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:
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_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 16:41:18      -46.376361        5.4235
BFGS:    1 16:41:18      -47.164267        5.0819
BFGS:    2 16:41:18      -47.900909        4.7400
BFGS:    3 16:41:18      -48.586239        4.3977
BFGS:    4 16:41:18      -49.220221        4.0553
BFGS:    5 16:41:18      -49.802833        3.7128
BFGS:    6 16:41:18      -50.334068        3.3703
BFGS:    7 16:41:18      -50.813938        3.0283
BFGS:    8 16:41:18      -51.243389        2.7015
BFGS:    9 16:41:18      -51.625504        2.3971
BFGS:   10 16:41:18      -51.963592        2.1143
BFGS:   11 16:41:18      -52.260856        1.8526
BFGS:   12 16:41:18      -52.520388        1.6111
BFGS:   13 16:41:18      -52.745159        1.3890
BFGS:   14 16:41:18      -52.938006        1.1853
BFGS:   15 16:41:18      -53.101626        0.9991
BFGS:   16 16:41:18      -53.238568        0.8294
BFGS:   17 16:41:18      -53.351221        0.6751
BFGS:   18 16:41:18      -53.441813        0.5351
BFGS:   19 16:41:18      -53.512395        0.4081
BFGS:   20 16:41:18      -53.564840        0.2930
BFGS:   21 16:41:18      -53.600834        0.1885
BFGS:   22 16:41:18      -53.621868        0.0933
BFGS:   23 16:41:18      -53.629214        0.0077
BFGS:   24 16:41:18      -53.629267        0.0003
BFGS:   25 16:41:18      -53.629267        0.0000
BFGS:   26 16:41:18      -53.629267        0.0000
Minimization converged after 26 steps.
Maximum force component: 8.073358216346902e-31 eV/Angstrom
Maximum stress component: 2.203284623296795e-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, -1.7766432670082422e-33, 1.769280144960616e-32], [-4.126234787665391e-34, 5.170962891188038, 8.307788010391698e-18], [7.574317777276607e-33, 8.307788010391686e-18, 5.170962891188038]])
forces =  [[ 2.03439082e-65 -2.54948154e-31 -4.09605573e-49]
 [ 1.27474077e-31  3.39930872e-31  8.49827181e-32]
 [-8.49827181e-32  8.49827181e-32  1.69965436e-31]
 [-1.69965436e-31  8.49827181e-32  4.67404949e-31]
 [ 4.24913590e-32  4.24913590e-32  3.82422231e-31]
 [-5.94879026e-31  4.24913590e-31 -5.09896308e-31]
 [ 8.49827181e-32  1.69965436e-31 -8.49827181e-32]
 [ 8.49827181e-32  1.69965436e-31  2.73070382e-49]
 [-2.97439513e-31 -2.54948154e-31  1.69965436e-31]
 [ 4.52636405e-64 -2.12456795e-31  2.97439513e-31]
 [-2.03439082e-65  2.54948154e-31  4.09605573e-49]
 [-2.54948154e-31  4.24913590e-32 -5.09896308e-31]
 [ 1.69532568e-65 -2.12456795e-31 -3.41337978e-49]
 [ 1.69965436e-31  1.27474077e-31 -5.09896308e-31]
 [-1.27474077e-31  8.49827181e-32  8.07335822e-31]
 [-8.49827181e-32 -8.49827181e-32 -1.36535191e-49]]
stress =  [-2.20328462e-11 -2.20328462e-11 -2.20328462e-11  2.55650743e-27
 -1.92073025e-35  2.20209046e-51]
energy per atom =  -3.3518292066600397
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0