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:
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_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 17:41:49      -98.332568        2.6025
BFGS:    1 17:41:49      -98.660222        2.6265
BFGS:    2 17:41:49      -99.011240        2.5064
BFGS:    3 17:41:49      -99.351640        2.3592
BFGS:    4 17:41:49      -99.677397        2.2012
BFGS:    5 17:41:49      -99.983815        2.0382
BFGS:    6 17:41:49     -100.268165        1.8730
BFGS:    7 17:41:49     -100.529116        1.7069
BFGS:    8 17:41:49     -100.766080        1.5405
BFGS:    9 17:41:49     -100.978820        1.3739
BFGS:   10 17:41:49     -101.167257        1.2075
BFGS:   11 17:41:49     -101.331375        1.0411
BFGS:   12 17:41:49     -101.471185        0.8748
BFGS:   13 17:41:49     -101.586709        0.7086
BFGS:   14 17:41:49     -101.677964        0.5424
BFGS:   15 17:41:49     -101.744971        0.3763
BFGS:   16 17:41:49     -101.787742        0.2102
BFGS:   17 17:41:49     -101.806291        0.0441
BFGS:   18 17:41:49     -101.807149        0.0005
BFGS:   19 17:41:49     -101.807149        0.0002
BFGS:   20 17:41:49     -101.807149        0.0000
BFGS:   21 17:41:49     -101.807149        0.0000
Minimization converged after 21 steps.
Maximum force component: 3.635496426922224e-11 eV/Angstrom
Maximum stress component: 2.2764474983153542e-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 =  [[0.15932395 0.15932395 0.15932395]
 [0.84067605 0.84067605 0.15932395]
 [0.84067605 0.15932395 0.84067605]
 [0.15932395 0.84067605 0.84067605]
 [0.15932395 0.15932395 0.84067605]
 [0.84067605 0.84067605 0.84067605]
 [0.15932395 0.84067605 0.15932395]
 [0.84067605 0.15932395 0.15932395]
 [0.65932395 0.65932395 0.65932395]
 [0.34067605 0.34067605 0.65932395]
 [0.34067605 0.65932395 0.34067605]
 [0.65932395 0.34067605 0.34067605]
 [0.65932395 0.65932395 0.34067605]
 [0.34067605 0.34067605 0.34067605]
 [0.65932395 0.34067605 0.65932395]
 [0.34067605 0.65932395 0.65932395]]
cellpar =  Cell([[5.135612084375007, 1.746779070659035e-32, -8.19678600250551e-33], [5.142863181958025e-33, 5.135612084375007, 1.176395628336655e-18], [8.167635859625517e-33, 1.1763956283366386e-18, 5.135612084375007]])
forces =  [[ 3.63549643e-11  3.63549643e-11  3.63549643e-11]
 [-3.63549643e-11 -3.63549643e-11  3.63549643e-11]
 [-3.63549643e-11  3.63549643e-11 -3.63549643e-11]
 [ 3.63549643e-11 -3.63549643e-11 -3.63549643e-11]
 [ 3.63549643e-11  3.63549643e-11 -3.63549643e-11]
 [-3.63549643e-11 -3.63549643e-11 -3.63549643e-11]
 [ 3.63549643e-11 -3.63549643e-11  3.63549643e-11]
 [-3.63549643e-11  3.63549643e-11  3.63549643e-11]
 [ 3.63549643e-11  3.63549643e-11  3.63549643e-11]
 [-3.63549643e-11 -3.63549643e-11  3.63549643e-11]
 [-3.63549643e-11  3.63549643e-11 -3.63549643e-11]
 [ 3.63549643e-11 -3.63549643e-11 -3.63549643e-11]
 [ 3.63549643e-11  3.63549643e-11 -3.63549643e-11]
 [-3.63549643e-11 -3.63549643e-11 -3.63549643e-11]
 [ 3.63549643e-11 -3.63549643e-11  3.63549643e-11]
 [-3.63549643e-11  3.63549643e-11  3.63549643e-11]]
stress =  [-2.27644750e-11 -2.27644750e-11 -2.27644750e-11  3.51791301e-30
  1.86937326e-33  9.25251472e-52]
energy per atom =  -6.362946799140785
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0