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 17:01:12      -73.484886         0.367270
BFGS:    1 17:01:12      -73.490585         0.356804
BFGS:    2 17:01:12      -73.536470         0.254101
BFGS:    3 17:01:13      -73.566540         0.145907
BFGS:    4 17:01:13      -73.579957         0.032010
BFGS:    5 17:01:13      -73.580611         0.001059
BFGS:    6 17:01:13      -73.580612         0.000007
BFGS:    7 17:01:14      -73.580612         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.770533423750126e-30 eV/Angstrom
Maximum stress component: 1.4865011182657973e-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 6.94969834e-35]
 [0.00000000e+00 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([[5.542485008481928, -1.2201412377248695e-32, -1.1143492320142997e-32], [1.8465990634959833e-33, 5.542485008481928, -6.853186525605417e-18], [1.2153839489202738e-32, -6.853186525605446e-18, 5.542485008481928]])
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]
 [-7.97024692e-31  6.71777955e-31 -1.98188729e-31]
 [ 9.10885363e-31 -3.84279762e-31 -3.98512346e-31]
 [-5.97768519e-32  9.22271430e-31  9.90587832e-31]
 [ 1.13860670e-30 -3.87126279e-31  9.56429631e-31]
 [-1.25246737e-31 -6.83164022e-32 -2.96037743e-31]
 [ 5.09526500e-31 -7.93822361e-31  5.80689419e-31]
 [ 5.80689419e-31 -6.06797315e-31 -7.68559525e-31]
 [ 5.06679983e-31 -1.59404938e-31 -1.77053342e-30]]
stress =  [1.48650112e-10 1.48650112e-10 1.48650112e-10 8.81034064e-27
 5.05400046e-59 8.24728513e-60]
energy per atom =  -4.581878394262965
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0