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 16:40:44      -18.523449         0.127096
BFGS:    1 16:40:44      -18.524093         0.109273
BFGS:    2 16:40:44      -18.525912         0.000478
BFGS:    3 16:40:44      -18.525912         0.000001
BFGS:    4 16:40:44      -18.525912         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6284370546934256e-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, 1.6280424343331912e-32, -9.024685307489413e-33], [-5.233163085747521e-33, 3.533169634781631, 2.2083079735649354e-20], [-7.732634671318519e-33, 2.208307973565691e-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 -3.40942671e-28
  8.22830223e-35 -6.92856008e-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