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_JustoBazantKaxiras_1998_Si__MO_315965276297_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        4.922934       32.8156
BFGS:    1 17:15:28       -0.116337       33.8362
BFGS:    2 17:15:28       -5.015700       30.6101
BFGS:    3 17:15:28       -8.992952       21.3065
BFGS:    4 17:15:28      -11.089272        5.7830
BFGS:    5 17:15:28      -11.225326        0.9437
BFGS:    6 17:15:28      -11.228993        0.0081
BFGS:    7 17:15:28      -11.228993        0.0000
BFGS:    8 17:15:28      -11.228993        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.7765536622423175e-12 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 3.77919846e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.77919846e-34]]
cellpar =  Cell([[4.076906709572857, 6.244208329059125e-33, -1.967594885693331e-33], [-6.088505131391831e-36, 4.076906709572857, -1.420013241167439e-17], [1.2746408506132398e-32, -1.4200132411674396e-17, 4.076906709572857]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.77655366e-12 -2.77655366e-12 -2.77655366e-12 -5.19888338e-28
  2.47193848e-34  1.34579920e-50]
energy per atom =  -2.8072482492124893
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0