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 17:36:21     -115.829589        9.0514
BFGS:    1 17:36:21     -116.479900        4.1247
BFGS:    2 17:36:21     -117.473898        2.4503
BFGS:    3 17:36:21     -117.984998        3.0251
BFGS:    4 17:36:22     -116.918295       13.7305
BFGS:    5 17:36:22     -118.159702        2.5933
BFGS:    6 17:36:22     -118.254575        1.6145
BFGS:    7 17:36:22     -118.302433        3.0959
BFGS:    8 17:36:22     -118.332877        0.1714
BFGS:    9 17:36:22     -118.334441        0.0420
BFGS:   10 17:36:22     -118.334555        0.0089
BFGS:   11 17:36:22     -118.334555        0.0013
BFGS:   12 17:36:22     -118.334555        0.0000
BFGS:   13 17:36:23     -118.334555        0.0000
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