element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:41:53      -46.376361        5.4235
BFGS:    1 16:41:53      -47.164267        5.0819
BFGS:    2 16:41:53      -47.900909        4.7400
BFGS:    3 16:41:53      -48.586239        4.3977
BFGS:    4 16:41:53      -49.220221        4.0553
BFGS:    5 16:41:53      -49.802833        3.7128
BFGS:    6 16:41:53      -50.334068        3.3703
BFGS:    7 16:41:53      -50.813938        3.0283
BFGS:    8 16:41:53      -51.243389        2.7015
BFGS:    9 16:41:53      -51.625504        2.3971
BFGS:   10 16:41:53      -51.963592        2.1143
BFGS:   11 16:41:53      -52.260856        1.8526
BFGS:   12 16:41:53      -52.520388        1.6111
BFGS:   13 16:41:53      -52.745159        1.3890
BFGS:   14 16:41:53      -52.938006        1.1853
BFGS:   15 16:41:53      -53.101626        0.9991
BFGS:   16 16:41:53      -53.238568        0.8294
BFGS:   17 16:41:53      -53.351221        0.6751
BFGS:   18 16:41:53      -53.441813        0.5351
BFGS:   19 16:41:53      -53.512395        0.4081
BFGS:   20 16:41:53      -53.564840        0.2930
BFGS:   21 16:41:53      -53.600834        0.1885
BFGS:   22 16:41:53      -53.621868        0.0933
BFGS:   23 16:41:53      -53.629214        0.0077
BFGS:   24 16:41:53      -53.629267        0.0003
BFGS:   25 16:41:53      -53.629267        0.0000
BFGS:   26 16:41:53      -53.629267        0.0000
Minimization converged after 26 steps.
Maximum force component: 2.549481542004285e-31 eV/Angstrom
Maximum stress component: 2.20326942434212e-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 =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[5.170962891188038, -2.3669441922948662e-33, 1.8933995048204257e-33], [-7.793860838937301e-33, 5.170962891188038, -2.0617848143589635e-17], [-2.2465915169851043e-33, -2.0617848143589632e-17, 5.170962891188038]])
forces =  [[-1.27474077e-31 -8.49827181e-32 -8.49827181e-32]
 [-4.24913590e-32  8.49827181e-32 -1.27474077e-31]
 [ 2.12456795e-32 -2.12456795e-32  6.37370386e-32]
 [ 4.24913590e-32  4.24913590e-32 -4.24913590e-32]
 [-8.49827181e-32  8.49827181e-32 -4.24913590e-32]
 [ 4.24913590e-32  4.24913590e-32 -8.49827181e-32]
 [-4.24913590e-32  1.69965436e-31 -4.24913590e-32]
 [-1.27474077e-31  5.83496793e-65 -4.66759015e-65]
 [-8.49827181e-32  8.49827181e-32 -4.24913590e-32]
 [ 8.49827181e-32 -3.88997862e-65  3.11172677e-65]
 [-8.49827181e-32  4.24913590e-32 -8.49827181e-32]
 [-2.54948154e-31  8.49827181e-32 -4.24913590e-32]
 [-1.69965436e-31 -4.24913590e-32 -4.24913590e-32]
 [-2.12456795e-31  1.27474077e-31 -5.08269198e-49]
 [-4.24913590e-32  4.24913590e-32  4.24913590e-32]
 [-4.24913590e-32  1.94498931e-65 -1.55586338e-65]]
stress =  [-2.20326942e-11 -2.20326942e-11 -2.20326942e-11 -2.28569269e-28
 -3.15283493e-60 -1.61067150e-60]
energy per atom =  -3.3518292066600406
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0