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_2012GGA_Si__MO_040570764911_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      -11.356443        0.1578
BFGS:    1 15:32:14      -11.356915        0.1387
BFGS:    2 15:32:14      -11.357812        0.0703
BFGS:    3 15:32:14      -11.358080        0.0601
BFGS:    4 15:32:14      -11.358966        0.0501
BFGS:    5 15:32:14      -11.359175        0.0231
BFGS:    6 15:32:14      -11.359237        0.0250
BFGS:    7 15:32:14      -11.359263        0.0230
BFGS:    8 15:32:14      -11.359315        0.0146
BFGS:    9 15:32:14      -11.359348        0.0106
BFGS:   10 15:32:14      -11.359359        0.0033
BFGS:   11 15:32:14      -11.359360        0.0003
BFGS:   12 15:32:14      -11.359360        0.0000
BFGS:   13 15:32:14      -11.359360        0.0000
BFGS:   14 15:32:14      -11.359360        0.0000
BFGS:   15 15:32:14      -11.359360        0.0000
Minimization converged after 15 steps.
Maximum force component: 9.239942535318346e-10 eV/Angstrom
Maximum stress component: 4.285696922001893e-11 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([[3.858762894517004, -9.210992953817784e-19, -3.1550958336828512e-37], [-1.929381447258502, 3.3417866938324976, -3.100809703303533e-37], [5.545961325013202e-37, -1.4208090787153936e-36, 6.30133342077302]])
forces =  [[ 5.39046482e-31 -2.74604675e-31 -9.23994254e-10]
 [-3.80503399e-31  4.39367479e-31 -9.23994254e-10]
 [-2.85377549e-31  2.74604675e-31  9.23994254e-10]
 [ 6.34172331e-31 -4.39367479e-31  9.23994254e-10]]
stress =  [-3.15009624e-12 -3.15009624e-12  4.28569692e-11 -1.95113815e-34
 -3.37947040e-34 -4.77520352e-28]
energy per atom =  -2.8398399999458186
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0