element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:26:17      -66.695250        8.8451
BFGS:    1 17:26:17      -68.005559        8.6378
BFGS:    2 17:26:17      -69.305815        8.9337
BFGS:    3 17:26:17      -69.858055        3.2465
BFGS:    4 17:26:17      -69.968440        1.3308
BFGS:    5 17:26:17      -69.941971        3.5283
BFGS:    6 17:26:17      -69.974464        0.2116
BFGS:    7 17:26:17      -69.974599        0.0233
BFGS:    8 17:26:18      -69.974600        0.0003
BFGS:    9 17:26:18      -69.974600        0.0000
BFGS:   10 17:26:18      -69.974600        0.0000
Minimization converged after 10 steps.
Maximum force component: 5.73093801262559e-30 eV/Angstrom
Maximum stress component: 1.8992974096241046e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.18272060e-33 0.00000000e+00 6.77957627e-34]
 [1.60494162e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.68340624e-33]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.632413505787803, -7.874377213636272e-34, 9.95244199523632e-35], [-1.2965837447562446e-33, 3.632413505787803, 5.55033102434278e-19], [2.431504995011803e-34, 5.550331024342783e-19, 3.632413505787803]])
forces =  [[ 1.67152359e-30  4.05941443e-30  7.16367252e-31]
 [-1.19394542e-30 -5.73093801e-30 -1.79091813e-30]
 [ 2.38789084e-30  2.38789084e-30  2.14910175e-30]
 [-1.43273450e-30 -1.19394542e-30 -1.55212905e-30]
 [ 5.61154347e-30  1.31333996e-30  2.00678461e-49]
 [-5.61154347e-30 -3.82062534e-30  3.22365263e-30]
 [ 5.19366257e-30  1.41781019e-30  1.43273450e-30]
 [-3.58183626e-30  3.76092807e-30  1.79091813e-30]]
stress =  [ 1.89929741e-12  1.89929741e-12  1.89929741e-12  4.10213753e-29
  8.08647101e-62 -1.76048060e-61]
energy per atom =  -8.57207882137123
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0