element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Sim_LAMMPS_ReaxFF_SinghSrinivasanNeekAmal_2013_CFH__SM_306840588959_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:12     -109.998179        10.941203
BFGS:    1 15:56:13     -111.170005         9.714919
BFGS:    2 15:56:13     -113.163639         9.999885
BFGS:    3 15:56:13     -114.718932        10.010990
BFGS:    4 15:56:13     -116.054518         9.098015
BFGS:    5 15:56:13     -117.302818         3.612360
BFGS:    6 15:56:13     -117.520328         3.712527
BFGS:    7 15:56:13     -117.592224         0.467575
BFGS:    8 15:56:13     -117.595592         0.042132
BFGS:    9 15:56:13     -117.595676         0.007235
BFGS:   10 15:56:13     -117.595676         0.000455
BFGS:   11 15:56:13     -117.595676         0.000002
BFGS:   12 15:56:13     -117.595676         0.000000
BFGS:   13 15:56:13     -117.595676         0.000000
Minimization converged after 13 steps.
Maximum force component: 8.994180894508863e-11 eV/Angstrom
Maximum stress component: 6.280813045523104e-12 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 =  [[0.16128717 0.16128717 0.16128717]
 [0.83871283 0.83871283 0.16128717]
 [0.83871283 0.16128717 0.83871283]
 [0.16128717 0.83871283 0.83871283]
 [0.16128717 0.16128717 0.83871283]
 [0.83871283 0.83871283 0.83871283]
 [0.16128717 0.83871283 0.16128717]
 [0.83871283 0.16128717 0.16128717]
 [0.66128717 0.66128717 0.66128717]
 [0.33871283 0.33871283 0.66128717]
 [0.33871283 0.66128717 0.33871283]
 [0.66128717 0.33871283 0.33871283]
 [0.66128717 0.66128717 0.33871283]
 [0.33871283 0.33871283 0.33871283]
 [0.66128717 0.33871283 0.66128717]
 [0.33871283 0.66128717 0.66128717]]
cellpar =  Cell([[4.962817383398674, 1.068486285443527e-32, 2.1947494989736835e-32], [1.9096211559799645e-32, 4.962817383398674, 8.66198673890955e-19], [-6.773260194996275e-32, 8.66198673891034e-19, 4.962817383398674]])
forces =  [[ 8.99418089e-11  8.99418089e-11  8.99418089e-11]
 [-8.99418089e-11 -8.99418089e-11  8.99418089e-11]
 [-8.99418089e-11  8.99418089e-11 -8.99418089e-11]
 [ 8.99418089e-11 -8.99418089e-11 -8.99418089e-11]
 [ 8.99418089e-11  8.99418089e-11 -8.99418089e-11]
 [-8.99418089e-11 -8.99418089e-11 -8.99418089e-11]
 [ 8.99418089e-11 -8.99418089e-11  8.99418089e-11]
 [-8.99418089e-11  8.99418089e-11  8.99418089e-11]
 [ 8.99418089e-11  8.99418089e-11  8.99418089e-11]
 [-8.99418089e-11 -8.99418089e-11  8.99418089e-11]
 [-8.99418089e-11  8.99418089e-11 -8.99418089e-11]
 [ 8.99418089e-11 -8.99418089e-11 -8.99418089e-11]
 [ 8.99418089e-11  8.99418089e-11 -8.99418089e-11]
 [-8.99418089e-11 -8.99418089e-11 -8.99418089e-11]
 [ 8.99418089e-11 -8.99418089e-11  8.99418089e-11]
 [-8.99418089e-11  8.99418089e-11  8.99418089e-11]]
stress =  [-6.28081305e-12 -6.28081305e-12 -6.28081305e-12  3.45164156e-27
 -1.06763448e-32  4.70607061e-48]
energy per atom =  -7.252053513388449
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0