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 14:38:54      -11.937220         0.494666
BFGS:    1 14:38:54      -11.943444         0.444866
BFGS:    2 14:38:54      -11.969231         0.111403
BFGS:    3 14:38:54      -11.971637         0.103225
BFGS:    4 14:38:54      -11.972236         0.058412
BFGS:    5 14:38:54      -11.972517         0.029008
BFGS:    6 14:38:54      -11.972565         0.033841
BFGS:    7 14:38:54      -11.972703         0.040005
BFGS:    8 14:38:54      -11.972839         0.033489
BFGS:    9 14:38:54      -11.972937         0.014527
BFGS:   10 14:38:54      -11.972958         0.003506
BFGS:   11 14:38:54      -11.972960         0.000267
BFGS:   12 14:38:54      -11.972960         0.000033
BFGS:   13 14:38:54      -11.972960         0.000002
BFGS:   14 14:38:54      -11.972960         0.000000
BFGS:   15 14:38:54      -11.972960         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.4563130592162266e-10 eV/Angstrom
Maximum stress component: 6.42565694347403e-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([[3.8089566231774716, 5.254582635967928e-18, 1.2054879846679514e-37], [-1.9044783115887358, 3.29865319758468, -1.4377837191794357e-37], [5.814045034754493e-36, 1.5415045510868917e-36, 6.220000119596356]])
forces =  [[-4.38190808e-31  3.25272318e-31 -3.45631306e-10]
 [ 3.75592121e-31 -2.16848212e-31 -3.45631306e-10]
 [ 3.12993434e-31 -1.08424106e-31  3.45631306e-10]
 [-6.25986869e-31  2.16848212e-31  3.45631306e-10]]
stress =  [ 4.40974272e-12  4.40974272e-12  6.42565694e-12  1.20149897e-33
 -4.38304358e-47 -3.87256111e-28]
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