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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:02:51      -46.287794        11.693633
BFGS:    1 16:02:51      -47.979677        10.774632
BFGS:    2 16:02:51      -49.496851         9.366755
BFGS:    3 16:02:51      -50.759978         7.363277
BFGS:    4 16:02:51      -51.676250         4.670040
BFGS:    5 16:02:51      -52.114853         1.024249
BFGS:    6 16:02:51      -52.132043         0.224899
BFGS:    7 16:02:51      -52.132866         0.007357
BFGS:    8 16:02:51      -52.132867         0.000050
BFGS:    9 16:02:51      -52.132867         0.000000
BFGS:   10 16:02:51      -52.132867         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.412364322930896e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co', 'Co', 'Co']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 5.6197304e-35]]
cellpar =  Cell([[3.4270860087602117, 4.321418080145957e-33, 2.1711944678125485e-32], [-3.158198861015615e-33, 3.4270860087602117, 2.7396333749222496e-18], [-2.2300371599000167e-33, 2.7396333749222727e-18, 3.4270860087602117]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.41236432e-15  7.41236432e-15  7.41236432e-15 -5.25948879e-30
 -8.74559186e-35  3.04119007e-50]
energy per atom =  -13.033216780290381
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0