element(s):
['Al', 'Ti']
AFLOW prototype label:
AB2_cF12_216_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4686']
model name:
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[6.4686, 0, 0], [0, 6.4686, 0], [0, 0, 6.4686]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:54:19      -51.146329        1.0839
BFGS:    1 13:54:19      -51.196158        1.0615
BFGS:    2 13:54:19      -51.349850        0.9871
BFGS:    3 13:54:19      -51.492113        0.9091
BFGS:    4 13:54:19      -51.622401        0.8274
BFGS:    5 13:54:19      -51.740147        0.7419
BFGS:    6 13:54:19      -51.844764        0.6523
BFGS:    7 13:54:19      -51.935641        0.5587
BFGS:    8 13:54:19      -52.012148        0.4607
BFGS:    9 13:54:19      -52.073629        0.3583
BFGS:   10 13:54:19      -52.119406        0.2513
BFGS:   11 13:54:19      -52.148775        0.1395
BFGS:   12 13:54:19      -52.161007        0.0228
BFGS:   13 13:54:19      -52.161331        0.0006
BFGS:   14 13:54:19      -52.161332        0.0000
BFGS:   15 13:54:19      -52.161332        0.0000
Minimization converged after 15 steps.
Maximum force component: 3.162970054954502e-31 eV/Angstrom
Maximum stress component: 1.2419571053275165e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[7.69467439e-34 2.56790659e-34 7.70371978e-34]
 [2.56980301e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.50105243e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00350809e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.69368897e-34 7.70371962e-34]
 [7.68132035e-34 5.00000000e-01 2.50175404e-34]
 [2.50638717e-34 5.00350809e-34 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.158654804992497, 7.87086140608336e-33, 1.2093804528780603e-33], [1.7330439465318124e-32, 6.158654804992497, -2.3604694669305774e-17], [6.700330487753154e-33, -2.3604694669305786e-17, 6.158654804992497]])
forces =  [[-6.32594011e-33  3.16297005e-33 -1.89778203e-32]
 [-1.26518802e-32  9.48891016e-33 -1.58148503e-32]
 [ 3.16297005e-33 -6.32594011e-33 -3.16297005e-33]
 [-6.32594011e-33  9.48891016e-33 -1.26518802e-32]
 [-6.32594011e-33 -1.26518802e-32  1.89778203e-32]
 [ 1.26518802e-32  6.32594011e-33 -1.73963353e-32]
 [-1.26518802e-32  1.89778203e-32 -6.32594011e-33]
 [ 6.32594011e-33 -1.89778203e-32  1.26518802e-32]
 [ 1.01215042e-31 -3.16297005e-31 -6.32594011e-32]
 [-1.79498551e-31  6.32594011e-32 -2.78341365e-31]
 [-1.30472515e-31 -1.64474443e-31 -1.39170682e-31]
 [-2.15081964e-31 -5.06075209e-32 -1.64474443e-31]]
stress =  [1.24195711e-11 1.24195711e-11 1.24195711e-11 1.59515146e-27
 5.41623481e-35 3.40615559e-51]
energy per atom =  -4.34677763768578
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0