Model name: model_name=SNAP_ZuoChenLi_2019quadratic_Ni__MO_263593395744_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=2.5751821175217633
cohesive_energy=206.50198503782107
mass=58.6934
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: 0.0226993107856932 eV

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

Energy: 1.9544199823309287
Energy: 233.58580606440395
Energy: 233.58580606440395
Energy: 233.57951388801257
Energy: 1.9544199823309287
Energy: 233.58993181506185
Energy: 233.58993181506185
Energy: 1389.3755188875944
Energy: 2.020211057238982
Energy: 149.54515212356878
Energy: 2.0260361466329524
Energy: 1389.3755188875944
Energy: 2.020211057238982
Energy: 149.54515212356878
Energy: 1.9544199823309287
Energy: 233.4945410658402
Energy: 233.4945410658402
Energy: 233.49992568439745
Energy: 1.9544199823309287
Energy: 233.49685364201773
Energy: 233.49685364201773
Energy: 1389.3755188878886
Energy: 2.020211057238982
Energy: 149.54515212351856
Energy: 2.0260361466329524
Energy: 1389.3755188879388
Energy: 2.020211057238982
Energy: 149.54515212356878
Energy: 1.9544199823309287
Energy: 233.49206162285367
Energy: 233.49206162285367
Energy: 233.49715739004358
Energy: 1.9544199823309287
Energy: 233.49507671678595
Energy: 233.49507671678595
Energy: 1389.3755188886278
Energy: 2.020211057238982
Energy: 149.54515212351856
Energy: 2.0260361466329524
Energy: 1389.3755188887283
Energy: 2.020211057238982
Energy: 149.54515212356878

minimum gb energy = 1.9544199823309287 eV
minimum distance =  1.79969250387551 Angstroms
sigma value = 5


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

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minimum gb energy = -93766249.79556017 eV
minimum distance =  1.35760078077822e-06 Angstroms
sigma value = 401


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

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Energy: -24469169.604017824
Energy: -46312208.1045609
Energy: -61595122.71103781
Energy: -81384365.21607077
Energy: -58291550.214991316
Energy: -38468661.87842447
Energy: -37833226.57217612
Energy: -44150767.58968261
Energy: -100445183.68470019
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Energy: -13675198.315541185
Energy: -69502629.61317869
Energy: -51479349.05452405
Energy: -6785551.719609586
Energy: -13675152.75924483
Energy: -74375862.6163872
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Energy: -7103086.040109315
Energy: -100673494.58425592
Energy: -9567160.085869703
Energy: -46518480.36164156
Energy: -7103084.295712495
Energy: -97897151.8599264
Energy: -28424905.69598704
Energy: -39113762.44110033
Energy: -52395457.94977398
Energy: -9898921.83452164
Energy: -30849384.099724624
Energy: -47410869.663553745
Energy: -66218478.05603335
Energy: -60950959.387467265
Energy: -9872789.25229525
Energy: -72256770.2193886
Energy: -3464424.592910896
Energy: -57623421.74063683
Energy: -14704654.213029921
Energy: -72255217.8814426
Energy: -13400599.329854922
Energy: -66741467.01305937
Energy: -31447673.842676524
Energy: -7102770.061252506
Energy: -13400599.35432215
Energy: -66173762.06274756
Energy: -251424681.9682098

minimum gb energy = -431280810.3838764 eV
minimum distance =  1.00001673506517e-10 Angstroms
sigma value = 311


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

Energy: -31830021.479115464
Energy: -16404739.175908351
Energy: -15667024.968772106
Energy: -15840810.172906077
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Energy: -20854064.420704488
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Energy: -27383894.108242314
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Energy: -16807772.526525747
Energy: -11698804.110222997
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Energy: -16188992.815243375
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Energy: -83777668.47255398
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Energy: -22106384.696149673
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Energy: -11428642.750916244
Energy: -30715213.60037609
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Energy: -11428641.317350496
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Energy: -16204408.11959486
Energy: -36241643.21224802
Energy: -22116907.494538523
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Energy: -16203789.727637101
Energy: -36241643.21164872
Energy: -41708693.34039774
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Energy: -21266842.063699234
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Energy: -33208532.145836573
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Energy: -33206023.0629284
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Energy: -35590395.1788663
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Energy: -30989649.292649683
Energy: -30950133.87464511
Energy: -7964393.624412308
Energy: -41310416.30763011
Energy: -30990075.566525877
Energy: -30950133.873723548
Energy: -7964393.19807135
Energy: -5843655.995614758
Energy: -11698686.686827736
Energy: -8306486.075056317
Energy: -5823975.6594324745
Energy: -5844365.388505977
Energy: -11698795.36349659
Energy: -8307863.231020756
Energy: -22111900.13182027
Energy: -58777659.401851974
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Energy: -29801425.041815914
Energy: -22111549.11632847
Energy: -58777659.312808566
Energy: -11430055.762285437
Energy: -5842431.6788896145
Energy: -22859016.876129843
Energy: -22119133.485576786
Energy: -29176915.522096362
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Energy: -22859016.876164753
Energy: -22120281.93527028
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Energy: -5823443.946417459
Energy: -22118450.043741666
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Energy: -47760338.04904782
Energy: -5823460.547951287
Energy: -11696383.128057346
Energy: -8202693.9216253515
Energy: -20961363.65541796
Energy: -22863203.949750356
Energy: -11698386.680735862
Energy: -8201458.497254481
Energy: -20960380.255030014
Energy: -11191027.590616506
Energy: -37615032.07884675
Energy: -15475152.237280749
Energy: -99893869.52727015
Energy: -11191797.084767533
Energy: -38284978.46945981
Energy: -15475152.237374563
Energy: -54049669.40856025
Energy: -16407811.575127913
Energy: -22857578.87102441
Energy: -82922218.22087838
Energy: -54049102.828973174
Energy: -16407811.5922012
Energy: -22857578.871435206
Energy: -16201048.156522596
Energy: -16204253.347332736
Energy: -36243192.7381944
Energy: -22207300.45016013
Energy: -16201031.520122722
Energy: -16208497.713569771
Energy: -36243192.73819447

minimum gb energy = -122563551.30381101 eV
minimum distance =  9.52023410150231e-09 Angstroms
sigma value = 39


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

Energy: -95433161.5471837
Energy: -88655666.69508885
Energy: -27620821.80384352
Energy: -125233710.50287166
Energy: -99394648.5868978
Energy: -106335819.91234523
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Energy: -38241719.66776488
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Energy: -86728245.09670071
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Energy: -91148982.83029358
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Energy: -19612854.281763036
Energy: -66190146.3802806
Energy: -123934102.15619375
Energy: -19612498.168312397
Energy: -58392338.00992351
Energy: -66074276.31997181
Energy: -27619994.59897808
Energy: -76668990.71362716
Energy: -64995074.415266894
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Energy: -97531589.59042573
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Energy: -38730740.959209725
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Energy: -26384032.40463073
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Energy: -70329767.4470878
Energy: -38247506.27009875
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Energy: -124167769.28723775
Energy: -27627223.497507688
Energy: -140313096.988643
Energy: -95713558.01765288
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Energy: -98436421.08473748
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Energy: -95348284.4511001
Energy: -38246504.06002266
Energy: -98438139.72193483
Energy: -92658190.71307127
Energy: -89650424.70145376

minimum gb energy = -3666410542.213975 eV
minimum distance =  1.00000773860798e-10 Angstroms
sigma value = 21


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

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Energy: -32756373.851477228
Energy: -47265487.220714964
Energy: -32755644.798605047
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Energy: -44346543.91876389
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minimum gb energy = -202727147.98132068 eV
minimum distance =  2.72735470628909e-08 Angstroms
sigma value = 113


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

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