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_PunMishin_2009_NiAl__MO_751354403791_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 12:16:41      -73.484886         0.367270
BFGS:    1 12:16:41      -73.490585         0.356804
BFGS:    2 12:16:41      -73.536470         0.254101
BFGS:    3 12:16:41      -73.566540         0.145907
BFGS:    4 12:16:41      -73.579957         0.032010
BFGS:    5 12:16:41      -73.580611         0.001059
BFGS:    6 12:16:41      -73.580612         0.000007
BFGS:    7 12:16:41      -73.580612         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.420411862461918e-30 eV/Angstrom
Maximum stress component: 1.4865047785725288e-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]
 [0.00000000e+00 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]
 [6.03881283e-68 6.94969834e-35 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([[5.542485008481929, -1.396711678046618e-32, -1.309606250694289e-32], [-4.81604062509192e-33, 5.542485008481929, -6.209439022690566e-18], [1.2669558453038725e-33, -6.209439022690583e-18, 5.542485008481929]])
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]
 [ 1.59404938e-31  1.09306244e-30 -3.47275045e-31]
 [-3.34465719e-31 -1.42041186e-30 -2.56186508e-31]
 [ 3.58661112e-31  7.97024692e-31 -5.46531218e-31]
 [-4.21284480e-31 -1.38910018e-30  8.99499296e-31]
 [-9.67815698e-32  1.05890423e-30  5.29452117e-31]
 [-3.33042461e-31 -1.32932333e-30  1.48928723e-48]
 [-3.64354145e-31 -1.24677434e-30  5.80689419e-31]
 [ 2.81805159e-31  9.90587832e-31 -5.50800993e-31]]
stress =  [ 1.48650478e-10  1.48650478e-10  1.48650478e-10 -8.58997510e-27
  4.17965247e-35 -4.60718410e-52]
energy per atom =  -4.581878394262974
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0