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:
SW_LeeHwang_2012GGA_Si__MO_040570764911_001
==== 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 15:08:10        2.336642       23.0644
BFGS:    1 15:08:10       -0.502720       16.5156
BFGS:    2 15:08:10       -2.451824       10.7862
BFGS:    3 15:08:10       -3.587039        6.0102
BFGS:    4 15:08:10       -4.092096        2.0014
BFGS:    5 15:08:10       -4.159625        0.3160
BFGS:    6 15:08:10       -4.161785        0.2067
BFGS:    7 15:08:10       -4.162768        0.2482
BFGS:    8 15:08:10       -4.164523        0.2130
BFGS:    9 15:08:10       -4.165313        0.0960
BFGS:   10 15:08:10       -4.165457        0.0192
BFGS:   11 15:08:10       -4.165465        0.0027
BFGS:   12 15:08:10       -4.165465        0.0002
BFGS:   13 15:08:10       -4.165465        0.0000
BFGS:   14 15:08:10       -4.165465        0.0000
BFGS:   15 15:08:10       -4.165465        0.0000
Minimization converged after 15 steps.
Maximum force component: 3.095003261846036e-33 eV/Angstrom
Maximum stress component: 2.3499817180207426e-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([[3.013157946307166, 1.4558461846201248e-17, 1.3714468837408746e-35], [-1.506578973153583, 2.6094713271169536, -7.976052103775078e-35], [-1.2801959617916582e-34, -3.4964210437742374e-34, 4.920466323027601]])
forces =  [[-3.09500326e-33 -1.49539081e-50 -1.40869900e-68]
 [ 1.68049005e-33  7.74789091e-34 -1.39972257e-68]]
stress =  [-2.34998172e-10 -2.34998172e-10 -7.64212823e-11  2.55994361e-33
  1.10848810e-33  6.39527159e-26]
energy per atom =  -2.0827324778022653
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0