element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:34:46     -117.947673        0.4218
BFGS:    1 14:34:46     -117.957230        0.2318
BFGS:    2 14:34:46     -117.961757        0.2179
BFGS:    3 14:34:46     -117.963628        0.2001
BFGS:    4 14:34:46     -117.965371        0.1724
BFGS:    5 14:34:46     -117.966593        0.1426
BFGS:    6 14:34:46     -117.969111        0.1042
BFGS:    7 14:34:46     -117.970619        0.0989
BFGS:    8 14:34:46     -117.971071        0.0297
BFGS:    9 14:34:46     -117.971113        0.0083
BFGS:   10 14:34:46     -117.971116        0.0022
BFGS:   11 14:34:46     -117.971116        0.0021
BFGS:   12 14:34:46     -117.971117        0.0008
BFGS:   13 14:34:46     -117.971118        0.0005
BFGS:   14 14:34:46     -117.971118        0.0001
BFGS:   15 14:34:46     -117.971118        0.0000
BFGS:   16 14:34:46     -117.971118        0.0000
BFGS:   17 14:34:46     -117.971118        0.0000
Minimization converged after 17 steps.
Maximum force component: 9.661912196442631e-09 eV/Angstrom
Maximum stress component: 1.5174910204676593e-09 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 =  [[0.00000000e+00 0.00000000e+00 4.68750000e-02]
 [1.77411332e-35 1.12466187e-35 5.46875000e-01]
 [3.90334532e-36 0.00000000e+00 9.53125000e-01]
 [0.00000000e+00 4.01315432e-36 4.53125000e-01]
 [3.33333333e-01 6.66666667e-01 7.81250000e-02]
 [6.66666667e-01 3.33333333e-01 5.78125000e-01]
 [6.66666667e-01 3.33333333e-01 9.21875000e-01]
 [3.33333333e-01 6.66666667e-01 4.21875000e-01]
 [3.33333333e-01 6.66666667e-01 1.71875000e-01]
 [6.66666667e-01 3.33333333e-01 6.71875000e-01]
 [6.66666667e-01 3.33333333e-01 8.28125000e-01]
 [3.33333333e-01 6.66666667e-01 3.28125000e-01]
 [3.33333333e-01 6.66666667e-01 7.96875000e-01]
 [6.66666667e-01 3.33333333e-01 2.96875000e-01]
 [6.66666667e-01 3.33333333e-01 2.03125000e-01]
 [3.33333333e-01 6.66666667e-01 7.03125000e-01]]
cellpar =  Cell([[2.521344333622638, -5.501582690108205e-20, -6.583589231141887e-37], [-1.260672166811319, 2.183548244605152, -1.422646216582772e-36], [-5.0743372806514536e-36, -1.5422284910492446e-35, 16.469352217444737]])
forces =  [[ 4.14372911e-31 -6.49543811e-45  6.93642413e-09]
 [ 3.31498329e-31 -2.87085974e-31  6.93642413e-09]
 [-1.65749164e-31  4.30628961e-31 -6.93642413e-09]
 [ 3.31498329e-31 -2.87085974e-31 -6.93642413e-09]
 [-1.65749164e-31 -9.04763594e-45  9.66191220e-09]
 [ 2.48623747e-31 -1.43542987e-31  9.66191220e-09]
 [ 2.48623747e-31 -1.43542987e-31 -9.66191220e-09]
 [-1.65749164e-31  2.87085974e-31 -9.66191220e-09]
 [-1.65749164e-31  8.61257922e-31  3.93142076e-09]
 [ 6.21559367e-31 -7.17714935e-32  3.93142076e-09]
 [ 4.14372911e-31 -7.17714935e-31 -3.93142076e-09]
 [-1.36743061e-30  3.58857468e-31 -3.93142076e-09]
 [ 3.31498329e-31 -5.74171948e-31  4.44916301e-09]
 [ 6.62996658e-31 -4.16631431e-45  4.44916301e-09]
 [ 3.31498329e-31 -5.74171948e-31 -4.44916301e-09]
 [ 6.42278012e-31  3.58857468e-32 -4.44916301e-09]]
stress =  [ 7.15690167e-10  7.15690167e-10 -1.51749102e-09 -3.11161115e-42
 -1.07787987e-42  3.49698265e-25]
energy per atom =  -7.373194853240523
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0