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_2005_SiC__MO_903987585848_005
==== 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     -117.947674        0.4218
BFGS:    1 14:34:46     -117.957231        0.2318
BFGS:    2 14:34:46     -117.961758        0.2179
BFGS:    3 14:34:46     -117.963630        0.2001
BFGS:    4 14:34:46     -117.965373        0.1724
BFGS:    5 14:34:46     -117.966594        0.1426
BFGS:    6 14:34:46     -117.969112        0.1042
BFGS:    7 14:34:46     -117.970620        0.0989
BFGS:    8 14:34:46     -117.971073        0.0297
BFGS:    9 14:34:46     -117.971114        0.0083
BFGS:   10 14:34:46     -117.971117        0.0022
BFGS:   11 14:34:46     -117.971117        0.0021
BFGS:   12 14:34:46     -117.971119        0.0008
BFGS:   13 14:34:46     -117.971119        0.0005
BFGS:   14 14:34:46     -117.971119        0.0001
BFGS:   15 14:34:46     -117.971119        0.0000
BFGS:   16 14:34:46     -117.971119        0.0000
BFGS:   17 14:34:46     -117.971119        0.0000
Minimization converged after 17 steps.
Maximum force component: 9.661634339797052e-09 eV/Angstrom
Maximum stress component: 1.5174875032843623e-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 3.34448117e-35 4.68750000e-02]
 [7.95021421e-36 0.00000000e+00 5.46875000e-01]
 [1.26403908e-35 0.00000000e+00 9.53125000e-01]
 [0.00000000e+00 2.14100291e-35 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([[2.521344330651752, 3.9389436262513865e-20, 1.2106585162161844e-38], [-1.260672165325876, 2.1835482420322867, 5.025764042121329e-38], [2.6914325676932956e-37, -1.4482021216870825e-36, 16.469352198038997]])
forces =  [[ 1.34671196e-31 -3.76800341e-31  6.93650196e-09]
 [ 6.21559366e-32  1.79428734e-31  6.93650196e-09]
 [-4.14372911e-32 -3.58857467e-31 -6.93650196e-09]
 [ 5.80122075e-31  1.43542987e-31 -6.93650196e-09]
 [ 2.27905101e-31  3.22971721e-31  9.66163434e-09]
 [ 5.17966138e-32  1.97371607e-31  9.66163434e-09]
 [ 4.55810202e-31 -3.58857467e-31 -9.66163434e-09]
 [-2.90061037e-31  2.15314480e-31 -9.66163434e-09]
 [ 2.27905101e-31  4.66514707e-31  3.93145987e-09]
 [ 1.65749164e-31  2.87085974e-31  3.93145987e-09]
 [-7.25152594e-31  1.07657240e-31 -3.93145987e-09]
 [-1.65749164e-31 -2.87085974e-31 -3.93145987e-09]
 [-7.45871239e-31  7.17714935e-31  4.44920521e-09]
 [ 1.65749164e-31 -2.87085974e-31  4.44920521e-09]
 [ 9.32339049e-32  4.12686087e-31 -4.44920521e-09]
 [-4.97247493e-31 -2.87085974e-31 -4.44920521e-09]]
stress =  [ 7.15688665e-10  7.15688665e-10 -1.51748750e-09 -1.82801552e-32
 -6.33243152e-33 -1.92718570e-25]
energy per atom =  -7.373194935708313
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0