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_KimJungLee_2015_NiAlCo__MO_876687166519_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 13:16:29      -72.620475         0.243924
BFGS:    1 13:16:29      -72.622980         0.235331
BFGS:    2 13:16:29      -72.649150         0.114307
BFGS:    3 13:16:29      -72.657476         0.003850
BFGS:    4 13:16:30      -72.657486         0.000066
BFGS:    5 13:16:30      -72.657486         0.000000
BFGS:    6 13:16:30      -72.657486         0.000000
Minimization converged after 6 steps.
Maximum force component: 2.779474892175148e-30 eV/Angstrom
Maximum stress component: 3.473887617627201e-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.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.5  0.5  0.5 ]
 [0.5  0.   0.  ]
 [0.   0.5  0.  ]
 [0.   0.   0.5 ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]]
cellpar =  Cell([[5.637444824616191, 1.8971859760778813e-32, -1.1678833508266977e-32], [2.77537264884029e-32, 5.637444824616191, 1.834624035903964e-18], [1.1562951266176529e-32, 1.834624035903944e-18, 5.637444824616191]])
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]
 [ 6.94868723e-32 -3.70596652e-31 -6.89078150e-31]
 [-6.74601719e-31 -1.51133947e-30 -2.41466881e-30]
 [-4.16921234e-31  1.62136035e-31 -1.15811454e-31]
 [-2.89528635e-31 -1.11178996e-30 -4.97989252e-31]
 [ 6.71706432e-31  1.51713005e-30  2.77947489e-30]
 [-7.23821587e-32 -3.70596652e-31  6.48544142e-31]
 [ 3.70596652e-31 -3.18481498e-31 -2.02670044e-32]
 [ 8.94643481e-31  1.29708828e-30  5.47209119e-31]]
stress =  [-3.47388762e-14 -3.47388762e-14 -3.47388762e-14 -5.87119086e-32
  6.46404841e-35  5.68401732e-53]
energy per atom =  -4.541092871142951
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0