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_PunMishin_2009_NiAl__MO_751354403791_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 13:58:48      -18.523449        0.1271
BFGS:    1 13:58:48      -18.524093        0.1093
BFGS:    2 13:58:48      -18.525912        0.0005
BFGS:    3 13:58:48      -18.525912        0.0000
BFGS:    4 13:58:48      -18.525912        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.628437054693425e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.533169634781631, -1.8606184168302933e-32, -1.7082014637495648e-32], [9.303061663364196e-33, 3.533169634781631, 2.2077794237150954e-20], [6.560752304270514e-33, 2.2077794237141643e-20, 3.533169634781631]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.62843705e-12  1.62843705e-12  1.62843705e-12 -5.36799286e-29
  8.22830223e-35  9.19666183e-51]
energy per atom =  -4.614568130732772
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0