element(s):
['Si']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6513', '0.93471127']
model name:
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:32:00       -2.592145        13.647115
BFGS:    1 15:32:00       -4.064067         1.878051
BFGS:    2 15:32:00       -4.072614         1.700456
BFGS:    3 15:32:00       -4.072975         2.283104
BFGS:    4 15:32:00       -4.074682         0.852712
BFGS:    5 15:32:00       -4.077966         0.258173
BFGS:    6 15:32:00       -4.078053         0.055804
BFGS:    7 15:32:00       -4.078056         0.001075
BFGS:    8 15:32:00       -4.078056         0.000019
BFGS:    9 15:32:00       -4.078056         0.000000
BFGS:   10 15:32:00       -4.078056         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6755048084909702e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.782902242767854, -4.9499071019036945e-17, 3.3924274034096e-36], [-1.391451121383927, 2.410064038485651, 1.0303978733218832e-37], [-1.3758230165479167e-34, 2.9254147834325245e-35, 2.463263619616442]])
forces =  [[0. 0. 0.]]
stress =  [-1.67550481e-10 -1.67550481e-10 -7.92281720e-12  1.82903713e-45
 -9.40640955e-45 -7.31313205e-26]
energy per atom =  -4.078055670177866
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0