element(s):
['C', 'O']
AFLOW prototype label:
AB2_cP12_205_a_c
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8857', '0.11528659']
model name:
Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'O']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.11528659 0.11528659 0.11528659]]
spacegroup =  205
cell =  [[5.8857, 0, 0], [0, 5.8857, 0], [0, 0, 5.8857]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:22:50      -43.416660       68.4778
BFGS:    1 17:22:50      -68.400209       36.2221
BFGS:    2 17:22:50      -68.829335       14.8196
BFGS:    3 17:22:50      -70.735085       15.2021
BFGS:    4 17:22:50      -62.524883       61.9816
BFGS:    5 17:22:50      -71.738857        7.5301
BFGS:    6 17:22:50      -71.894146        0.6914
BFGS:    7 17:22:50      -71.895245        0.1031
BFGS:    8 17:22:50      -71.895282        0.0197
BFGS:    9 17:22:50      -71.895305        0.0328
BFGS:   10 17:22:50      -71.895452        0.1693
BFGS:   11 17:22:50      -71.895736        0.3234
BFGS:   12 17:22:50      -71.896478        0.5415
BFGS:   13 17:22:50      -71.897909        0.6793
BFGS:   14 17:22:50      -71.899204        0.5773
BFGS:   15 17:22:50      -71.900023        0.2821
BFGS:   16 17:22:50      -71.900140        0.1008
BFGS:   17 17:22:50      -71.900191        0.0354
BFGS:   18 17:22:50      -71.900214        0.0038
BFGS:   19 17:22:50      -71.900214        0.0001
BFGS:   20 17:22:50      -71.900214        0.0000
BFGS:   21 17:22:50      -71.900214        0.0000
Minimization converged after 21 steps.
Maximum force component: 4.2486711931879985e-11 eV/Angstrom
Maximum stress component: 1.6404692767441967e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']
basis =  [[0.         0.         0.        ]
 [0.5        0.         0.5       ]
 [0.         0.5        0.5       ]
 [0.5        0.5        0.        ]
 [0.12045013 0.12045013 0.12045013]
 [0.37954987 0.87954987 0.62045013]
 [0.87954987 0.62045013 0.37954987]
 [0.62045013 0.37954987 0.87954987]
 [0.87954987 0.87954987 0.87954987]
 [0.62045013 0.12045013 0.37954987]
 [0.12045013 0.37954987 0.62045013]
 [0.37954987 0.62045013 0.12045013]]
cellpar =  Cell([[5.985292877871726, 3.60399298431343e-34, 0.0], [2.097353183519213e-34, 5.985292877871726, 0.0], [0.0, 0.0, 5.985292877871726]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.24867119e-11 -4.24867119e-11 -4.24867119e-11]
 [ 4.24867119e-11  4.24867119e-11 -4.24867119e-11]
 [ 4.24867119e-11 -4.24867119e-11  4.24867119e-11]
 [-4.24867119e-11  4.24867119e-11  4.24867119e-11]
 [ 4.24867119e-11  4.24867119e-11  4.24867119e-11]
 [-4.24867119e-11 -4.24867119e-11  4.24867119e-11]
 [-4.24867119e-11  4.24867119e-11 -4.24867119e-11]
 [ 4.24867119e-11 -4.24867119e-11 -4.24867119e-11]]
stress =  [1.64046928e-12 1.64046928e-12 1.64046928e-12 0.00000000e+00
 0.00000000e+00 5.87216639e-32]
energy per atom =  -5.884218090083485
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0