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 15:49:19      -54.955644        25.416259
BFGS:    1 15:49:19      -61.555207        23.984136
BFGS:    2 15:49:19      -65.700497        22.668233
BFGS:    3 15:49:19      -69.225677        21.339446
BFGS:    4 15:49:19      -72.323579        19.990246
BFGS:    5 15:49:19      -75.093105        18.592250
BFGS:    6 15:49:19      -77.597650        17.090577
BFGS:    7 15:49:19      -79.875211        15.421868
BFGS:    8 15:49:19      -81.935926        13.547033
BFGS:    9 15:49:19      -83.755833        11.471611
BFGS:   10 15:49:19      -85.289770         9.235311
BFGS:   11 15:49:19      -86.497540         6.887909
BFGS:   12 15:49:19      -87.354757         4.476471
BFGS:   13 15:49:19      -87.849293         2.045764
BFGS:   14 15:49:19      -88.005102         0.831170
BFGS:   15 15:49:19      -88.084773         0.764003
BFGS:   16 15:49:19      -88.204623         0.625235
BFGS:   17 15:49:19      -88.301411         0.493750
BFGS:   18 15:49:19      -88.375665         0.366464
BFGS:   19 15:49:19      -88.428201         0.243509
BFGS:   20 15:49:19      -88.459791         0.124657
BFGS:   21 15:49:19      -88.471190         0.009581
BFGS:   22 15:49:19      -88.471253         0.000194
BFGS:   23 15:49:19      -88.471253         0.000000
BFGS:   24 15:49:19      -88.471253         0.000000
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