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 16:29:57      -48.731028         1.055677
BFGS:    1 16:29:58      -48.777313         1.018599
BFGS:    2 16:29:58      -48.919344         0.904563
BFGS:    3 16:29:58      -49.045424         0.804790
BFGS:    4 16:29:59      -49.157736         0.720019
BFGS:    5 16:29:59      -49.258590         0.651301
BFGS:    6 16:30:00      -49.350488         0.599945
BFGS:    7 16:30:00      -49.436128         0.567366
BFGS:    8 16:30:00      -49.518596         0.558853
BFGS:    9 16:30:01      -49.604316         0.635159
BFGS:   10 16:30:01      -49.732757         1.240019
BFGS:   11 16:30:01      -49.870162         0.276618
BFGS:   12 16:30:02      -49.869772         0.330393
BFGS:   13 16:30:02      -49.872052         0.005235
BFGS:   14 16:30:02      -49.872055         0.000046
BFGS:   15 16:30:03      -49.872055         0.000000
BFGS:   16 16:30:03      -49.872055         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2444590536225904e-12 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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.91163391e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.45581696e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 3.06938204e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 3.45581696e-34 5.00000000e-01]]
cellpar =  Cell([[4.4584073031583635, 3.329236839343555e-33, -7.620784627475073e-33], [-2.2216269903116404e-33, 4.4584073031583635, 2.092335100683297e-17], [1.371085260293626e-32, 2.0923351006832948e-17, 4.4584073031583635]])
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 =  [-1.24445905e-12 -1.24445905e-12 -1.24445905e-12 -3.61694214e-28
 -1.03349820e-34 -2.87302729e-50]
energy per atom =  -6.179888819759491
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0