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_NiVH__MO_612225165948_002
==== 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 16:09:21      -41.921305         1.652670
BFGS:    1 16:09:21      -42.035832         1.581408
BFGS:    2 16:09:21      -42.261936         1.434143
BFGS:    3 16:09:21      -42.466317         1.291732
BFGS:    4 16:09:21      -42.649692         1.154044
BFGS:    5 16:09:21      -42.812760         1.020952
BFGS:    6 16:09:21      -42.956201         0.892333
BFGS:    7 16:09:21      -43.080678         0.768066
BFGS:    8 16:09:21      -43.186833         0.648034
BFGS:    9 16:09:21      -43.275294         0.532121
BFGS:   10 16:09:21      -43.346670         0.420217
BFGS:   11 16:09:21      -43.401554         0.312211
BFGS:   12 16:09:21      -43.440523         0.207997
BFGS:   13 16:09:21      -43.464137         0.107472
BFGS:   14 16:09:21      -43.472944         0.010535
BFGS:   15 16:09:21      -43.473031         0.000212
BFGS:   16 16:09:21      -43.473031         0.000000
BFGS:   17 16:09:21      -43.473031         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.7011269577907032e-31 eV/Angstrom
Maximum stress component: 2.4961599562934616e-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([[4.476058864310258, -2.8936289309416557e-32, -5.3945260616820675e-33], [-1.321297197482811e-32, 4.476058864310258, -3.4518425165348605e-18], [2.215038903591516e-33, -3.4518425165348594e-18, 4.476058864310258]])
forces =  [[-6.89646064e-33  4.02293537e-32 -5.86199154e-32]
 [-6.94315543e-32 -6.66657862e-32 -1.09193960e-32]
 [-2.87352527e-32  5.74705053e-33 -2.41376122e-32]
 [-7.12634266e-32 -6.83899013e-32 -3.44823032e-33]
 [ 2.41376122e-32  6.66657862e-32  3.67811234e-32]
 [ 6.09187357e-32  9.10907509e-32  1.70112696e-31]
 [ 5.97693255e-32  5.40222750e-32 -4.08040588e-32]
 [ 8.96539883e-32  9.65504490e-32 -1.36779803e-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 =  [-2.49615996e-12 -2.49615996e-12 -2.49615996e-12 -1.00727921e-29
 -5.12681487e-35  1.72004160e-52]
energy per atom =  -3.6227526024775902
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0