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 17:16:02       -9.081009       50.8722
BFGS:    1 17:16:02      -14.880467       21.8770
BFGS:    2 17:16:02      -15.396043       13.4863
BFGS:    3 17:16:02      -15.678814        0.4269
BFGS:    4 17:16:02      -15.679096        0.0011
BFGS:    5 17:16:02      -15.679096        0.0000
BFGS:    6 17:16:02      -15.679096        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0809253466773832e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.47381594e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.77792262e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9393438057867343, 9.64413148894351e-33, 6.609826570692155e-33], [1.0806910302545347e-32, 3.9393438057867343, 3.1582243054184974e-18], [2.160931603748307e-33, 3.158224305418502e-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 -2.98642926e-30
  1.32379714e-34  1.24814742e-50]
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