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 15:42:31      -98.332568         2.602471
BFGS:    1 15:42:31      -98.660222         2.626495
BFGS:    2 15:42:31      -99.011240         2.506374
BFGS:    3 15:42:31      -99.351640         2.359235
BFGS:    4 15:42:31      -99.677397         2.201166
BFGS:    5 15:42:31      -99.983815         2.038172
BFGS:    6 15:42:31     -100.268165         1.872988
BFGS:    7 15:42:31     -100.529116         1.706885
BFGS:    8 15:42:31     -100.766080         1.540451
BFGS:    9 15:42:31     -100.978820         1.373947
BFGS:   10 15:42:31     -101.167257         1.207482
BFGS:   11 15:42:31     -101.331375         1.041094
BFGS:   12 15:42:31     -101.471185         0.874791
BFGS:   13 15:42:32     -101.586709         0.708562
BFGS:   14 15:42:32     -101.677964         0.542393
BFGS:   15 15:42:32     -101.744971         0.376266
BFGS:   16 15:42:32     -101.787742         0.210172
BFGS:   17 15:42:32     -101.806291         0.044113
BFGS:   18 15:42:32     -101.807149         0.000490
BFGS:   19 15:42:32     -101.807149         0.000188
BFGS:   20 15:42:32     -101.807149         0.000000
BFGS:   21 15:42:32     -101.807149         0.000000
Minimization converged after 21 steps.
Maximum force component: 3.632397644105778e-11 eV/Angstrom
Maximum stress component: 2.2762067897130212e-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, -6.389349546844261e-32, 2.996042207428341e-32], [-5.840054004029629e-32, 5.1356120843750075, 7.4642135861593e-18], [-7.156476441589031e-32, 7.464213586159384e-18, 5.1356120843750075]])
forces =  [[ 3.63239764e-11  3.63239764e-11  3.63239764e-11]
 [-3.63239764e-11 -3.63239764e-11  3.63239764e-11]
 [-3.63239764e-11  3.63239764e-11 -3.63239764e-11]
 [ 3.63239764e-11 -3.63239764e-11 -3.63239764e-11]
 [ 3.63239764e-11  3.63239764e-11 -3.63239764e-11]
 [-3.63239764e-11 -3.63239764e-11 -3.63239764e-11]
 [ 3.63239764e-11 -3.63239764e-11  3.63239764e-11]
 [-3.63239764e-11  3.63239764e-11  3.63239764e-11]
 [ 3.63239764e-11  3.63239764e-11  3.63239764e-11]
 [-3.63239764e-11 -3.63239764e-11  3.63239764e-11]
 [-3.63239764e-11  3.63239764e-11 -3.63239764e-11]
 [ 3.63239764e-11 -3.63239764e-11 -3.63239764e-11]
 [ 3.63239764e-11  3.63239764e-11 -3.63239764e-11]
 [-3.63239764e-11 -3.63239764e-11 -3.63239764e-11]
 [ 3.63239764e-11 -3.63239764e-11  3.63239764e-11]
 [-3.63239764e-11  3.63239764e-11  3.63239764e-11]]
stress =  [-2.27620679e-11 -2.27620679e-11 -2.27620679e-11 -4.37314228e-27
  3.11562210e-34  7.13502338e-50]
energy per atom =  -6.3629467991408015
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0