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_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 17:42:23      -98.332568        2.6025
BFGS:    1 17:42:23      -98.660222        2.6265
BFGS:    2 17:42:23      -99.011240        2.5064
BFGS:    3 17:42:23      -99.351640        2.3592
BFGS:    4 17:42:23      -99.677397        2.2012
BFGS:    5 17:42:23      -99.983815        2.0382
BFGS:    6 17:42:23     -100.268165        1.8730
BFGS:    7 17:42:23     -100.529116        1.7069
BFGS:    8 17:42:23     -100.766080        1.5405
BFGS:    9 17:42:23     -100.978820        1.3739
BFGS:   10 17:42:23     -101.167257        1.2075
BFGS:   11 17:42:23     -101.331375        1.0411
BFGS:   12 17:42:23     -101.471185        0.8748
BFGS:   13 17:42:23     -101.586709        0.7086
BFGS:   14 17:42:23     -101.677964        0.5424
BFGS:   15 17:42:23     -101.744971        0.3763
BFGS:   16 17:42:23     -101.787742        0.2102
BFGS:   17 17:42:23     -101.806291        0.0441
BFGS:   18 17:42:23     -101.807149        0.0005
BFGS:   19 17:42:23     -101.807149        0.0002
BFGS:   20 17:42:23     -101.807149        0.0000
BFGS:   21 17:42:23     -101.807149        0.0000
Minimization converged after 21 steps.
Maximum force component: 3.634019147962893e-11 eV/Angstrom
Maximum stress component: 2.2762757010171464e-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([[5.1356120843750075, 8.440789371068408e-33, -1.2298909712245827e-32], [1.5877747608512126e-32, 5.1356120843750075, 4.607056981359501e-18], [1.2180201941066666e-32, 4.607056981359469e-18, 5.1356120843750075]])
forces =  [[ 3.63401915e-11  3.63401915e-11  3.63401915e-11]
 [-3.63401915e-11 -3.63401915e-11  3.63401915e-11]
 [-3.63401915e-11  3.63401915e-11 -3.63401915e-11]
 [ 3.63401915e-11 -3.63401915e-11 -3.63401915e-11]
 [ 3.63401915e-11  3.63401915e-11 -3.63401915e-11]
 [-3.63401915e-11 -3.63401915e-11 -3.63401915e-11]
 [ 3.63401915e-11 -3.63401915e-11  3.63401915e-11]
 [-3.63401915e-11  3.63401915e-11  3.63401915e-11]
 [ 3.63401915e-11  3.63401915e-11  3.63401915e-11]
 [-3.63401915e-11 -3.63401915e-11  3.63401915e-11]
 [-3.63401915e-11  3.63401915e-11 -3.63401915e-11]
 [ 3.63401915e-11 -3.63401915e-11 -3.63401915e-11]
 [ 3.63401915e-11  3.63401915e-11 -3.63401915e-11]
 [-3.63401915e-11 -3.63401915e-11 -3.63401915e-11]
 [ 3.63401915e-11 -3.63401915e-11  3.63401915e-11]
 [-3.63401915e-11  3.63401915e-11  3.63401915e-11]]
stress =  [-2.27627570e-11 -2.27627570e-11 -2.27627570e-11  2.59428596e-29
 -3.11562210e-34 -2.63047363e-52]
energy per atom =  -6.362946799140803
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0