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_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_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 10:42:03      -46.376361         5.423456
BFGS:    1 10:42:03      -47.164267         5.081886
BFGS:    2 10:42:04      -47.900909         4.739954
BFGS:    3 10:42:04      -48.586239         4.397741
BFGS:    4 10:42:04      -49.220221         4.055332
BFGS:    5 10:42:04      -49.802833         3.712824
BFGS:    6 10:42:04      -50.334068         3.370317
BFGS:    7 10:42:04      -50.813938         3.028296
BFGS:    8 10:42:04      -51.243389         2.701495
BFGS:    9 10:42:04      -51.625504         2.397058
BFGS:   10 10:42:04      -51.963592         2.114338
BFGS:   11 10:42:04      -52.260856         1.852619
BFGS:   12 10:42:04      -52.520388         1.611115
BFGS:   13 10:42:04      -52.745159         1.388981
BFGS:   14 10:42:04      -52.938006         1.185307
BFGS:   15 10:42:04      -53.101626         0.999127
BFGS:   16 10:42:04      -53.238568         0.829418
BFGS:   17 10:42:04      -53.351221         0.675106
BFGS:   18 10:42:04      -53.441813         0.535062
BFGS:   19 10:42:04      -53.512395         0.408111
BFGS:   20 10:42:04      -53.564840         0.293030
BFGS:   21 10:42:04      -53.600834         0.188547
BFGS:   22 10:42:04      -53.621868         0.093348
BFGS:   23 10:42:04      -53.629214         0.007702
BFGS:   24 10:42:04      -53.629267         0.000328
BFGS:   25 10:42:04      -53.629267         0.000001
BFGS:   26 10:42:05      -53.629267         0.000000
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