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_GWZBL_Samolyuk_2016_SiC__SM_720598599889_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      -54.955644       25.4163
BFGS:    1 17:36:21      -61.555207       23.9841
BFGS:    2 17:36:21      -65.700497       22.6682
BFGS:    3 17:36:21      -69.225677       21.3394
BFGS:    4 17:36:21      -72.323579       19.9902
BFGS:    5 17:36:21      -75.093105       18.5922
BFGS:    6 17:36:21      -77.597650       17.0906
BFGS:    7 17:36:21      -79.875211       15.4219
BFGS:    8 17:36:21      -81.935926       13.5470
BFGS:    9 17:36:21      -83.755833       11.4716
BFGS:   10 17:36:21      -85.289770        9.2353
BFGS:   11 17:36:21      -86.497540        6.8879
BFGS:   12 17:36:21      -87.354757        4.4765
BFGS:   13 17:36:21      -87.849293        2.0458
BFGS:   14 17:36:21      -88.005102        0.8312
BFGS:   15 17:36:21      -88.084773        0.7640
BFGS:   16 17:36:21      -88.204623        0.6252
BFGS:   17 17:36:21      -88.301411        0.4938
BFGS:   18 17:36:21      -88.375665        0.3665
BFGS:   19 17:36:21      -88.428201        0.2435
BFGS:   20 17:36:21      -88.459791        0.1247
BFGS:   21 17:36:21      -88.471190        0.0096
BFGS:   22 17:36:21      -88.471253        0.0002
BFGS:   23 17:36:21      -88.471253        0.0000
BFGS:   24 17:36:21      -88.471253        0.0000
Minimization converged after 24 steps.
Maximum force component: 1.84184725472993e-10 eV/Angstrom
Maximum stress component: 1.6189141438564598e-11 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 =  [[0.15113123 0.15113123 0.15113123]
 [0.34886877 0.84886877 0.65113123]
 [0.84886877 0.65113123 0.34886877]
 [0.65113123 0.34886877 0.84886877]
 [0.65113123 0.65113123 0.65113123]
 [0.84886877 0.34886877 0.15113123]
 [0.34886877 0.15113123 0.84886877]
 [0.15113123 0.84886877 0.34886877]
 [0.84886877 0.84886877 0.84886877]
 [0.65113123 0.15113123 0.34886877]
 [0.15113123 0.34886877 0.65113123]
 [0.34886877 0.65113123 0.15113123]
 [0.34886877 0.34886877 0.34886877]
 [0.15113123 0.65113123 0.84886877]
 [0.65113123 0.84886877 0.15113123]
 [0.84886877 0.15113123 0.65113123]]
cellpar =  Cell([[4.763864788288756, 8.682087829450344e-36, 0.0], [-1.69148549035983e-36, 4.763864788288756, 0.0], [0.0, 0.0, 4.763864788288756]])
forces =  [[ 1.84184725e-10  1.84184725e-10  1.84184725e-10]
 [-1.84184725e-10 -1.84184725e-10  1.84184725e-10]
 [-1.84184725e-10  1.84184725e-10 -1.84184725e-10]
 [ 1.84184725e-10 -1.84184725e-10 -1.84184725e-10]
 [ 1.84184725e-10  1.84184725e-10  1.84184725e-10]
 [-1.84184725e-10 -1.84184725e-10  1.84184725e-10]
 [-1.84184725e-10  1.84184725e-10 -1.84184725e-10]
 [ 1.84184725e-10 -1.84184725e-10 -1.84184725e-10]
 [-1.84184725e-10 -1.84184725e-10 -1.84184725e-10]
 [ 1.84184725e-10  1.84184725e-10 -1.84184725e-10]
 [ 1.84184725e-10 -1.84184725e-10  1.84184725e-10]
 [-1.84184725e-10  1.84184725e-10  1.84184725e-10]
 [-1.84184725e-10 -1.84184725e-10 -1.84184725e-10]
 [ 1.84184725e-10  1.84184725e-10 -1.84184725e-10]
 [ 1.84184725e-10 -1.84184725e-10  1.84184725e-10]
 [-1.84184725e-10  1.84184725e-10  1.84184725e-10]]
stress =  [-1.61891414e-11 -1.61891414e-11 -1.61891414e-11  0.00000000e+00
  0.00000000e+00 -2.89667876e-33]
energy per atom =  -5.529453285657618
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0