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:
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 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 14:43:34       -9.059671        0.1440
BFGS:    1 14:43:34       -9.060444        0.1067
BFGS:    2 14:43:34       -9.061400        0.0023
BFGS:    3 14:43:34       -9.061400        0.0000
BFGS:    4 14:43:34       -9.061400        0.0000
BFGS:    5 14:43:34       -9.061400        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.026315443828223e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8770518733472685, -1.713690104499666e-32, 2.160035380460105e-34], [-1.1335283423278285e-32, 2.8770518733472685, 5.196195398084289e-22], [-1.3094177166718761e-33, 5.196195398082512e-22, 2.8770518733472685]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.02631544e-15 -8.02631544e-15 -8.02631544e-15  5.29195621e-33
  4.96368051e-34  4.56272289e-51]
energy per atom =  -4.530699994031176
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0