Model name: model_name=LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.390116661787033
cohesive_energy=35.62344262805812
mass=95.95
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: 0.09613917829052256
Energy: -23.507534781712025
Energy: 0.09613917829052256
Energy: -23.507455727518334
Energy: 0.09613917829052256
Energy: -23.507101490814584
Energy: 0.09613917829052256
Energy: -24.019937074240946
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Energy: -24.019937074235255
Energy: -37.42244767081023
Energy: -24.01993707423241
Energy: -37.42244767081592
Energy: -24.019937074238104
Energy: -39.964554054973384
Energy: -5.670493477264509
Energy: -39.96455406141017
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Energy: -39.96455405979962
Energy: -5.670527120916587
Energy: -39.96455407306867
Energy: -24.01993707423241
Energy: -37.42244767080738
Energy: -24.019937074235255
Energy: -37.42244767080738
Energy: -24.019937074229563
Energy: -37.42244767080738
Energy: -24.019937074229563
Energy: 0.09613917829052256
Energy: -23.507969115800993
Energy: 0.09613917829052256
Energy: -23.5086175873801
Energy: 0.09613917829052256
Energy: -23.507903907660975
Energy: 0.09613917829052256
Energy: -24.019937074229563
Energy: -37.42244767080454
Energy: -24.019937074229563
Energy: -37.42244767081023
Energy: -24.019937074238104
Energy: -37.42244767080454
Energy: -24.01993707423241

minimum gb energy = -39.96455407306867 eV
minimum distance =  2.88580739478132 Angstroms
sigma value = 5


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

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Energy: -35.78814933292254

minimum gb energy = -46.64718291797451 eV
minimum distance =  2.79719131456271 Angstroms
sigma value = 401


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

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Energy: -35.58116899113605
Energy: -32.31729880487892
Energy: -35.581168945613314

minimum gb energy = -40.00408841742877 eV
minimum distance =  2.84549675543009 Angstroms
sigma value = 311


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

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minimum gb energy = -20.064212813068036 eV
minimum distance =  2.84284290546133 Angstroms
sigma value = 39


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

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Energy: -19.260733603377084
Energy: -25.22998100967067
Energy: -19.260757429364556

minimum gb energy = -33.29605271643186 eV
minimum distance =  2.84842615946398 Angstroms
sigma value = 21


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

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minimum gb energy = -29.725081005061206 eV
minimum distance =  2.77533170489806 Angstroms
sigma value = 113


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

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minimum gb energy = -52.88887147962531 eV
minimum distance =  2.79631094443193 Angstroms
sigma value = 365


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