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 10:27:21      -41.421804         7.904825
BFGS:    1 10:27:21      -42.501953         6.438867
BFGS:    2 10:27:21      -43.321243         4.382162
BFGS:    3 10:27:21      -43.778920         1.586323
BFGS:    4 10:27:21      -43.832092         0.388424
BFGS:    5 10:27:21      -43.835118         0.024797
BFGS:    6 10:27:21      -43.835131         0.000355
BFGS:    7 10:27:21      -43.835131         0.000000
BFGS:    8 10:27:22      -43.835131         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.758984114149068e-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([[3.577263401078842, -3.9579487328685517e-32, -2.3031831817215833e-33], [-2.0125038363252936e-32, 3.577263401078842, -3.5053169627849894e-18], [4.2463102041139914e-33, -3.505316962784995e-18, 3.577263401078842]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.75898411e-13  3.75898411e-13  3.75898411e-13  2.38259363e-30
  1.96858785e-61 -7.31587058e-62]
energy per atom =  -10.958782670618099
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0