element(s):
['Al']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.039']
model name:
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:11:28      -13.438903         0.067437
BFGS:    1 11:11:28      -13.439089         0.061401
BFGS:    2 11:11:28      -13.440000         0.000797
BFGS:    3 11:11:29      -13.440000         0.000010
BFGS:    4 11:11:29      -13.440000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.567984086255858e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.049999838751347, 1.6335925716887198e-32, 1.5802194359043583e-33], [1.633179636648696e-32, 4.049999838751347, 2.1959478152398274e-18], [-2.467499658335315e-34, 2.195947815239829e-18, 4.049999838751347]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.56798409e-11 -9.56798409e-11 -9.56798409e-11 -8.31248432e-28
 -1.76125295e-35 -2.40487260e-52]
energy per atom =  -3.3501310210517907
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0