element(s):
['Fe', 'V']
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:
['2.9423']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'V']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.9423, 0, 0], [0, 2.9423, 0], [0, 0, 2.9423]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:34:35      -24.589203        44.875080
BFGS:    1 12:34:35      -29.440444        21.522366
BFGS:    2 12:34:36      -31.385875         7.578635
BFGS:    3 12:34:36      -31.745170         2.189909
BFGS:    4 12:34:36      -31.783179         0.330312
BFGS:    5 12:34:36      -31.784195         0.035108
BFGS:    6 12:34:37      -31.784206         0.001570
BFGS:    7 12:34:37      -31.784206         0.000002
BFGS:    8 12:34:37      -31.784206         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.9778420369909056e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'V']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.138432068280921, 4.954514951675425e-33, -1.0778377563408371e-33], [6.132235912784813e-33, 3.138432068280921, -1.4549960007589842e-17], [-5.321557503321931e-33, -1.4549960007589836e-17, 3.138432068280921]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.97784204e-12 -4.97784204e-12 -4.97784204e-12 -9.12549340e-28
  6.67411556e-33  9.17872521e-49]
energy per atom =  -15.892102807308376
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0