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_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_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 16:32:48      -72.637688         0.156842
BFGS:    1 16:32:48      -72.638724         0.151176
BFGS:    2 16:32:48      -72.652095         0.028184
BFGS:    3 16:32:48      -72.652593         0.000894
BFGS:    4 16:32:48      -72.652594         0.000005
BFGS:    5 16:32:48      -72.652594         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.6971497983805944e-31 eV/Angstrom
Maximum stress component: 9.533293086110111e-11 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]
 [6.08307034e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.28058021e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.06249796e-69 0.00000000e+00]
 [4.56230275e-50 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 4.28058021e-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([[5.624032993261006, 1.827492592873461e-33, 4.142230725042318e-33], [1.0974959876474869e-33, 5.624032993261006, 3.7559359470131064e-19], [8.253302573501704e-34, 3.7559359470131343e-19, 5.624032993261006]])
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]
 [ 2.45513854e-31  3.43719395e-31 -2.39737057e-31]
 [-1.63194503e-31 -1.14452782e-31  9.89276411e-32]
 [ 3.32165802e-31  3.61049785e-31  3.69714980e-31]
 [-7.50983553e-32 -2.06520477e-31 -2.22406668e-31]
 [ 3.46607794e-32  2.59955845e-32 -2.59955845e-32]
 [-1.77094920e-31 -1.84135390e-31  4.33259742e-32]
 [-1.73303897e-31 -2.28905564e-31 -4.56727978e-32]
 [ 2.52734849e-33  3.89933768e-32 -9.31508445e-32]]
stress =  [-9.53329309e-11 -9.53329309e-11 -9.53329309e-11  6.76093135e-28
  4.54644069e-34  4.54486481e-51]
energy per atom =  -4.540787119307797
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0