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 16:38:48      -46.287794        11.693633
BFGS:    1 16:38:48      -47.979677        10.774632
BFGS:    2 16:38:48      -49.496851         9.366755
BFGS:    3 16:38:48      -50.759978         7.363277
BFGS:    4 16:38:48      -51.676250         4.670040
BFGS:    5 16:38:48      -52.114853         1.024249
BFGS:    6 16:38:48      -52.132043         0.224899
BFGS:    7 16:38:48      -52.132866         0.007357
BFGS:    8 16:38:48      -52.132867         0.000050
BFGS:    9 16:38:48      -52.132867         0.000000
BFGS:   10 16:38:48      -52.132867         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8167739893464976e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co', 'Co', 'Co']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.99652931e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.49578432e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.4270860087602113, -1.2917746945520146e-32, -8.48773004819372e-33], [-9.606589794014365e-33, 3.4270860087602113, 1.671862849742962e-17], [8.23266607038854e-33, 1.6718628497429613e-17, 3.4270860087602113]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.81677399e-15  1.81677399e-15  1.81677399e-15 -4.05243642e-33
  1.39929470e-33  6.95364485e-51]
energy per atom =  -13.03321678029038
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0