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 14:39:12       -2.592145       13.6471
BFGS:    1 14:39:12       -4.064067        1.8781
BFGS:    2 14:39:12       -4.072614        1.7005
BFGS:    3 14:39:12       -4.072975        2.2831
BFGS:    4 14:39:12       -4.074682        0.8527
BFGS:    5 14:39:12       -4.077966        0.2582
BFGS:    6 14:39:12       -4.078053        0.0558
BFGS:    7 14:39:12       -4.078056        0.0011
BFGS:    8 14:39:12       -4.078056        0.0000
BFGS:    9 14:39:12       -4.078056        0.0000
BFGS:   10 14:39:12       -4.078056        0.0000
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