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
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.2423161308924e-19, 1.383272842673214e-18, 1.7876606229181798e-18, 2.1579877301009396e-18, 2.50226344521486e-18, 2.825438494059e-18, 3.1294515103604997e-18, 3.4152477783334196e-18, 3.6837405386591395e-18, 3.93549055315956e-18, 4.1711066489556e-18, 4.39038054308484e-18, 4.59331223554728e-18, 4.7803343140341e-18, 4.951478822077979e-18, 5.1063772590530995e-18, 5.2442445584088e-18, 5.364808350117299e-18, 5.467732177085459e-18, 5.55272764751916e-18, 5.619474326091599e-18, 5.6678600604383995e-18, 5.69719591460694e-18, 5.70704930090604e-18, 5.69593019506608e-18, 5.65879174068996e-18, 5.588984904746579e-18, 5.477841911645999e-18, 5.31405139435218e-18, 5.08324182845814e-18, 4.76694011737386e-18, 4.34111361158934e-18, 3.7741994314147795e-18, 3.0241404402076797e-18, 2.0344438898531998e-18, 7.298891895616739e-19, -9.95449966647174e-19, -3.2889161507425196e-18, -6.358606472654819e-18, -1.0504558948456619e-17, -1.61698074609816e-17, -2.4022876232532598e-17, -3.5099364174028197e-17]
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: 0.09566209764660606
Energy: 389.7910745407996
Energy: -36.232345252533655
Energy: -55.7588916753382
Energy: -55.91387628920164
Energy: 380.4217204288743
Energy: -55.615595460452994
Energy: -46.493482543988584
Energy: -44.90138657099656
Energy: -44.88964592248086
Energy: -44.8628795524288
Energy: -44.83732667148543
Energy: -44.673034607210745
Energy: -46.10067583309217
Energy: -41.30945239369984
Energy: -44.506920484546356
Energy: -45.93962084347815
Energy: -42.873534698417515
Energy: -42.314926838294504
Energy: -41.44313435339837
Energy: -46.488345019525234
Energy: -41.70091034723444
Energy: -44.84867011359771
Energy: -44.54107724462597
Energy: -44.85463731386346
Energy: -44.84694464942455
Energy: -44.37381160278912
Energy: -44.810513947788785
Energy: -42.6944784834217
Energy: -41.355072659024536
Energy: -41.641369634245535
Energy: -41.33069396693041
Energy: -46.17543844943706
Energy: -44.72549221072317
Energy: -46.107800191043
Energy: -36.50492784394979
Energy: -44.90758033571403
Energy: -44.839996209008106
Energy: -34.99039522836235
Energy: -36.410619785683195
Energy: -44.82797870811475
Energy: -44.882542522067176

minimum gb energy = -55.91387628920164 eV
minimum distance =  2.8129869797762 Angstroms
sigma value = 5


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

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Energy: -42.05954550072505

minimum gb energy = -53.994840444272505 eV
minimum distance =  2.79898572751479 Angstroms
sigma value = 401


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

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minimum gb energy = -50.454116933516595 eV
minimum distance =  2.7877531861236 Angstroms
sigma value = 311


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

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minimum gb energy = -31.344829968763054 eV
minimum distance =  2.79413834812613 Angstroms
sigma value = 39


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

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minimum gb energy = -47.67811814567121 eV
minimum distance =  2.82030954970123 Angstroms
sigma value = 21


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

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minimum gb energy = -34.01760926537004 eV
minimum distance =  2.80953204507081 Angstroms
sigma value = 113


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

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minimum gb energy = -53.64796775795848 eV
minimum distance =  2.79827044237013 Angstroms
sigma value = 365


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