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_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_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 13:58:49      -18.391488        0.2572
BFGS:    1 13:58:49      -18.394097        0.2159
BFGS:    2 13:58:49      -18.399957        0.0176
BFGS:    3 13:58:49      -18.399993        0.0010
BFGS:    4 13:58:49      -18.399993        0.0000
BFGS:    5 13:58:49      -18.399993        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0083925033124495e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', '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 2.66738907e-38]]
cellpar =  Cell([[3.525527981648557, 3.497831901787023e-33, 1.0313289618124062e-34], [4.645503842946064e-33, 3.525527981648557, -1.3660476652498882e-21], [-1.0329653097751604e-34, -1.3660476652486765e-21, 3.525527981648557]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.00839250e-10 -1.00839250e-10 -1.00839250e-10 -1.25675346e-30
 -5.16500682e-35 -3.65146039e-55]
energy per atom =  -4.599998159670752
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0