element(s):
['Co', 'Cr']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7391']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Cr']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7391, 0, 0], [0, 3.7391, 0], [0, 0, 3.7391]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 19:06:45      -41.421804        7.9048
BFGS:    1 19:06:45      -42.501953        6.4389
BFGS:    2 19:06:45      -43.321243        4.3822
BFGS:    3 19:06:45      -43.778920        1.5863
BFGS:    4 19:06:45      -43.832092        0.3884
BFGS:    5 19:06:45      -43.835118        0.0248
BFGS:    6 19:06:45      -43.835131        0.0004
BFGS:    7 19:06:45      -43.835131        0.0000
BFGS:    8 19:06:45      -43.835131        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.7041571747922e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Cr']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[3.577263401078841, -3.6133854828554876e-32, -2.4676287295450757e-33], [-2.3570672320750327e-32, 3.577263401078841, -3.505316779815822e-18], [8.718286452037865e-33, -3.505316779815833e-18, 3.577263401078841]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.70415717e-13  3.70415717e-13  3.70415717e-13 -1.30345867e-29
  3.21068254e-34 -5.41641805e-51]
energy per atom =  -10.95878267061811
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0