element(s):
['Al', 'Ni']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8655']
model name:
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8655, 0, 0], [0, 2.8655, 0], [0, 0, 2.8655]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:42:30       -9.008159        0.3807
BFGS:    1 14:42:30       -9.013678        0.2955
BFGS:    2 14:42:30       -9.021721        0.0156
BFGS:    3 14:42:30       -9.021742        0.0008
BFGS:    4 14:42:30       -9.021742        0.0000
BFGS:    5 14:42:30       -9.021742        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.7138891889198315e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8319899484665565, -6.52608471820064e-33, -1.3661001444199013e-33], [-1.160637690591048e-32, 2.8319899484665565, 3.1505738703243815e-21], [-1.2337030101164314e-32, 3.1505738703367578e-21, 2.8319899484665565]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.71388919e-11 -4.71388919e-11 -4.71388919e-11  5.89106276e-28
 -1.92108711e-34  2.14380898e-51]
energy per atom =  -4.510871022382742
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0