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:
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_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 17:15:28       -9.081009       50.8722
BFGS:    1 17:15:28      -14.880467       21.8770
BFGS:    2 17:15:28      -15.396043       13.4863
BFGS:    3 17:15:28      -15.678814        0.4269
BFGS:    4 17:15:28      -15.679096        0.0011
BFGS:    5 17:15:28      -15.679096        0.0000
BFGS:    6 17:15:28      -15.679096        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.672661211574151e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.22224033e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.11120163e-36]]
cellpar =  Cell([[3.939343805786734, 3.1411546334508063e-32, 2.04755191597521e-33], [2.5415614203621514e-33, 3.939343805786734, -2.3253776435105223e-19], [1.4762721428870767e-32, -2.3253776435107664e-19, 3.939343805786734]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.67266121e-14 -4.67266121e-14 -4.67266121e-14  5.18225749e-30
  1.32379714e-34 -1.38815284e-50]
energy per atom =  -3.9197739344727465
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0