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_PunMishin_2009_NiAl__MO_751354403791_005
==== 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 14:42:28       -9.008159        0.3807
BFGS:    1 14:42:28       -9.013678        0.2955
BFGS:    2 14:42:28       -9.021721        0.0156
BFGS:    3 14:42:28       -9.021742        0.0008
BFGS:    4 14:42:29       -9.021742        0.0000
BFGS:    5 14:42:29       -9.021742        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.098693939708611e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8319899175848064, 7.096363481911964e-36, -2.9496522900030573e-33], [2.5195733298297976e-35, 2.8319899175848064, 8.961156858108734e-20], [2.6231423014326203e-33, 8.961156858108155e-20, 2.8319899175848064]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.09869394e-11 -5.09869394e-11 -5.09869394e-11  2.42637529e-26
  9.60543575e-35 -2.26597441e-50]
energy per atom =  -4.499597798142897
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0