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_2012LDA_Si__MO_517338295712_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 15:59:09       -0.705038        17.505889
BFGS:    1 15:59:09       -2.822451        11.461211
BFGS:    2 15:59:09       -4.074611         6.417815
BFGS:    3 15:59:09       -4.627778         2.199245
BFGS:    4 15:59:09       -4.705212         0.352032
BFGS:    5 15:59:09       -4.708140         0.276243
BFGS:    6 15:59:09       -4.710077         0.328437
BFGS:    7 15:59:09       -4.712682         0.257179
BFGS:    8 15:59:09       -4.713772         0.100112
BFGS:    9 15:59:09       -4.713923         0.018840
BFGS:   10 15:59:09       -4.713930         0.002513
BFGS:   11 15:59:09       -4.713930         0.000260
BFGS:   12 15:59:09       -4.713930         0.000021
BFGS:   13 15:59:09       -4.713930         0.000000
BFGS:   14 15:59:09       -4.713930         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.981611905412038e-32 eV/Angstrom
Maximum stress component: 1.936169290173064e-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([[2.95348678282181, 2.938211328699727e-17, 9.046302803980508e-36], [-1.476743391410905, 2.557794583665261, 9.097849206218152e-36], [-7.682309650692955e-35, -4.475972847412374e-35, 4.823023720924753]])
forces =  [[-7.58427818e-34 -9.19544860e-33 -5.12914462e-68]
 [ 1.51685564e-33  7.88181309e-33  1.98161191e-32]]
stress =  [-1.93616929e-10 -1.93616929e-10 -4.40677839e-11  3.33053609e-34
  5.76865772e-34 -5.25443146e-27]
energy per atom =  -2.3569652452508287
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0