element(s):
['Al', 'V']
AFLOW prototype label:
AB3_cP8_223_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8568']
model name:
MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[4.8568, 0, 0], [0, 4.8568, 0], [0, 0, 4.8568]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:03:48      -41.040294        1.2850
BFGS:    1 09:03:48      -41.107059        1.1402
BFGS:    2 09:03:48      -41.249535        0.7638
BFGS:    3 09:03:48      -41.337466        0.4127
BFGS:    4 09:03:48      -41.374535        0.0855
BFGS:    5 09:03:48      -41.376278        0.0038
BFGS:    6 09:03:48      -41.376281        0.0000
BFGS:    7 09:03:48      -41.376281        0.0000
BFGS:    8 09:03:48      -41.376281        0.0000
Minimization converged after 8 steps.
Maximum force component: 5.612454306467912e-32 eV/Angstrom
Maximum stress component: 3.555087121139482e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'V', 'V', 'V', 'V', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [2.75492494e-49 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.967306056388115, -6.998062023597664e-33, 6.1146852629342226e-33], [6.894854633512201e-33, 4.967306056388115, -9.348889648224928e-20], [3.123087199931014e-33, -9.348889648222871e-20, 4.967306056388115]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.18889449e-34  9.56668348e-34 -7.97223623e-34]
 [ 3.06133871e-32 -1.11611307e-33 -4.78334174e-34]
 [-1.27555780e-33  4.78334174e-33  1.59444725e-33]
 [-7.80695426e-65 -5.61245431e-32 -2.64080325e-34]
 [ 1.27555780e-33 -1.27555780e-33  5.10223119e-33]
 [-3.52871033e-65  1.05631132e-51 -5.61245431e-32]]
stress =  [-3.55508712e-15 -3.55508712e-15 -3.55508712e-15 -1.59358493e-30
 -1.17081939e-35 -2.62194946e-51]
energy per atom =  -5.172035135148653
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0