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 14:48:15      -18.581037       11.0688
BFGS:    1 14:48:15      -20.199363       10.2753
BFGS:    2 14:48:15      -21.589376        7.9532
BFGS:    3 14:48:15      -22.469834        3.2937
BFGS:    4 14:48:15      -22.545371        2.2464
BFGS:    5 14:48:15      -22.586261        0.2758
BFGS:    6 14:48:15      -22.586957        0.0197
BFGS:    7 14:48:15      -22.586961        0.0002
BFGS:    8 14:48:15      -22.586961        0.0000
BFGS:    9 14:48:15      -22.586961        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.962849218634802e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Cr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9203005759951988, 9.655491730997444e-33, -1.1558321770733802e-33], [9.449107530381539e-33, 2.9203005759951988, 1.2994725590119081e-17], [1.67587343496168e-33, 1.2994725590119084e-17, 2.9203005759951983]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.96284922e-14  5.96284922e-14  5.96284922e-14 -4.40334076e-32
  1.95516802e-62  1.07561099e-61]
energy per atom =  -11.293480362053733
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0