element(s):
['Al', 'Co']
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:
['3.6669']
model name:
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.6669, 0, 0], [0, 3.6669, 0], [0, 0, 3.6669]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:40:56      -17.901274         0.459015
BFGS:    1 16:40:56      -17.909649         0.392275
BFGS:    2 16:40:56      -17.931228         0.026803
BFGS:    3 16:40:56      -17.931322         0.001414
BFGS:    4 16:40:56      -17.931322         0.000005
BFGS:    5 16:40:56      -17.931322         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.881538509888168e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co', 'Co', 'Co']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.88611879e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.14761908e-37]]
cellpar =  Cell([[3.6277024022869195, -1.0066987019351386e-32, 1.6128887169392103e-33], [-6.80669727649855e-33, 3.6277024022869195, 2.222133354077653e-20], [-1.0874082032047669e-32, 2.2221333540783608e-20, 3.6277024022869195]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.88153851e-11 -6.88153851e-11 -6.88153851e-11 -1.89479794e-28
  1.17075809e-34 -5.99610731e-51]
energy per atom =  -4.482830549367625
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0