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 13:54:56      -72.620475        0.2439
BFGS:    1 13:54:56      -72.622980        0.2353
BFGS:    2 13:54:56      -72.649150        0.1143
BFGS:    3 13:54:56      -72.657476        0.0038
BFGS:    4 13:54:56      -72.657486        0.0001
BFGS:    5 13:54:56      -72.657486        0.0000
BFGS:    6 13:54:56      -72.657486        0.0000
Minimization converged after 6 steps.
Maximum force component: 8.164707495764496e-31 eV/Angstrom
Maximum stress component: 3.5541147526233416e-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 4.27039644e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.27039644e-36]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.06859834e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 4.27039644e-36]
 [5.68931094e-51 8.54079288e-36 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([[5.63744482461619, 9.11910733264435e-34, 1.6653518594497403e-32], [-6.0134426167209235e-33, 5.63744482461619, 4.15510261110824e-19], [-1.6996193293376652e-34, 4.1551026111084077e-19, 5.63744482461619]])
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]
 [-6.36962996e-32  1.82403040e-31  4.34292952e-31]
 [-4.39721614e-32 -2.37413480e-31  8.16470750e-31]
 [-5.91724147e-32  2.14251190e-31 -4.34292952e-31]
 [-5.21151542e-32 -1.85298326e-31 -4.40083525e-31]
 [ 1.62136035e-31  1.14363811e-31 -7.00659296e-31]
 [ 9.52730163e-32 -3.09795639e-31 -2.20041762e-31]
 [ 1.15811454e-31 -4.48769384e-31  5.40694725e-31]
 [ 1.54897820e-31  2.52070867e-31  1.77698199e-31]]
stress =  [-3.55411475e-14 -3.55411475e-14 -3.55411475e-14  6.45676809e-31
  5.17123873e-34 -1.28893163e-51]
energy per atom =  -4.54109287114295
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0