element(s):
['Co', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6559']
model name:
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.6559, 0, 0], [0, 3.6559, 0], [0, 0, 3.6559]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 19:07:02      -17.428051        1.3073
BFGS:    1 19:07:02      -17.497243        1.1612
BFGS:    2 19:07:02      -17.639530        0.7244
BFGS:    3 19:07:02      -17.710907        0.2144
BFGS:    4 19:07:02      -17.716994        0.0239
BFGS:    5 19:07:02      -17.717067        0.0007
BFGS:    6 19:07:02      -17.717067        0.0000
BFGS:    7 19:07:02      -17.717067        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4850172563864378e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Ni']
basis =  [[3.87654379e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.07359624e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.07359624e-17]
 [0.00000000e+00 6.07359624e-17 6.07359624e-17]]
cellpar =  Cell([[3.5300917703395247, 3.247664976094862e-32, 1.3458858691553773e-33], [1.3923895315290972e-32, 3.5300917703395247, -2.502101591087171e-18], [-1.0769946028025264e-32, -2.5021015910871583e-18, 3.5300917703395247]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.48501726e-11 -1.48501726e-11 -1.48501726e-11  5.96894147e-30
  2.47279707e-34 -1.68092389e-50]
energy per atom =  -4.42926684003883
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0