element(s):
['Ni', 'V']
AFLOW prototype label:
AB3_cP8_223_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7127']
model name:
MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[4.7127, 0, 0], [0, 4.7127, 0], [0, 0, 4.7127]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:19:54      -41.835616         0.142432
BFGS:    1 11:19:54      -41.836449         0.130508
BFGS:    2 11:19:54      -41.840857         0.002111
BFGS:    3 11:19:54      -41.840859         0.000032
BFGS:    4 11:19:54      -41.840859         0.000000
Minimization converged after 4 steps.
Maximum force component: 2.913384592398388e-32 eV/Angstrom
Maximum stress component: 6.122336478211049e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'V', 'V', 'V', 'V', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 6.36580244e-37]
 [5.00000000e-01 7.50000000e-01 2.54632098e-36]
 [2.89483180e-49 5.00000000e-01 2.50000000e-01]
 [1.15793272e-48 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.72723677087935, 2.172984785822916e-33, -2.5251656835841107e-33], [1.3906966802367404e-32, 4.72723677087935, -7.991684256121234e-20], [2.2908760001909029e-32, -7.991684256122844e-20, 4.72723677087935]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.71128197e-33  1.94225639e-32 -3.28350379e-52]
 [-9.71128197e-33 -1.94225639e-32 -9.71128197e-33]
 [ 1.22693523e-64  9.71128197e-33  1.94225639e-32]
 [-1.94225639e-32  2.91338459e-32 -1.94225639e-32]
 [ 9.71128197e-33 -2.46262784e-52  1.45669230e-32]
 [-1.94225639e-32 -1.94225639e-32 -1.94225639e-32]]
stress =  [-6.12233648e-10 -6.12233648e-10 -6.12233648e-10  1.77673582e-25
 -2.60139621e-57  2.38071692e-58]
energy per atom =  -5.230107314990015
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0