element(s):
['Al', 'Ti']
AFLOW prototype label:
AB3_cF16_225_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:
['6.5945']
model name:
MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_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 =  225
cell =  [[6.5945, 0, 0], [0, 6.5945, 0], [0, 0, 6.5945]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:54:35      -74.157109        0.9191
BFGS:    1 13:54:35      -74.192765        0.8912
BFGS:    2 13:54:35      -74.318332        0.7823
BFGS:    3 13:54:35      -74.427254        0.6693
BFGS:    4 13:54:36      -74.518891        0.5518
BFGS:    5 13:54:36      -74.592584        0.4300
BFGS:    6 13:54:36      -74.647654        0.3035
BFGS:    7 13:54:37      -74.683404        0.1723
BFGS:    8 13:54:37      -74.699114        0.0363
BFGS:    9 13:54:37      -74.699825        0.0008
BFGS:   10 13:54:37      -74.699825        0.0000
BFGS:   11 13:54:38      -74.699825        0.0000
Minimization converged after 11 steps.
Maximum force component: 3.730504886579336e-30 eV/Angstrom
Maximum stress component: 2.481924184449815e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.06255495e-49 0.00000000e+00 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]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[6.439457713874571, -3.480500103585177e-32, -4.437509924957441e-33], [-4.298950762362189e-32, 6.439457713874571, 5.081375552344381e-18], [-6.76183976783592e-33, 5.081375552344422e-18, 6.439457713874571]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.29149629e-32 -3.67758992e-30  3.03268881e-30]
 [ 3.20796963e-31  2.90701578e-30 -3.50561629e-31]
 [ 2.28195778e-31 -3.73050489e-30 -2.87063674e-30]
 [ 2.64574815e-31  3.06906785e-30 -5.55607111e-31]
 [-4.36548444e-31 -2.88386548e-30 -4.89463407e-31]
 [ 1.85202370e-31  3.02276726e-30 -1.97108237e-30]
 [ 1.45516148e-31  3.00292415e-30  1.17074355e-30]
 [-3.67097555e-31 -3.14844029e-30  7.93724444e-32]]
stress =  [ 2.48192418e-11  2.48192418e-11  2.48192418e-11 -9.33175723e-28
  3.46791671e-34 -6.60492795e-51]
energy per atom =  -4.668739058324923
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0