element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
model name:
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:59:40      -86.858621        2.7191
BFGS:    1 15:59:40      -87.062864        2.5391
BFGS:    2 15:59:40      -87.305275        2.3095
BFGS:    3 15:59:40      -87.524830        2.0820
BFGS:    4 15:59:40      -87.721745        1.8566
BFGS:    5 15:59:40      -87.896226        1.6333
BFGS:    6 15:59:40      -88.048469        1.4119
BFGS:    7 15:59:40      -88.178663        1.1923
BFGS:    8 15:59:40      -88.286988        0.9745
BFGS:    9 15:59:40      -88.373613        0.7583
BFGS:   10 15:59:40      -88.438704        0.5437
BFGS:   11 15:59:40      -88.482413        0.3307
BFGS:   12 15:59:40      -88.504888        0.1191
BFGS:   13 15:59:40      -88.508252        0.0006
BFGS:   14 15:59:40      -88.508252        0.0000
BFGS:   15 15:59:40      -88.508252        0.0000
BFGS:   16 15:59:40      -88.508252        0.0001
BFGS:   17 15:59:40      -88.508252        0.0002
BFGS:   18 15:59:40      -88.508252        0.0003
BFGS:   19 15:59:40      -88.508252        0.0003
BFGS:   20 15:59:40      -88.508252        0.0002
BFGS:   21 15:59:40      -88.508252        0.0000
BFGS:   22 15:59:40      -88.508252        0.0000
BFGS:   23 15:59:40      -88.508252        0.0000
BFGS:   24 15:59:40      -88.508252        0.0000
BFGS:   25 15:59:40      -88.508252        0.0000
Minimization converged after 25 steps.
Maximum force component: 7.4879101972734e-12 eV/Angstrom
Maximum stress component: 5.485004567121737e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.87141152e-31 5.50965178e-31 4.46368188e-01]
 [0.00000000e+00 1.03900403e-16 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 2.20298478e-01]
 [1.14897458e-17 2.78002376e-31 2.20298478e-01]
 [1.00000000e+00 9.82668568e-31 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 4.46368188e-01]]
cellpar =  Cell([[2.594606525459693, 1.3995478068012078e-17, 9.141632702933188e-37], [-1.2973032627298464, 2.2469951638729704, 8.110541244300581e-33], [1.2302421684411418e-35, -2.686818732993909e-30, 36.416898413716595]])
forces =  [[ 4.54840812e-31  3.93903698e-31 -7.48791020e-12]
 [-4.54840812e-31  7.87807395e-31  7.48791020e-12]
 [-4.54840812e-31  7.87807395e-31 -7.48791020e-12]
 [-2.27420406e-31  3.93903698e-31  7.48791020e-12]
 [-6.82261217e-31  1.18171109e-30 -7.48791020e-12]
 [ 5.68551015e-31  5.90855546e-31  7.48791020e-12]
 [ 3.41130609e-31 -7.87807395e-31 -7.48791020e-12]
 [ 2.27420406e-31  3.93903698e-31  7.48791020e-12]
 [-2.27420406e-31 -3.93903698e-31 -7.48791020e-12]
 [ 2.52957920e-48 -5.52453895e-43  7.48791020e-12]
 [-2.52957920e-48  5.52453895e-43 -7.48791020e-12]
 [ 2.27420406e-31 -5.52452669e-43  7.48791020e-12]]
stress =  [-5.48500457e-11 -5.48500457e-11  1.58316197e-22 -1.63485943e-38
  1.85282735e-47  9.93472526e-27]
energy per atom =  -7.375687694255819
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0