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:
EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
==== 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 16:32:47      -72.453000         0.324352
BFGS:    1 16:32:47      -72.457455         0.316588
BFGS:    2 16:32:47      -72.498665         0.232761
BFGS:    3 16:32:47      -72.527054         0.147505
BFGS:    4 16:32:47      -72.542607         0.059374
BFGS:    5 16:32:47      -72.545521         0.002030
BFGS:    6 16:32:47      -72.545525         0.000032
BFGS:    7 16:32:48      -72.545525         0.000000
BFGS:    8 16:32:48      -72.545525         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.0477946482022334e-31 eV/Angstrom
Maximum stress component: 1.4019647932224263e-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([[5.667146729427148, -2.537490072951657e-33, 2.5390097523750634e-32], [4.2046954964197506e-32, 5.667146729427148, -1.00330794988615e-17], [-1.00768808411128e-32, -1.0033079498861419e-17, 5.667146729427148]])
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]
 [ 2.03737848e-32 -8.14951393e-32  1.25517067e-32]
 [-7.93122338e-32 -1.00413654e-31  4.22028400e-32]
 [ 4.00199345e-32 -6.98529765e-32 -1.04779465e-31]
 [-7.27635172e-32 -6.98529765e-32 -3.78370290e-32]
 [-8.73162207e-33  5.53002731e-32 -4.36581103e-32]
 [-1.61898826e-32  1.01868924e-31 -5.23897324e-32]
 [ 2.91054069e-32  7.85845986e-32  1.04051830e-31]
 [-8.36780448e-33  4.22028400e-32 -5.74831786e-32]]
stress =  [ 1.40196479e-14  1.40196479e-14  1.40196479e-14 -1.24511124e-30
 -3.19823447e-35 -1.86498987e-51]
energy per atom =  -4.534095299115302
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0