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 15:35:51      -37.841445         1.008916
BFGS:    1 15:35:51      -37.878527         0.916952
BFGS:    2 15:35:51      -37.978989         0.612232
BFGS:    3 15:35:51      -38.038454         0.328549
BFGS:    4 15:35:51      -38.060285         0.065675
BFGS:    5 15:35:51      -38.060694         0.089453
BFGS:    6 15:35:51      -38.060919         0.097087
BFGS:    7 15:35:51      -38.061882         0.110600
BFGS:    8 15:35:51      -38.063265         0.105614
BFGS:    9 15:35:51      -38.064942         0.067550
BFGS:   10 15:35:51      -38.065722         0.023650
BFGS:   11 15:35:51      -38.065861         0.005071
BFGS:   12 15:35:51      -38.065870         0.000428
BFGS:   13 15:35:51      -38.065871         0.000052
BFGS:   14 15:35:51      -38.065871         0.000002
BFGS:   15 15:35:51      -38.065871         0.000000
BFGS:   16 15:35:51      -38.065871         0.000000
Minimization converged after 16 steps.
Maximum force component: 6.664854697364815e-31 eV/Angstrom
Maximum stress component: 7.833810911860723e-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]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [1.22962011e-34 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 2.13708359e-34]]
cellpar =  Cell([[3.603681436266188, 1.6173677592756758e-36, -3.08062676163858e-32], [8.706474262529868e-37, 3.6036814362661884, 1.3783061514725241e-17], [-1.0180517372378189e-32, 2.770979135774987e-17, 7.209563355774671]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.39190611e-64 -2.22094016e-32 -3.11026553e-31]
 [ 1.25492614e-64  3.33141023e-32 -8.88647293e-32]
 [ 9.41147651e-64  5.55235039e-32 -6.66485470e-31]
 [ 4.23502358e-64 -3.33141023e-32 -2.99918461e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.69000075e-12 -5.69000075e-12  7.83381091e-12 -6.32962999e-27
  4.59596613e-34 -4.08421894e-49]
energy per atom =  -4.7582338135252025
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0