element(s):
['Ni', 'V']
AFLOW prototype label:
A2B_oI6_71_e_a
Parameter names:
['a', 'b/a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.603', '0.45495199', '0.34374589', '0.33210893']
model name:
MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'V']
representative atom coordinates =  [[0.33210893 0.         0.        ]
 [0.         0.         0.        ]]
spacegroup =  71
cell =  [[7.603, 0, 0], [0, 2.6135, 0], [0, 0, 3.459]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:34:48      -28.866331        0.9353
BFGS:    1 15:34:48      -28.894829        0.8732
BFGS:    2 15:34:48      -28.965258        0.6794
BFGS:    3 15:34:48      -29.001149        0.5220
BFGS:    4 15:34:48      -29.021266        0.7755
BFGS:    5 15:34:48      -29.038016        0.8972
BFGS:    6 15:34:48      -29.061511        0.8177
BFGS:    7 15:34:48      -29.095960        0.5906
BFGS:    8 15:34:48      -29.124771        0.3514
BFGS:    9 15:34:48      -29.138541        0.0924
BFGS:   10 15:34:48      -29.139135        0.0523
BFGS:   11 15:34:48      -29.139414        0.0435
BFGS:   12 15:34:48      -29.139690        0.0118
BFGS:   13 15:34:48      -29.139712        0.0053
BFGS:   14 15:34:48      -29.139713        0.0037
BFGS:   15 15:34:48      -29.139713        0.0033
BFGS:   16 15:34:48      -29.139715        0.0024
BFGS:   17 15:34:48      -29.139717        0.0030
BFGS:   18 15:34:48      -29.139719        0.0024
BFGS:   19 15:34:48      -29.139720        0.0009
BFGS:   20 15:34:48      -29.139720        0.0002
BFGS:   21 15:34:48      -29.139720        0.0000
BFGS:   22 15:34:48      -29.139720        0.0000
BFGS:   23 15:34:48      -29.139720        0.0000
BFGS:   24 15:34:48      -29.139720        0.0000
Minimization converged after 24 steps.
Maximum force component: 5.109474135456262e-09 eV/Angstrom
Maximum stress component: 7.874575919530848e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'V', 'V']
basis =  [[3.25577146e-01 2.39080886e-35 0.00000000e+00]
 [6.74422854e-01 1.83919379e-35 2.18337461e-16]
 [8.25577146e-01 5.00000000e-01 5.00000000e-01]
 [1.74422854e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 1.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.978389635721315, -3.9684773152788973e-36, -2.0789990186412003e-15], [0.0, 2.6631139440563873, 5.0626309182306875e-21], [0.0, 6.45022801158798e-21, 3.3791342726022267]])
forces =  [[ 5.10947414e-09 -2.54146928e-45 -1.33142052e-24]
 [-5.10947414e-09  2.54146932e-45  1.33142055e-24]
 [ 5.10947414e-09 -2.54146928e-45 -1.33142052e-24]
 [-5.10947414e-09  2.54146936e-45  1.33142057e-24]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 7.87457592e-10  3.82599264e-10 -7.78938227e-10 -2.19461803e-25
  0.00000000e+00  0.00000000e+00]
energy per atom =  -4.856619956185726
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0