element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
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 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:32:14      -11.937220        0.4947
BFGS:    1 15:32:14      -11.943444        0.4449
BFGS:    2 15:32:14      -11.969231        0.1114
BFGS:    3 15:32:14      -11.971637        0.1032
BFGS:    4 15:32:14      -11.972236        0.0584
BFGS:    5 15:32:14      -11.972517        0.0290
BFGS:    6 15:32:14      -11.972565        0.0338
BFGS:    7 15:32:14      -11.972703        0.0400
BFGS:    8 15:32:14      -11.972839        0.0335
BFGS:    9 15:32:14      -11.972937        0.0145
BFGS:   10 15:32:14      -11.972958        0.0035
BFGS:   11 15:32:14      -11.972960        0.0003
BFGS:   12 15:32:14      -11.972960        0.0000
BFGS:   13 15:32:14      -11.972960        0.0000
BFGS:   14 15:32:14      -11.972960        0.0000
BFGS:   15 15:32:14      -11.972960        0.0000
Minimization converged after 15 steps.
Maximum force component: 3.4561665950113833e-10 eV/Angstrom
Maximum stress component: 6.425519330097401e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.8089566231774703, 4.524677242159599e-18, 5.884334797747978e-38], [-1.9044783115887352, 3.2986531975846782, 7.954017054250825e-37], [-1.6223523496105482e-36, 3.250080322648729e-38, 6.220000119596355]])
forces =  [[-1.56496717e-31  5.42120531e-32 -3.45616660e-10]
 [ 9.01466220e-47 -1.80591943e-48 -3.45616660e-10]
 [-9.38980303e-32 -5.42120531e-32  3.45616660e-10]
 [-5.00789495e-31  1.21102926e-48  3.45616660e-10]]
stress =  [ 4.40893672e-12  4.40893672e-12  6.42551933e-12 -4.00499657e-34
  1.47398614e-47 -2.03219021e-27]
energy per atom =  -2.9932399999428925
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0