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:
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002
==== 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 16:40:56      -18.443198         0.284650
BFGS:    1 16:40:56      -18.446414         0.242777
BFGS:    2 16:40:56      -18.455236         0.009279
BFGS:    3 16:40:56      -18.455250         0.000320
BFGS:    4 16:40:56      -18.455250         0.000000
BFGS:    5 16:40:56      -18.455250         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9128215683690997e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.87494182e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5699562398805824, 8.056850117812531e-33, -1.0197869410601163e-32], [3.4526508416841094e-33, 3.5699562398805824, -1.650581486664507e-19], [7.541943771885827e-33, -1.6505814866645879e-19, 3.5699562398805824]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.91282157e-12 -1.91282157e-12 -1.91282157e-12  1.77286649e-28
 -2.01489972e-35  1.62095290e-51]
energy per atom =  -4.613812444546677
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0