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_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
==== 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 15:57:27      -73.484886         0.367271
BFGS:    1 15:57:27      -73.490585         0.356804
BFGS:    2 15:57:27      -73.536470         0.254100
BFGS:    3 15:57:27      -73.566540         0.145907
BFGS:    4 15:57:27      -73.579957         0.032010
BFGS:    5 15:57:27      -73.580611         0.001059
BFGS:    6 15:57:27      -73.580612         0.000007
BFGS:    7 15:57:27      -73.580612         0.000000
Minimization converged after 7 steps.
Maximum force component: 9.621226515880483e-31 eV/Angstrom
Maximum stress component: 1.4737458947722933e-10 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]
 [4.93805774e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [4.93805774e-49 0.00000000e+00 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([[5.542484934947287, -2.4542936875580224e-32, -8.128789875088159e-33], [-1.9756731909305005e-32, 5.542484934947287, -7.654310283944325e-18], [3.675819874059694e-32, -7.654310283944419e-18, 5.542484934947287]])
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]
 [ 9.10885351e-32 -1.13860669e-31 -1.19553702e-31]
 [-4.83907843e-32  5.79977782e-31 -9.62122652e-31]
 [-7.11629180e-32  2.04949204e-31  9.22271417e-31]
 [ 6.83164013e-32  6.97396597e-31 -1.70791003e-32]
 [-3.18809873e-31 -2.96037739e-31  6.26233679e-32]
 [-1.30939769e-31 -2.16335271e-31 -7.91331648e-31]
 [-2.41953921e-31 -2.70419088e-32 -8.08410749e-31]
 [-3.33042456e-31 -1.30939769e-31  1.80753812e-31]]
stress =  [ 1.47374589e-10  1.47374589e-10  1.47374589e-10  2.31429084e-26
 -8.35930516e-35 -1.72152561e-50]
energy per atom =  -4.598788227322189
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0