element(s):
['Al', 'V']
AFLOW prototype label:
A3B_tI8_139_ad_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7755', '2.201907']
model name:
MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.7755, 0, 0], [0, 3.7755, 0], [0, 0, 8.3133]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 03:13:58      -32.750055        1.7013
BFGS:    1 03:13:58      -32.835875        1.5544
BFGS:    2 03:13:58      -32.986494        1.2676
BFGS:    3 03:13:58      -33.104922        1.0001
BFGS:    4 03:13:58      -33.193973        0.7510
BFGS:    5 03:13:58      -33.256490        0.5199
BFGS:    6 03:13:58      -33.295525        0.3067
BFGS:    7 03:13:58      -33.314897        0.4357
BFGS:    8 03:13:58      -33.320859        0.4868
BFGS:    9 03:13:58      -33.328578        0.5117
BFGS:   10 03:13:58      -33.345792        0.5054
BFGS:   11 03:13:58      -33.361286        0.4612
BFGS:   12 03:13:58      -33.376048        0.3948
BFGS:   13 03:13:58      -33.389370        0.3117
BFGS:   14 03:13:58      -33.400196        0.2141
BFGS:   15 03:13:58      -33.407343        0.1016
BFGS:   16 03:13:58      -33.409436        0.0112
BFGS:   17 03:13:58      -33.409489        0.0058
BFGS:   18 03:13:58      -33.409508        0.0000
BFGS:   19 03:13:58      -33.409508        0.0000
BFGS:   20 03:13:58      -33.409508        0.0000
Minimization converged after 20 steps.
Maximum force component: 6.192886005325547e-32 eV/Angstrom
Maximum stress component: 7.16352584932712e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [5.17114488e-36 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.0044047129969265, -3.762983072532855e-36, 5.661115790373608e-32], [-2.0759499471195563e-36, 4.004404712996925, 7.633490399346799e-18], [4.780071238006103e-33, 1.4055661740055835e-17, 8.038825637679034]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.93580989e-32 -4.63823474e-68  6.97786395e-64]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.46790494e-32  1.08280879e-49  6.19288601e-32]
 [ 4.93580989e-32 -2.46790494e-32  6.19288601e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-3.59865422e-11 -3.59865422e-11 -7.16352585e-11  2.19138353e-26
 -1.50265040e-43  5.01741652e-59]
energy per atom =  -4.176188523142763
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0