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:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 10:52:37       -2.592145        13.647114
BFGS:    1 10:52:37       -4.064067         1.878050
BFGS:    2 10:52:37       -4.072614         1.700456
BFGS:    3 10:52:37       -4.072975         2.283104
BFGS:    4 10:52:38       -4.074682         0.852711
BFGS:    5 10:52:38       -4.077966         0.258173
BFGS:    6 10:52:38       -4.078053         0.055804
BFGS:    7 10:52:38       -4.078056         0.001075
BFGS:    8 10:52:38       -4.078056         0.000019
BFGS:    9 10:52:38       -4.078056         0.000000
BFGS:   10 10:52:38       -4.078056         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6758221008958992e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7829022427678525, 2.78419511743541e-17, 2.2585707617521165e-36], [-1.3914511213839262, 2.41006403848565, -2.1579346759392629e-35], [2.1620701255718795e-36, 6.916675706866036e-34, 2.4632636196164417]])
forces =  [[0. 0. 0.]]
stress =  [-1.67582210e-10 -1.67582210e-10 -7.92616670e-12  4.41766929e-44
 -8.20577678e-46  1.53943985e-27]
energy per atom =  -4.078055670177868
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0