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 21:06:04      -74.157109         0.919110
BFGS:    1 21:06:04      -74.192765         0.891203
BFGS:    2 21:06:05      -74.318332         0.782333
BFGS:    3 21:06:05      -74.427254         0.669254
BFGS:    4 21:06:05      -74.518891         0.551843
BFGS:    5 21:06:06      -74.592584         0.429975
BFGS:    6 21:06:06      -74.647654         0.303518
BFGS:    7 21:06:06      -74.683404         0.172340
BFGS:    8 21:06:07      -74.699114         0.036304
BFGS:    9 21:06:07      -74.699825         0.000839
BFGS:   10 21:06:08      -74.699825         0.000004
BFGS:   11 21:06:08      -74.699825         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.0306117024465538e-30 eV/Angstrom
Maximum stress component: 2.4819810491305406e-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]
 [2.12510990e-49 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 5.31277474e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 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([[6.439457713874573, 1.7058551098725886e-32, -1.016449425529499e-33], [1.7714439758515486e-32, 6.439457713874573, 1.7340256876448042e-18], [1.0094668239454334e-33, 1.734025687644799e-18, 6.439457713874573]])
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]
 [ 7.93724444e-31  2.91032296e-31  3.88594259e-31]
 [ 4.63005926e-31 -2.57960444e-31 -2.03061170e-30]
 [ 6.20097222e-31  2.11659852e-31 -5.82064592e-31]
 [ 2.91032296e-31 -6.00254111e-31  9.12783111e-31]
 [ 1.32287407e-32  1.19058667e-31  9.12783111e-31]
 [-6.28365185e-32 -7.80495703e-31 -8.59868148e-31]
 [-2.51346074e-31 -7.60652592e-31 -3.67097555e-31]
 [ 7.93724444e-32  1.05829926e-31 -1.42208963e-31]]
stress =  [ 2.48198105e-11  2.48198105e-11  2.48198105e-11  2.44431936e-30
 -4.95416672e-35 -1.42367308e-53]
energy per atom =  -4.668739058324924
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0