element(s):
['Ni', '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:
['3.5108', '2.0410733']
model name:
MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Ni', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.5108, 0, 0], [0, 3.5108, 0], [0, 0, 7.1658]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:37      -37.841445        1.0089
BFGS:    1 15:45:37      -37.878527        0.9170
BFGS:    2 15:45:37      -37.978989        0.6122
BFGS:    3 15:45:37      -38.038454        0.3285
BFGS:    4 15:45:37      -38.060285        0.0657
BFGS:    5 15:45:37      -38.060694        0.0895
BFGS:    6 15:45:37      -38.060919        0.0971
BFGS:    7 15:45:37      -38.061882        0.1106
BFGS:    8 15:45:37      -38.063265        0.1056
BFGS:    9 15:45:37      -38.064942        0.0676
BFGS:   10 15:45:37      -38.065722        0.0237
BFGS:   11 15:45:37      -38.065861        0.0051
BFGS:   12 15:45:37      -38.065870        0.0004
BFGS:   13 15:45:37      -38.065871        0.0001
BFGS:   14 15:45:37      -38.065871        0.0000
BFGS:   15 15:45:37      -38.065871        0.0000
BFGS:   16 15:45:37      -38.065871        0.0000
Minimization converged after 16 steps.
Maximum force component: 3.99891281841889e-31 eV/Angstrom
Maximum stress component: 7.834726343213e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [3.66021360e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 1.71018885e-33 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.71018885e-33 7.50000000e-01]
 [1.89869104e-49 3.42037771e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.13708359e-34]]
cellpar =  Cell([[3.6036814362661898, -6.89272451481641e-37, 2.919717587426571e-33], [-3.594291833328165e-37, 3.6036814362661893, -1.8542166024127124e-17], [-3.4669441198842715e-33, -3.8227023308202043e-17, 7.209563355774671]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.06833464e-64  1.17796110e-48 -2.22161823e-31]
 [-8.32852559e-33  1.59298854e-69 -6.74780584e-66]
 [-1.92300235e-64 -2.12032998e-48  3.99891282e-31]
 [ 8.32852559e-33 -1.20741013e-48  2.27715869e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.68897586e-12 -5.68897586e-12  7.83472634e-12  1.50109412e-27
 -1.78152189e-44 -1.97674380e-60]
energy per atom =  -4.758233813525203
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0