element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
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 =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:39:16       -9.081009        50.872177
BFGS:    1 15:39:16      -14.880467        21.876996
BFGS:    2 15:39:16      -15.396043        13.486341
BFGS:    3 15:39:16      -15.678814         0.426907
BFGS:    4 15:39:17      -15.679096         0.001062
BFGS:    5 15:39:17      -15.679096         0.000000
BFGS:    6 15:39:17      -15.679096         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0809253466773842e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.9393438057867343, 5.743652718262708e-33, -3.435662988772243e-33], [-6.339850981367019e-33, 3.9393438057867343, 3.053482296396758e-18], [-3.846241453996649e-33, 3.0534822963967634e-18, 3.9393438057867343]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.08092535e-14 -2.08092535e-14 -2.08092535e-14 -1.10486534e-30
 -6.61898570e-34 -2.48631331e-49]
energy per atom =  -3.919773934472749
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0