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:
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000
==== 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 12:22:57      -42.150782         0.053907
BFGS:    1 12:22:58      -42.150902         0.049272
BFGS:    2 12:22:58      -42.151509         0.000295
BFGS:    3 12:22:58      -42.151509         0.000002
BFGS:    4 12:22:58      -42.151509         0.000000
Minimization converged after 4 steps.
Maximum force component: 1.9384636895395406e-32 eV/Angstrom
Maximum stress component: 4.13838385804635e-12 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 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [2.44894656e-40 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.71800574636562, 8.708624698739616e-34, -2.557419748580543e-34], [8.708634701079498e-34, 4.71800574636562, 1.2432592873985934e-21], [3.271889441498572e-34, 1.2432592874007704e-21, 4.71800574636562]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.69231845e-33  1.93846369e-32  1.93846369e-32]
 [-7.26923884e-33 -5.10811795e-54 -1.93846369e-32]
 [ 1.93846369e-32  1.09038583e-32  1.93846369e-32]
 [ 1.93846369e-32  1.45384777e-32  1.93846369e-32]
 [ 1.93846369e-32  2.55405898e-54  9.69231845e-33]
 [ 1.93846369e-32 -1.93846369e-32  1.45384777e-32]]
stress =  [-4.13838386e-12 -4.13838386e-12 -4.13838386e-12 -1.03148299e-28
  4.03766549e-35  6.75198415e-52]
energy per atom =  -5.268938661974188
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0