element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:10:39      -49.618152        14.375014
BFGS:    1 15:10:39      -51.067215        15.034054
BFGS:    2 15:10:39      -51.572799         5.184433
BFGS:    3 15:10:40      -51.711394         4.415298
BFGS:    4 15:10:40      -50.690525        14.575091
BFGS:    5 15:10:40      -51.717163         5.285035
BFGS:    6 15:10:41      -51.603624         5.508177
BFGS:    7 15:10:41      -51.721491         3.929124
BFGS:    8 15:10:41      -51.321909        14.895210
BFGS:    9 15:10:41      -51.745438         0.424504
BFGS:   10 15:10:42      -51.746070         0.184213
BFGS:   11 15:10:42      -51.747121         0.374876
BFGS:   12 15:10:42      -51.754677         1.299359
BFGS:   13 15:10:43      -51.762042         1.864674
BFGS:   14 15:10:43      -51.769614         2.276013
BFGS:   15 15:10:43      -51.777399         2.607396
BFGS:   16 15:10:44      -51.785350         2.891985
BFGS:   17 15:10:44      -51.793415         3.146663
Minimization stalled after 18 steps.
Maximum force component: 0.0016377355429946891 eV/Angstrom
Maximum stress component: 0.3248532410544069 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 3.33328987e-01]
 [0.00000000e+00 1.00000000e+00 6.66671013e-01]
 [6.66666667e-01 3.33333333e-01 6.66662320e-01]
 [6.66666667e-01 3.33333333e-01 4.34680355e-06]
 [3.33333333e-01 6.66666667e-01 9.99995653e-01]
 [3.33333333e-01 6.66666667e-01 3.33337680e-01]]
cellpar =  Cell([[2.5026080192062334, -4.808226064745463e-18, -5.824266800774621e-16], [-1.2513040096031167, 2.167322120347253, -1.301524699239663e-15], [-2.828150713507726e-15, -8.497812922530253e-15, 11.673150333162289]])
forces =  [[-3.96787740e-19 -1.19223773e-18  1.63773554e-03]
 [ 3.96787740e-19  1.19223773e-18 -1.63773554e-03]
 [-3.96787740e-19 -1.19223773e-18  1.63773554e-03]
 [ 3.96787740e-19  1.19223773e-18 -1.63773554e-03]
 [-3.96787740e-19 -1.19223773e-18  1.63773554e-03]
 [ 3.96787740e-19  1.19223773e-18 -1.63773554e-03]]
stress =  [ 3.24853241e-01  3.24853241e-01  1.89924681e-02  2.50443794e-16
  8.31249595e-17 -3.86777035e-16]
energy per atom =  -8.525355609529269
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0