element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5446']
model name:
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.5446, 0, 0], [0, 3.5446, 0], [0, 0, 3.5446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:40:45      -18.487446         0.300898
BFGS:    1 16:40:45      -18.491039         0.256431
BFGS:    2 16:40:45      -18.500862         0.010668
BFGS:    3 16:40:45      -18.500880         0.000392
BFGS:    4 16:40:45      -18.500880         0.000001
BFGS:    5 16:40:45      -18.500880         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.310686564255574e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 8.2286059e-40]]
cellpar =  Cell([[3.571365444014837, 1.380573151319537e-32, -2.4692578836206917e-33], [-1.3805731508552194e-32, 3.571365444014837, -1.433945819057627e-23], [-1.1176081414836229e-32, -1.4339458183673792e-23, 3.571365444014837]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.31068656e-12 -2.31068656e-12 -2.31068656e-12  2.56537903e-28
 -1.28057654e-59 -6.85792177e-61]
energy per atom =  -4.605840400602278
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0