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_2017_NiAlTi__MO_478967255435_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 16:35:45      -74.157640         0.918998
BFGS:    1 16:35:45      -74.193286         0.891096
BFGS:    2 16:35:45      -74.318838         0.782230
BFGS:    3 16:35:45      -74.427745         0.669156
BFGS:    4 16:35:45      -74.519368         0.551751
BFGS:    5 16:35:45      -74.593047         0.429888
BFGS:    6 16:35:45      -74.648105         0.303438
BFGS:    7 16:35:45      -74.683843         0.172267
BFGS:    8 16:35:45      -74.699542         0.036238
BFGS:    9 16:35:45      -74.700251         0.000837
BFGS:   10 16:35:45      -74.700251         0.000004
BFGS:   11 16:35:45      -74.700251         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.0318433802561099e-30 eV/Angstrom
Maximum stress component: 2.4875469611164067e-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 1.49541082e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.49541082e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.65638324e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 7.47705412e-36]
 [0.00000000e+00 1.49541082e-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([[6.4394677185141305, -1.9896548282250856e-33, 1.5281003654319672e-32], [-5.683832651510399e-33, 6.4394677185141305, -5.101484405217468e-19], [-2.410162761824648e-34, -5.101484405217466e-19, 6.4394677185141305]])
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]
 [-1.05830090e-31 -3.30719032e-31 -4.13398790e-31]
 [-3.10875890e-31  7.80496916e-31 -5.78758306e-31]
 [ 9.59085193e-32 -5.82065497e-31  2.51346464e-31]
 [-3.17490271e-31  9.40895646e-31 -4.23320361e-31]
 [ 2.77803987e-31 -7.93725677e-31  3.17490271e-31]
 [-8.33411961e-31  7.70575345e-31  6.61438064e-31]
 [-6.21751780e-31  1.03184338e-30 -6.25058971e-31]
 [ 8.59869484e-32 -6.87895587e-31  1.45516374e-31]]
stress =  [ 2.48754696e-11  2.48754696e-11  2.48754696e-11  2.21302732e-27
 -1.79587986e-34 -5.51311887e-50]
energy per atom =  -4.6687657041243416
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0