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_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 =  225
cell =  [[6.5945, 0, 0], [0, 6.5945, 0], [0, 0, 6.5945]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:47:24      -72.924007         0.787450
BFGS:    1 21:47:24      -72.950306         0.771064
BFGS:    2 21:47:24      -73.060419         0.696683
BFGS:    3 21:47:24      -73.159181         0.619714
BFGS:    4 21:47:24      -73.246200         0.540086
BFGS:    5 21:47:24      -73.321071         0.457724
BFGS:    6 21:47:24      -73.383377         0.372553
BFGS:    7 21:47:24      -73.432692         0.284496
BFGS:    8 21:47:24      -73.468577         0.193472
BFGS:    9 21:47:24      -73.490582         0.099400
BFGS:   10 21:47:24      -73.498241         0.002196
BFGS:   11 21:47:24      -73.498245         0.000037
BFGS:   12 21:47:24      -73.498245         0.000000
BFGS:   13 21:47:24      -73.498245         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.776028438891848e-30 eV/Angstrom
Maximum stress component: 4.752681929774779e-15 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 1.20296652e-34 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]
 [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([[6.4039353360601785, 4.8720070119887376e-32, 1.8238722590959997e-32], [6.752948426131587e-32, 6.4039353360601785, 7.142178159135296e-18], [6.31463885931278e-32, 7.14217815913524e-18, 6.4039353360601785]])
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]
 [-2.63115324e-32  1.47344582e-30 -2.89426857e-31]
 [ 1.23643647e-31 -1.33130187e-30 -1.05657247e-30]
 [-1.06890600e-32  1.35504392e-30  5.78853713e-31]
 [ 3.55205688e-31 -1.25473120e-30  1.77602844e-30]
 [-1.18401896e-31  1.23664202e-30  1.40766698e-30]
 [ 7.40011850e-33 -1.41671157e-30  1.57869195e-31]
 [ 1.84180727e-31 -1.42657840e-30 -9.36526107e-31]
 [-3.31771979e-31  1.36819969e-30 -1.17661884e-30]]
stress =  [ 4.75268193e-15  4.75268193e-15  4.75268193e-15  1.29870351e-30
 -1.87848011e-35 -2.48043112e-51]
energy per atom =  -4.593640288791406
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0