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:
EDIP_LAMMPS_JustoBazantKaxiras_1998_Si__MO_315965276297_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 17:55:17       -2.340633         3.874365
BFGS:    1 17:55:17       -3.067218         7.895477
BFGS:    2 17:55:17       -3.081527         6.327487
BFGS:    3 17:55:17       -3.263262         4.356223
BFGS:    4 17:55:17       -3.307663         3.132561
BFGS:    5 17:55:17       -3.398791         3.810993
BFGS:    6 17:55:17       -3.429996         0.796838
BFGS:    7 17:55:17       -3.434077         0.223809
BFGS:    8 17:55:17       -3.434420         0.005534
BFGS:    9 17:55:17       -3.434421         0.000019
BFGS:   10 17:55:17       -3.434421         0.000000
BFGS:   11 17:55:17       -3.434421         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.5334942112677996e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.872976863581656, -1.8754196503511973e-17, -1.5412324544758108e-35], [-1.436488431790828, 2.488070948346653, -6.866401617080597e-35], [3.9520867820553126e-35, -2.8697246240247855e-34, 2.4664287637741733]])
forces =  [[0. 0. 0.]]
stress =  [-2.53349421e-10 -2.53349421e-10 -8.85629264e-11 -1.65648751e-44
  8.99921261e-45  1.39758952e-25]
energy per atom =  -3.434420529510775
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0