element(s):
['V']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0482']
model name:
Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['V']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.0482, 0, 0], [0, 3.0482, 0], [0, 0, 3.0482]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:25:16      -11.115899         1.633057
BFGS:    1 16:25:16      -11.203779         0.866016
BFGS:    2 16:25:16      -11.235081         0.090010
BFGS:    3 16:25:16      -11.235400         0.004197
BFGS:    4 16:25:16      -11.235401         0.000019
BFGS:    5 16:25:16      -11.235401         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.956731723689968e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['V', 'V']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.976109837491656, -1.0364192408267405e-32, 6.745245546687554e-34], [-9.806338882841979e-33, 2.976109837491656, 3.3958711466704183e-18], [9.489201233715056e-33, 3.39587114667042e-18, 2.976109837491656]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.95673172e-10 -2.95673172e-10 -2.95673172e-10 -8.33952542e-26
  1.85550140e-33  3.55495348e-49]
energy per atom =  -5.617700426706474
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0