element(s):
['H', 'V']
AFLOW prototype label:
A2B_cF12_225_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:
['4.2363']
model name:
MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'V']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[4.2363, 0, 0], [0, 4.2363, 0], [0, 0, 4.2363]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:05:27      -41.921305         1.652670
BFGS:    1 15:05:27      -42.035832         1.581408
BFGS:    2 15:05:27      -42.261936         1.434143
BFGS:    3 15:05:27      -42.466317         1.291732
BFGS:    4 15:05:27      -42.649692         1.154044
BFGS:    5 15:05:27      -42.812760         1.020952
BFGS:    6 15:05:27      -42.956201         0.892333
BFGS:    7 15:05:27      -43.080678         0.768066
BFGS:    8 15:05:27      -43.186833         0.648034
BFGS:    9 15:05:27      -43.275294         0.532121
BFGS:   10 15:05:27      -43.346670         0.420217
BFGS:   11 15:05:27      -43.401554         0.312211
BFGS:   12 15:05:27      -43.440523         0.207997
BFGS:   13 15:05:27      -43.464137         0.107472
BFGS:   14 15:05:27      -43.472944         0.010535
BFGS:   15 15:05:27      -43.473031         0.000212
BFGS:   16 15:05:28      -43.473031         0.000000
BFGS:   17 15:05:28      -43.473031         0.000000
Minimization converged after 17 steps.
Maximum force component: 4.418583883290191e-31 eV/Angstrom
Maximum stress component: 2.4947164409235043e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'V', 'V', 'V', 'V']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.24147499e-17 1.04829500e-16 1.04829500e-16]
 [5.24147499e-17 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.04829500e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.04829500e-16]]
cellpar =  Cell([[4.47605886431026, -1.879967877102538e-32, 3.34707993050798e-33], [-8.352121856954284e-34, 4.47605886431026, -2.1942711617943365e-18], [-3.343853360161436e-33, -2.19427116179432e-18, 4.47605886431026]])
forces =  [[ 3.21834830e-32 -4.16086459e-31  1.78158567e-32]
 [ 1.14941011e-33  4.41858388e-31  2.12640870e-32]
 [ 4.02293537e-33 -4.22982919e-31  5.28728649e-32]
 [ 3.44823032e-32  4.37350546e-31  8.96539883e-32]
 [ 1.37929213e-32 -3.40225392e-31  3.39075981e-32]
 [-4.74131669e-32  3.90943113e-31  3.62064184e-32]
 [-2.98846628e-32  3.95397077e-31 -1.43676263e-31]
 [-5.74705053e-34 -3.37926571e-31 -1.98847948e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.49471644e-12 -2.49471644e-12 -2.49471644e-12  5.84753618e-32
 -7.11345563e-34  3.72954272e-52]
energy per atom =  -3.622752602477597
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0