element(s):
['Al', 'Ni']
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:
['5.6016']
model name:
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.6016, 0, 0], [0, 5.6016, 0], [0, 0, 5.6016]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:35:45      -72.620475         0.243925
BFGS:    1 16:35:45      -72.622980         0.235331
BFGS:    2 16:35:45      -72.649150         0.114307
BFGS:    3 16:35:45      -72.657476         0.003849
BFGS:    4 16:35:45      -72.657486         0.000066
BFGS:    5 16:35:45      -72.657486         0.000000
BFGS:    6 16:35:45      -72.657486         0.000000
Minimization converged after 6 steps.
Maximum force component: 8.830623251390253e-32 eV/Angstrom
Maximum stress component: 3.5272722385796016e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.54079298e-36 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 1.70815860e-35 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([[5.6374447582497815, 1.0294599229125488e-32, 1.0620600681744453e-33], [2.0039988142015147e-32, 5.6374447582497815, 6.099571963590692e-19], [-5.987040737253303e-34, 6.099571963590728e-19, 5.6374447582497815]])
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]
 [ 2.46099337e-32 -3.04005063e-32  2.31622905e-32]
 [ 5.06675105e-33  4.05340084e-32 -5.79057262e-32]
 [ 1.80955394e-32 -3.76387221e-32 -4.34292947e-33]
 [-1.73717179e-32  5.79057262e-33 -2.89528631e-32]
 [-5.35627968e-32 -7.67250873e-32 -4.05340084e-32]
 [ 3.32957926e-32 -2.89528631e-33  8.83062325e-32]
 [-7.23821578e-33  8.68585894e-33  5.79057262e-32]
 [-4.52840875e-32 -4.63245810e-32 -1.80955394e-32]]
stress =  [-3.52727224e-14 -3.52727224e-14 -3.52727224e-14 -2.19741000e-31
  9.69607285e-35  7.46009905e-52]
energy per atom =  -4.5410928712731335
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0