element(s):
['V']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8599']
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 =  225
cell =  [[3.8599, 0, 0], [0, 3.8599, 0], [0, 0, 3.8599]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:21:43      -21.558436        0.6684
BFGS:    1 17:21:43      -21.575947        0.5541
BFGS:    2 17:21:43      -21.614282        0.0031
BFGS:    3 17:21:43      -21.614283        0.0000
BFGS:    4 17:21:43      -21.614283        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.345386034930581e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['V', 'V', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.88881663e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.8062541517815065, 5.213020894688118e-37, -8.571574039070923e-37], [-5.1999694727321664e-37, 3.8062541517815065, -6.007124156256535e-22], [-7.155286953342826e-33, -6.007124156170185e-22, 3.8062541517815065]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [4.34538603e-11 4.34538603e-11 4.34538603e-11 1.92973983e-26
 3.54497887e-35 1.57428731e-50]
energy per atom =  -5.4035707731960505
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0