element(s):
['C', 'V']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1908']
model name:
Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'V']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.1908, 0, 0], [0, 4.1908, 0], [0, 0, 4.1908]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:18:48      -48.731028         1.055677
BFGS:    1 20:18:49      -48.777313         1.018599
BFGS:    2 20:18:49      -48.919344         0.904563
BFGS:    3 20:18:49      -49.045424         0.804790
BFGS:    4 20:18:49      -49.157736         0.720019
BFGS:    5 20:18:49      -49.258590         0.651301
BFGS:    6 20:18:49      -49.350488         0.599945
BFGS:    7 20:18:49      -49.436128         0.567366
BFGS:    8 20:18:49      -49.518596         0.558853
BFGS:    9 20:18:49      -49.604316         0.635159
BFGS:   10 20:18:49      -49.732757         1.240019
BFGS:   11 20:18:49      -49.870162         0.276618
BFGS:   12 20:18:49      -49.869772         0.330393
BFGS:   13 20:18:49      -49.872052         0.005235
BFGS:   14 20:18:50      -49.872055         0.000046
BFGS:   15 20:18:50      -49.872055         0.000000
BFGS:   16 20:18:50      -49.872055         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.284779643889534e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'V', 'V', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.53469102e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 6.90610960e-49]
 [9.20814613e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.458407303158358, -3.3615196555653496e-32, -2.701301813347543e-33], [1.0847913247468575e-32, 4.458407303158358, -3.292567425176394e-17], [-6.269121971509479e-33, -3.2925674251763923e-17, 4.458407303158358]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.28477964e-14 -8.28477964e-14 -8.28477964e-14 -1.25560644e-30
 -2.64575540e-32  9.56518920e-49]
energy per atom =  -6.179888819759504
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0