element(s):
['Al', 'V']
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:
['3.9835']
model name:
MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'V']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.9835, 0, 0], [0, 3.9835, 0], [0, 0, 3.9835]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:41:54      -16.702088         0.264276
BFGS:    1 12:41:55      -16.704846         0.222823
BFGS:    2 12:41:55      -16.711802         0.007909
BFGS:    3 12:41:55      -16.711812         0.000249
BFGS:    4 12:41:55      -16.711812         0.000000
BFGS:    5 12:41:55      -16.711812         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.733486476494924e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'V']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.14558445e-41]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.008237710286028, -9.35591767667464e-35, 4.797014079843412e-38], [-1.4467834313089603e-36, 4.008237710286028, -4.748037348373224e-25], [-1.3136896036874945e-36, -4.748037348238742e-25, 4.008237710286028]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.73348648e-13 -6.73348648e-13 -6.73348648e-13  5.20433178e-30
  2.55736234e-34 -5.66388928e-52]
energy per atom =  -4.177952891638795
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0