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:
SW_LeeHwang_2012LDA_Si__MO_517338295712_001
==== 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 10:55:34       -1.680261         8.582884
BFGS:    1 10:55:34       -2.304759         3.067849
BFGS:    2 10:55:34       -2.423606         0.492460
BFGS:    3 10:55:34       -2.427460         0.158752
BFGS:    4 10:55:34       -2.427807         0.049296
BFGS:    5 10:55:34       -2.427881         0.017184
BFGS:    6 10:55:34       -2.427884         0.002098
BFGS:    7 10:55:34       -2.427884         0.000149
BFGS:    8 10:55:34       -2.427884         0.000005
BFGS:    9 10:55:34       -2.427884         0.000000
BFGS:   10 10:55:34       -2.427884         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.628191012459007e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.864777404736997, 2.7195386620263802e-17, -1.7863064872341467e-36], [-1.4323887023684985, 2.480970008689894, -2.9582194199263862e-36], [-2.9319362130980463e-35, -1.9123506358830094e-34, 2.6178285730346045]])
forces =  [[0. 0. 0.]]
stress =  [-5.62819101e-11 -5.62819101e-11 -3.14050220e-11 -1.01779614e-45
  4.38628913e-46  1.76706566e-27]
energy per atom =  -2.4278842095969053
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0