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_001
==== 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 11:11:16      -74.157640         0.918998
BFGS:    1 11:11:16      -74.193286         0.891096
BFGS:    2 11:11:16      -74.318838         0.782230
BFGS:    3 11:11:17      -74.427745         0.669156
BFGS:    4 11:11:17      -74.519368         0.551751
BFGS:    5 11:11:18      -74.593047         0.429888
BFGS:    6 11:11:18      -74.648105         0.303438
BFGS:    7 11:11:18      -74.683843         0.172267
BFGS:    8 11:11:19      -74.699542         0.036238
BFGS:    9 11:11:19      -74.700251         0.000837
BFGS:   10 11:11:19      -74.700251         0.000004
BFGS:   11 11:11:20      -74.700251         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.804969158347498e-31 eV/Angstrom
Maximum stress component: 2.487559697747656e-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]
 [1.06255330e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.49541082e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.68233718e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.32819162e-50 2.65638324e-50]
 [0.00000000e+00 5.00000000e-01 1.49541082e-35]
 [0.00000000e+00 1.86926353e-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, -1.2464734410244595e-33, -1.884558244456384e-33], [-1.0517218813564776e-32, 6.4394677185141305, -1.1904203751285363e-19], [1.4290804664561242e-33, -1.1904203751285895e-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]
 [-1.52130755e-31  4.36549122e-31  4.96078548e-31]
 [-1.80241873e-31  4.63006645e-32 -4.61353050e-31]
 [ 2.64575226e-32  4.16705980e-31 -2.57960845e-31]
 [-3.04261510e-31  4.05130814e-32  5.42379213e-31]
 [ 5.82065497e-31  4.36549122e-31  7.80496916e-31]
 [ 2.87725558e-31 -3.47254984e-32 -5.29150451e-31]
 [ 1.85202658e-31 -4.63006645e-32  4.81196192e-31]
 [ 3.20797461e-31  5.22536071e-31 -2.34810513e-31]]
stress =  [ 2.48755970e-11  2.48755970e-11  2.48755970e-11 -2.82965495e-28
 -1.61009918e-34  2.91983374e-52]
energy per atom =  -4.668765704124345
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0