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 13:58:59      -17.901274        0.4590
BFGS:    1 13:58:59      -17.909649        0.3923
BFGS:    2 13:58:59      -17.931228        0.0268
BFGS:    3 13:58:59      -17.931322        0.0014
BFGS:    4 13:58:59      -17.931322        0.0000
BFGS:    5 13:58:59      -17.931322        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.88151432474785e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co', 'Co', 'Co']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 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, -1.4331731071022027e-33, 6.8524895209743665e-34], [-1.0033275567160358e-33, 3.6277024022869195, -1.792092658812131e-20], [1.2894337961735534e-34, -1.7920926588121304e-20, 3.6277024022869195]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.88151432e-11 -6.88151432e-11 -6.88151432e-11  5.62529108e-27
 -1.56101079e-34  1.26289204e-50]
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