951
Energy: 0.6404902393619503
Energy: 0.6624898314317503
Energy: 0.624724128779666
Energy: 0.6593067489721052
Energy: 0.6404902393630841
Energy: 0.6624898314291044
Energy: 0.6557025473574815
Energy: 0.6622867400737257
Energy: 0.6216089875051852
Energy: 0.6614849493861921
Energy: 0.6557025473582373
Energy: 0.6622867400744816
Energy: 0.6216089875059412
Energy: 0.6592146646051092
Energy: 0.6825081198050451
Energy: 0.6722490784421372
Energy: 0.6829650353813862
Energy: 0.6592146646069992
Energy: 0.6825081198035332
Energy: 0.6722490784406254
Energy: 0.6555478910955321
Energy: 0.661523213744744
Energy: 0.6213842972383954
Energy: 0.6758705563040326
Energy: 0.6555478910970439
Energy: 0.661523213745122
Energy: 0.6213842972376394

minimum gb energy = 0.6213842972368835 eV
minimum distance =  2.62042411935985 Angstroms
sigma value = 21


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

Energy: 0.6702665256323712
Energy: 0.7292582343395053
Energy: 0.6779137658921983
Energy: 0.7289348428611289
Energy: 0.6702665256319124
Energy: 0.7292582343390466
Energy: 0.6656005753572481
Energy: 0.6754201661749707
Energy: 0.6676773048625597
Energy: 0.6442688048389834
Energy: 0.667561654304471
Energy: 0.6754201661745118
Energy: 0.6676773048625597
Energy: 0.6442688050664838
Energy: 0.674380578758872
Energy: 0.6638909866346354
Energy: 0.6796538569417659
Energy: 0.667822723412276
Energy: 0.6743805787579753
Energy: 0.6638909866341767
Energy: 0.6796538573536152
Energy: 0.6862640588624208
Energy: 0.6560518100959315
Energy: 0.6662022863846153
Energy: 0.6553135034007452
Energy: 0.6852674938669767
Energy: 0.6560518100950138
Energy: 0.6662022863855331
Energy: 0.6547733951883472
Energy: 0.7368064259534567
Energy: 0.6505174719630615
Energy: 0.6760851492584158
Energy: 0.6547733951878885
Energy: 0.7368064259543744
Energy: 0.6505174719630615
Energy: 0.7090643928130832
Energy: 0.6915209106061426
Energy: 0.7169061157478465
Energy: 0.6614938114924657
Energy: 0.7090643927974827
Energy: 0.6915209106061426
Energy: 0.7169061157542701
Energy: 0.6537337511368745
Energy: 0.7441218698708262
Energy: 0.6593752010179158
Energy: 0.6655239657548531
Energy: 0.6537337511359569
Energy: 0.7441218698708262
Energy: 0.6495027554029766
Energy: 0.6673914760684891
Energy: 0.6748920528587034
Energy: 0.7214077630075303
Energy: 0.6590828260158829
Energy: 0.6673914760671126
Energy: 0.6748920528554915
Energy: 0.7214077630075303
Energy: 0.6535374858063404
Energy: 0.6622513661559211
Energy: 0.6626800660100077
Energy: 0.7109800731094168
Energy: 0.6535374858063404
Energy: 0.6622513661563799
Energy: 0.6626800660100077
Energy: 0.649809467033824
Energy: 0.6704268698849599
Energy: 0.6537576205595957
Energy: 0.6585942568833234
Energy: 0.649809467033824
Energy: 0.6704268698854188
Energy: 0.6537576205605135
Energy: 0.7320343209904517
Energy: 0.7049744761074298
Energy: 0.6685919110247983
Energy: 0.6603236036103168
Energy: 0.7320343207271829
Energy: 0.7049744761074298
Energy: 0.6631718089394916
Energy: 0.6822440762747946
Energy: 0.6500402573365134
Energy: 0.6493074162033372
Energy: 0.6503365665368194
Energy: 0.6822440762743358
Energy: 0.6500402573369721
Energy: 0.6493074162028784
Energy: 0.7068038767727138
Energy: 0.6500845571121371
Energy: 0.6552849656847092
Energy: 0.6584988918277581
Energy: 0.7068038773317875
Energy: 0.6500845571125958
Energy: 0.6552849656842502
Energy: 0.6334166917017501
Energy: 0.6507430056965895
Energy: 0.652273394574356
Energy: 0.6336222657394593
Energy: 0.6334166917008325
Energy: 0.6507430056975073
Energy: 0.652273394574356
Energy: 0.6966822632380079
Energy: 0.6420997308713751
Energy: 0.6420112236676812
Energy: 0.655436623199135
Energy: 0.6966822632384668
Energy: 0.6420997308722927
Energy: 0.6420112236667634
Energy: 0.6295024926633677
Energy: 0.6916684636721072
Energy: 0.6521366616484929
Energy: 0.6428610415482658
Energy: 0.6295024926624501
Energy: 0.6916684636711895
Energy: 0.6521366616498695
Energy: 0.6970938243218128
Energy: 0.6423625371250239
Energy: 0.6507538595076031
Energy: 0.6553824967023191
Energy: 0.6970938243218128
Energy: 0.6423625371236473
Energy: 0.6507538595066855
Energy: 0.629502934012967
Energy: 0.6716994598440176
Energy: 0.6584845575087359
Energy: 0.7106078435382354
Energy: 0.629502934012967
Energy: 0.6716994598440176
Energy: 0.6584845575082771
Energy: 0.6778513805032276
Energy: 0.642397665836899
Energy: 0.7051413579963182
Energy: 0.6496537004387972
Energy: 0.6778513805050629
Energy: 0.6423976658391931
Energy: 0.7051413579967769
Energy: 0.6297308441939269
Energy: 0.6912770954028559
Energy: 0.6424596137312215
Energy: 0.6911722927018112
Energy: 0.6297308441939269
Energy: 0.6912770954028559
Energy: 0.6424596137325981
Energy: 0.6778530535096469
Energy: 0.6491966148530512
Energy: 0.704937886137371
Energy: 0.6422479417989799
Energy: 0.677853053509188
Energy: 0.649196614853969
Energy: 0.7049378861369121
Energy: 0.629500052009938
Energy: 0.7037330911669734
Energy: 0.6582994503524654
Energy: 0.6717209194699569
Energy: 0.629500052009938
Energy: 0.7037330911706232
Energy: 0.6582994503529243
Energy: 0.6968357887404688
Energy: 0.6553940303446735
Energy: 0.6506661339714548
Energy: 0.6423687750240396
Energy: 0.6968357887409276
Energy: 0.6553940303442145
Energy: 0.650666133970996
Energy: 0.6295517395809753
Energy: 0.6428844999854938
Energy: 0.6523766715526009
Energy: 0.691755159673514
Energy: 0.6295517395818929
Energy: 0.6428844999864115
Energy: 0.6523766715539775
Energy: 0.6972740888079343
Energy: 0.6595097542784649
Energy: 0.6453440404607068
Energy: 0.642196189007328
Energy: 0.6972740888074754
Energy: 0.6595097542780062
Energy: 0.645344055664002

minimum gb energy = 0.629500052009938 eV
minimum distance =  2.58239535397898 Angstroms
sigma value = 113


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

Energy: 0.722470036970965
Energy: 0.7120570094815223
Energy: 0.6832609316558919
Energy: 0.709599553331755
Energy: 0.7224700370162676
Energy: 0.7120570094840829
Energy: 0.6832609316541227
Energy: 0.7092821727169902
Energy: 0.6872934010501479
Energy: 0.666802608851081
Energy: 0.6994926371469443
Energy: 0.7092821727123809
Energy: 0.6872934010488442
Energy: 0.6668026088477754
Energy: 0.7149044518241771
Energy: 0.694177213627799
Energy: 0.6972144100871362
Energy: 0.6911068088765143
Energy: 0.7149044518333959
Energy: 0.6941772135781199
Energy: 0.7147591023867321
Energy: 0.6649648908135288
Energy: 0.6920451518066124
Energy: 0.7212202236086404
Energy: 0.6758735021860682
Energy: 0.6649648908344806
Energy: 0.6920451518099182
Energy: 0.7212202235971402
Energy: 0.7049505129015841
Energy: 0.6473881437710626
Energy: 0.6744903734372731
Energy: 0.6696144236495193
Energy: 0.7049505129054485
Energy: 0.6473881466626906
Energy: 0.6744903734369938
Energy: 0.6547676146919094
Energy: 0.696660675424607
Energy: 0.7476294642698769
Energy: 0.6494074819735555
Energy: 0.6547676146893486
Energy: 0.6966606754276798
Energy: 0.7476294642729497
Energy: 0.684310380950823
Energy: 0.6515214535701398
Energy: 0.6735331183072722
Energy: 0.6601698220055426
Energy: 0.6843103809541287
Energy: 0.6515214601599472
Energy: 0.6858996781186423
Energy: 0.6533281643070797
Energy: 0.6935930752410681
Energy: 0.7282047810775248
Energy: 0.6588732502833575
Energy: 0.6533281687828505
Energy: 0.693593075236738
Energy: 0.7282047810765006
Energy: 0.6477185227013809
Energy: 0.6572072745400427
Energy: 0.708320663380037
Energy: 0.6604277666609799
Energy: 0.6477168059484338
Energy: 0.6572073235614875
Energy: 0.7083206633933063
Energy: 0.6441312305674657
Energy: 0.6704907641749493
Energy: 0.7051554318731285
Energy: 0.6600196592872483
Energy: 0.6441312305651377
Energy: 0.6704907641744372
Energy: 0.7051554318728956
Energy: 0.6920006296760393
Energy: 0.688904523697582
Energy: 0.7242167431376996
Energy: 0.6647309849967974
Energy: 0.6920006296729663
Energy: 0.6889045236947419
Energy: 0.7242167431384912
Energy: 0.6542995211240532
Energy: 0.6723357818875344
Energy: 0.7272761050487488
Energy: 0.662693326729964
Energy: 0.6542995251729193
Energy: 0.6723357801978879
Energy: 0.7272760992417007
Energy: 0.6903369062002442
Energy: 0.66783379321201
Energy: 0.719529139106104
Energy: 0.6728942016064398
Energy: 0.6903369061994993
Energy: 0.6678337932824081
Energy: 0.7089606420920331
Energy: 0.6921617386081144
Energy: 0.7101631554400686
Energy: 0.747166226524714
Energy: 0.7039123535332659
Energy: 0.6921617380790581
Energy: 0.7101631554400686
Energy: 0.747166226521641
Energy: 0.6952755319316152
Energy: 0.6684829005212325
Energy: 0.7405752010795995
Energy: 0.6961674033247207
Energy: 0.6952755319308237
Energy: 0.6684829005194632
Energy: 0.7280348266064715
Energy: 0.6945746711695286
Energy: 0.676566213705927
Energy: 0.7173907001349813
Energy: 0.6783423305632708
Energy: 0.6945746710599741
Energy: 0.67656621731704
Energy: 0.7173907001329792
Energy: 0.7048679114103489
Energy: 0.6654220977069933
Energy: 0.7444160451211845
Energy: 0.6680170132225638
Energy: 0.7048679114085794
Energy: 0.6654220976965175
Energy: 0.7444160451237453
Energy: 0.6570907744690864
Energy: 0.6670702400962959
Energy: 0.7131938657308152
Energy: 0.661892361440928
Energy: 0.6570907742768887
Energy: 0.6670702403914369
Energy: 0.7131938657330966
Energy: 0.7049964024288808
Energy: 0.6817127800427571
Energy: 0.7428838434477215
Energy: 0.6881852006404946
Energy: 0.7049964024613794
Energy: 0.6817127800417329
Energy: 0.7428838434472094
Energy: 0.6602547249422293
Energy: 0.6814605351658498
Energy: 0.7107047085798928
Energy: 0.6410386205985995
Energy: 0.6602547209391779
Energy: 0.6814605351694348
Energy: 0.710704708557358
Energy: 0.6745373124396182
Energy: 0.6450025985633541
Energy: 0.7399412733805694
Energy: 0.6907023180932104
Energy: 0.6745373124232759
Energy: 0.6450025985638662
Energy: 0.7399412733805694
Energy: 0.6623164256488248
Energy: 0.6794673467649455
Energy: 0.6875246256234925
Energy: 0.6520562446919422
Energy: 0.6623164256390938
Energy: 0.6794673780967366
Energy: 0.6875246283428503
Energy: 0.6537720986059204
Energy: 0.6507579467913857
Energy: 0.7473928018733621
Energy: 0.6958272841720607
Energy: 0.6538140960986593
Energy: 0.6507579467908735
Energy: 0.747392801802964
Energy: 0.6797075877546298
Energy: 0.6745327890461872
Energy: 0.6999544283709475
Energy: 0.6674415731891891
Energy: 0.6797075877533727
Energy: 0.6745327890472115
Energy: 0.699954428368899
Energy: 0.6700907014501377
Energy: 0.6733444253336041
Energy: 0.6716578441349328
Energy: 0.7226072554322431
Energy: 0.6700906086929225
Energy: 0.6733444253356526
Energy: 0.6716578452368579
Energy: 0.6732256866161277
Energy: 0.7056280786785823
Energy: 0.7159902553644466
Energy: 0.6717821141254146
Energy: 0.6732256866145913
Energy: 0.7056280786611692
Energy: 0.7159902553641672
Energy: 0.7042838752298631
Energy: 0.6697377002305799
Energy: 0.6568119591823148
Energy: 0.7390512712723275
Energy: 0.7042838768985112
Energy: 0.669737700228252
Energy: 0.6568119586022758
Energy: 0.6826251399363015
Energy: 0.7275056037141864
Energy: 0.7204588019626883
Energy: 0.7092997697641876
Energy: 0.6826251399322043
Energy: 0.7275056037157228
Energy: 0.7204588019619433
Energy: 0.7246640620409733
Energy: 0.6701237902876173
Energy: 0.7020319341653445
Energy: 0.7368799796560968
Energy: 0.7246640620414856
Energy: 0.6701237902909696
Energy: 0.7020319341561256
Energy: 0.6705592201178239
Energy: 0.6985315281724002
Energy: 0.705865297041516
Energy: 0.7059455648478302
Energy: 0.6705592201183359
Energy: 0.6985315281306828
Energy: 0.7058652970634921
Energy: 0.6949149722737884
Energy: 0.673720019954801
Energy: 0.7167095421879521
Energy: 0.7167215208165665
Energy: 0.694914972275837
Energy: 0.6737200199566169
Energy: 0.7167095422127684
Energy: 0.6678019182649855
Energy: 0.6456200747603495
Energy: 0.6766969393899506
Energy: 0.6735874048800983
Energy: 0.6678019184702666
Energy: 0.6456200747598374
Energy: 0.6766969393912076
Energy: 0.6552470872489061
Energy: 0.6664598416187115
Energy: 0.7432411736614585
Energy: 0.6829687794441747
Energy: 0.6553005333178682
Energy: 0.6664598416156386
Energy: 0.743241173660155
Energy: 0.6537353919676042
Energy: 0.6542238271140371
Energy: 0.6696346484439589
Energy: 0.6512796414347146
Energy: 0.6537353919686285
Energy: 0.65422382711278
Energy: 0.6696346486876051
Energy: 0.6499151353102133
Energy: 0.6439197109279644
Energy: 0.7296244751214942
Energy: 0.6849005226113721
Energy: 0.6499151353078852
Energy: 0.6439197109269401
Energy: 0.7296244751230306
Energy: 0.646241285854035
Energy: 0.6543660963334405
Energy: 0.6651986639994829
Energy: 0.6486960352408871
Energy: 0.6462412858558509
Energy: 0.6543660963306003
Energy: 0.665198676850434
Energy: 0.6473226767429298
Energy: 0.655034471989408
Energy: 0.7066019462581754
Energy: 0.6847724762614208
Energy: 0.6473226767421848
Energy: 0.6550344719955539
Energy: 0.7066019462584547
Energy: 0.6600635334538532
Energy: 0.6473876199199392
Energy: 0.6928994918776851
Energy: 0.6633330998342851
Energy: 0.6600635334536205
Energy: 0.6473876199058783
Energy: 0.6928994918781971
Energy: 0.6640563679877675
Energy: 0.6665082884716812
Energy: 0.7444065535911994
Energy: 0.6849211635315657
Energy: 0.6640563679880003
Energy: 0.6665082884783392
Energy: 0.7444065535929687
Energy: 0.6673695699678953
Energy: 0.6771076936016949
Energy: 0.7057143335874618
Energy: 0.6763029730954205
Energy: 0.6673695677571077
Energy: 0.677107686977573
Energy: 0.7057143335874618
Energy: 0.6867851891331244
Energy: 0.6662190071541327
Energy: 0.734918334469067
Energy: 0.6962288791515513
Energy: 0.6867851944620524
Energy: 0.6662190071525962
Energy: 0.7349183344747006
Energy: 0.6683817250521109
Energy: 0.6686938643414898
Energy: 0.7482806304729811
Energy: 0.7020947314355894
Energy: 0.668381725054951
Energy: 0.6686938643427469
Energy: 0.7482806305103683
Energy: 0.6768582890710417
Energy: 0.6668793484875323
Energy: 0.7241679185090624
Energy: 0.697582409027304
Energy: 0.6768582894132545
Energy: 0.6668793484859957
Energy: 0.7241679185070138
Energy: 0.6821159052587558
Energy: 0.6721589120301467
Energy: 0.749692284060812
Energy: 0.6653314689454737
Energy: 0.68211590525694
Energy: 0.6721589118471676
Energy: 0.749692284060812
Energy: 0.6757329200966495
Energy: 0.6732877347319487
Energy: 0.7094021732776383
Energy: 0.6754332142689303
Energy: 0.6757329201010263
Energy: 0.6732877347276187
Energy: 0.7094021732781504

minimum gb energy = 0.6410386205985995 eV
minimum distance =  2.51856232081335 Angstroms
sigma value = 365


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

Energy: 0.6800300452558228
Energy: 0.5225475201580454
Energy: 0.5867637898003124
Energy: 0.5225475201574681
Energy: 0.6800300452558228
Energy: 0.5225475201563132
Energy: 0.592291782943867
Energy: 0.6800300452552455
Energy: 0.5225475201574681
Energy: 0.6605317358449984
Energy: 0.5225475201563132
Energy: 0.6800300452552455
Energy: 0.5225475201568907
Energy: 0.592291782943867
Energy: 0.680030045254668
Energy: 0.5225475201557359
Energy: 0.6258652649975641
Energy: 0.5225475201568907
Energy: 0.680030045254668
Energy: 0.5225475201568907
Energy: 0.6160107531867828
Energy: 0.6800300452535134
Energy: 0.5225475201563132
Energy: 0.6066656997104022
Energy: 0.5225475201580454
Energy: 0.6800300452564002
Energy: 0.5225475201557359
Energy: 0.592291782943867
Energy: 0.6800300452552455
Energy: 0.5225475201568907
Energy: 0.6605317358513493
Energy: 0.5225475201580454
Energy: 0.6800300452552455
Energy: 0.5225475201568907
Energy: 0.592291782943867
Energy: 0.6800300452552455
Energy: 0.5225475201563132
Energy: 0.6168517710040999
Energy: 0.5225475201574681
Energy: 0.680030045254668
Energy: 0.5225475201580454
Energy: 0.592291782943867
Energy: 0.680030045254668
Energy: 0.5225475201563132
Energy: 0.5922917829427123
Energy: 0.5225475201574681
Energy: 0.6800300452558228
Energy: 0.5225475201563132
Energy: 0.5922917829427123
Energy: 0.6800300452552455
Energy: 0.5225475201568907
Energy: 0.6264591130604596
Energy: 0.5225475201580454
Energy: 0.6800300452552455
Energy: 0.5225475201574681
Energy: 0.626459113061037
Energy: 0.6800300452552455
Energy: 0.5225475201563132
Energy: 0.5922779982315696
Energy: 0.5225475201574681
Energy: 0.680030045254668
Energy: 0.5225475201574681
Energy: 0.5922917829427123
Energy: 0.6800300452535134
Energy: 0.5225475201568907
Energy: 0.5922917829432897
Energy: 0.5225475201574681
Energy: 0.6800300452552455
Energy: 0.5225475201563132
Energy: 0.592291782943867
Energy: 0.6800300452552455
Energy: 0.5225475201563132
Energy: 0.592291782943867
Energy: 0.5225475201568907
Energy: 0.6800300452552455
Energy: 0.5225475201557359
Energy: 0.592291782943867
Energy: 0.6800300452552455
Energy: 0.5225475201551585
Energy: 0.592291782943867
Energy: 0.5225475201574681
Energy: 0.680030045254668
Energy: 0.5225475201568907
Energy: 0.592291782943867
Energy: 0.680030045254668
Energy: 0.5225475201568907
Energy: 0.5922917829427123
Energy: 0.5225475201568907
Energy: 0.680030045254668
Energy: 0.5225475201557359
Energy: 0.5922917829444444
Energy: 0.680030045254668
Energy: 0.5225475201568907
Energy: 0.5922917829432897
Energy: 0.5225475201574681
Energy: 0.6800300452552455
Energy: 0.5225475201568907
Energy: 0.592291782943867
Energy: 0.6800300452552455
Energy: 0.5225475201557359
Energy: 0.5922917829432897
Energy: 0.5225475201563132
Energy: 0.6800300452552455
Energy: 0.5225475201568907
Energy: 0.5922917829432897
Energy: 0.6800300452540908
Energy: 0.5225475201568907
Energy: 0.5922917829432897
Energy: 0.5225475201586227
Energy: 0.6800300452558228
Energy: 0.5225475201557359
Energy: 0.592291782943867
Energy: 0.6800300452552455
Energy: 0.5225475201574681
Energy: 0.592291782943867
Energy: 0.5225475201580454
Energy: 0.6800300452558228
Energy: 0.5225475201568907
Energy: 0.5922917829432897
Energy: 0.680030045254668
Energy: 0.5225475201563132
Energy: 0.5922917829432897
Energy: 0.5225475201568907
Energy: 0.6800300452552455
Energy: 0.5225475201574681
Energy: 0.5922917829444444
Energy: 0.680030045254668
Energy: 0.5225475201563132
Energy: 0.5922917829432897
Energy: 0.5225475201586227
Energy: 0.680030045254668
Energy: 0.5225475201568907
Energy: 0.5922917829427123
Energy: 0.680030045254668
Energy: 0.5225475201568907
Energy: 0.5922917829432897
Energy: 0.5225475201574681
Energy: 0.6800300452552455
Energy: 0.5225475201563132
Energy: 0.5922917829432897

minimum gb energy = 0.5225475201551585 eV
minimum distance =  2.6620721101245 Angstroms
sigma value = 23