element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
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:
['2.6864', '1.708383']
model name:
EDIP_LAMMPS_JustoBazantKaxiras_1998_Si__MO_315965276297_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:07:11        2.533177       43.6467
BFGS:    1 15:07:11       -1.408881       44.7626
BFGS:    2 15:07:11       -4.691544       29.6475
BFGS:    3 15:07:11       -5.951993        3.7680
BFGS:    4 15:07:11       -5.957014        3.4597
BFGS:    5 15:07:11       -6.038730        5.6437
BFGS:    6 15:07:11       -6.244798        7.6507
BFGS:    7 15:07:11       -6.483502        6.7336
BFGS:    8 15:07:11       -6.674192        5.4181
BFGS:    9 15:07:11       -6.830011        4.4989
BFGS:   10 15:07:12       -6.962318        3.9106
BFGS:   11 15:07:12       -7.079578        3.5265
BFGS:   12 15:07:12       -7.186277        3.2230
BFGS:   13 15:07:12       -7.283140        2.8869
BFGS:   14 15:07:12       -7.367549        2.4209
BFGS:   15 15:07:12       -7.434096        1.7462
BFGS:   16 15:07:12       -7.475203        0.8045
BFGS:   17 15:07:12       -7.483351        0.2333
BFGS:   18 15:07:12       -7.484018        0.0141
BFGS:   19 15:07:12       -7.484020        0.0000
BFGS:   20 15:07:12       -7.484020        0.0000
Minimization converged after 20 steps.
Maximum force component: 1.7257870028759475e-33 eV/Angstrom
Maximum stress component: 2.5505852027557224e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.5602281238665765, -2.250238115949787e-17, -6.434587785717948e-35], [-1.2801140619332882, 2.2172225947518287, -1.3690582070497342e-34], [-1.6500196869497423e-35, -1.895618525386021e-34, 6.328974551094754]])
forces =  [[ 9.86164002e-34 -5.69362052e-34 -5.41307515e-49]
 [-1.72578700e-33  7.11702565e-34  3.60871676e-49]]
stress =  [-2.55058520e-10 -2.55058520e-10  1.47540721e-52 -7.63932383e-45
  2.53563765e-34 -1.38339091e-25]
energy per atom =  -3.7420099984595954
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0