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 14:57:44      -46.376361         5.423456
BFGS:    1 14:57:44      -47.164267         5.081885
BFGS:    2 14:57:44      -47.900909         4.739954
BFGS:    3 14:57:44      -48.586239         4.397740
BFGS:    4 14:57:44      -49.220221         4.055332
BFGS:    5 14:57:44      -49.802833         3.712823
BFGS:    6 14:57:44      -50.334068         3.370317
BFGS:    7 14:57:44      -50.813938         3.028296
BFGS:    8 14:57:45      -51.243389         2.701495
BFGS:    9 14:57:45      -51.625504         2.397058
BFGS:   10 14:57:45      -51.963592         2.114338
BFGS:   11 14:57:45      -52.260856         1.852618
BFGS:   12 14:57:45      -52.520388         1.611115
BFGS:   13 14:57:45      -52.745159         1.388981
BFGS:   14 14:57:45      -52.938006         1.185307
BFGS:   15 14:57:45      -53.101626         0.999127
BFGS:   16 14:57:45      -53.238568         0.829418
BFGS:   17 14:57:45      -53.351221         0.675106
BFGS:   18 14:57:45      -53.441813         0.535062
BFGS:   19 14:57:45      -53.512395         0.408111
BFGS:   20 14:57:45      -53.564840         0.293030
BFGS:   21 14:57:45      -53.600834         0.188547
BFGS:   22 14:57:45      -53.621868         0.093348
BFGS:   23 14:57:45      -53.629214         0.007702
BFGS:   24 14:57:45      -53.629267         0.000328
BFGS:   25 14:57:45      -53.629267         0.000001
BFGS:   26 14:57:45      -53.629267         0.000000
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