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 15:55:39      -98.332568         2.602471
BFGS:    1 15:55:39      -98.660222         2.626496
BFGS:    2 15:55:39      -99.011240         2.506375
BFGS:    3 15:55:39      -99.351640         2.359235
BFGS:    4 15:55:39      -99.677397         2.201166
BFGS:    5 15:55:39      -99.983815         2.038172
BFGS:    6 15:55:39     -100.268165         1.872988
BFGS:    7 15:55:39     -100.529116         1.706885
BFGS:    8 15:55:39     -100.766080         1.540451
BFGS:    9 15:55:39     -100.978820         1.373947
BFGS:   10 15:55:39     -101.167257         1.207482
BFGS:   11 15:55:39     -101.331375         1.041095
BFGS:   12 15:55:39     -101.471185         0.874791
BFGS:   13 15:55:39     -101.586709         0.708562
BFGS:   14 15:55:39     -101.677964         0.542393
BFGS:   15 15:55:39     -101.744971         0.376266
BFGS:   16 15:55:39     -101.787742         0.210172
BFGS:   17 15:55:39     -101.806291         0.044113
BFGS:   18 15:55:39     -101.807149         0.000490
BFGS:   19 15:55:39     -101.807149         0.000188
BFGS:   20 15:55:39     -101.807149         0.000000
BFGS:   21 15:55:39     -101.807149         0.000000
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