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 14:39:12       -2.340633        3.8744
BFGS:    1 14:39:12       -3.067218        7.8955
BFGS:    2 14:39:12       -3.081527        6.3275
BFGS:    3 14:39:12       -3.263262        4.3562
BFGS:    4 14:39:12       -3.307663        3.1326
BFGS:    5 14:39:12       -3.398791        3.8110
BFGS:    6 14:39:12       -3.429996        0.7968
BFGS:    7 14:39:12       -3.434077        0.2238
BFGS:    8 14:39:12       -3.434420        0.0055
BFGS:    9 14:39:12       -3.434421        0.0000
BFGS:   10 14:39:12       -3.434421        0.0000
BFGS:   11 14:39:12       -3.434421        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.533318157907666e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.8729768635816573, -6.286830752427247e-17, -2.1056164926518496e-36], [-1.4364884317908286, 2.4880709483466545, -5.8493509702999746e-36], [1.7500679783211298e-34, -4.7984689578022616e-36, 2.4664287637741733]])
forces =  [[0. 0. 0.]]
stress =  [-2.53331816e-10 -2.53331816e-10 -8.85608542e-11 -4.99477844e-46
  1.79932030e-44 -3.99268117e-26]
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