element(s):
['Co', 'Cr']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1963']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Cr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.1963, 0, 0], [0, 3.1963, 0], [0, 0, 3.1963]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:23:11      -18.581037        11.068833
BFGS:    1 11:23:11      -20.199363        10.275265
BFGS:    2 11:23:11      -21.589376         7.953235
BFGS:    3 11:23:11      -22.469834         3.293740
BFGS:    4 11:23:11      -22.545371         2.246443
BFGS:    5 11:23:11      -22.586261         0.275830
BFGS:    6 11:23:11      -22.586957         0.019668
BFGS:    7 11:23:11      -22.586961         0.000192
BFGS:    8 11:23:11      -22.586961         0.000000
BFGS:    9 11:23:11      -22.586961         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.488283699224228e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Cr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.920300575995199, 9.754365563769587e-33, -1.2913186574089471e-33], [8.833588052447964e-33, 2.920300575995199, 1.299473288591543e-17], [1.5283258405551969e-33, 1.2994732885915435e-17, 2.9203005759951988]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.48828370e-14  6.48828370e-14  6.48828370e-14 -5.42700038e-31
  6.15882579e-63 -1.88224179e-62]
energy per atom =  -11.293480362053737
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0