element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
Sim_LAMMPS_ReaxFF_SinghSrinivasanNeekAmal_2013_CFH__SM_306840588959_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:49:19     -115.829589         9.051444
BFGS:    1 15:49:19     -116.479900         4.124693
BFGS:    2 15:49:20     -117.473898         2.450290
BFGS:    3 15:49:20     -117.984998         3.025117
BFGS:    4 15:49:20     -116.918295        13.730542
BFGS:    5 15:49:20     -118.159702         2.593338
BFGS:    6 15:49:20     -118.254575         1.614536
BFGS:    7 15:49:21     -118.302433         3.095922
BFGS:    8 15:49:21     -118.332877         0.171399
BFGS:    9 15:49:21     -118.334441         0.041988
BFGS:   10 15:49:21     -118.334555         0.008869
BFGS:   11 15:49:21     -118.334555         0.001282
BFGS:   12 15:49:21     -118.334555         0.000002
BFGS:   13 15:49:21     -118.334555         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.6142701851883793e-09 eV/Angstrom
Maximum stress component: 1.0303443244726208e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.15124621 0.15124621 0.15124621]
 [0.34875379 0.84875379 0.65124621]
 [0.84875379 0.65124621 0.34875379]
 [0.65124621 0.34875379 0.84875379]
 [0.65124621 0.65124621 0.65124621]
 [0.84875379 0.34875379 0.15124621]
 [0.34875379 0.15124621 0.84875379]
 [0.15124621 0.84875379 0.34875379]
 [0.84875379 0.84875379 0.84875379]
 [0.65124621 0.15124621 0.34875379]
 [0.15124621 0.34875379 0.65124621]
 [0.34875379 0.65124621 0.15124621]
 [0.34875379 0.34875379 0.34875379]
 [0.15124621 0.65124621 0.84875379]
 [0.65124621 0.84875379 0.15124621]
 [0.84875379 0.15124621 0.65124621]]
cellpar =  Cell([[4.43884227370563, 1.2682242529825677e-35, 0.0], [1.5947968140304206e-35, 4.43884227370563, 0.0], [0.0, 0.0, 4.43884227370563]])
forces =  [[ 3.61427019e-09  3.61427019e-09  3.61427019e-09]
 [-3.61427019e-09 -3.61427019e-09  3.61427019e-09]
 [-3.61427019e-09  3.61427019e-09 -3.61427019e-09]
 [ 3.61427019e-09 -3.61427019e-09 -3.61427019e-09]
 [ 3.61427019e-09  3.61427019e-09  3.61427019e-09]
 [-3.61427019e-09 -3.61427019e-09  3.61427019e-09]
 [-3.61427019e-09  3.61427019e-09 -3.61427019e-09]
 [ 3.61427019e-09 -3.61427019e-09 -3.61427019e-09]
 [-3.61427019e-09 -3.61427019e-09 -3.61427019e-09]
 [ 3.61427019e-09  3.61427019e-09 -3.61427019e-09]
 [ 3.61427019e-09 -3.61427019e-09  3.61427019e-09]
 [-3.61427019e-09  3.61427019e-09  3.61427019e-09]
 [-3.61427019e-09 -3.61427019e-09 -3.61427019e-09]
 [ 3.61427019e-09  3.61427019e-09 -3.61427019e-09]
 [ 3.61427019e-09 -3.61427019e-09  3.61427019e-09]
 [-3.61427019e-09  3.61427019e-09  3.61427019e-09]]
stress =  [-1.03034432e-09 -1.03034432e-09 -1.03034432e-09  0.00000000e+00
  0.00000000e+00  3.33641266e-33]
energy per atom =  -7.298233438452833
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0