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_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005
==== 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 16:24:09      -17.331788         0.435623
BFGS:    1 16:24:09      -17.334931         0.376205
BFGS:    2 16:24:09      -17.344374         0.116109
BFGS:    3 16:24:09      -17.344979         0.060954
BFGS:    4 16:24:09      -17.345263         0.043700
BFGS:    5 16:24:09      -17.345341         0.040376
BFGS:    6 16:24:09      -17.345553         0.023299
BFGS:    7 16:24:09      -17.345594         0.010864
BFGS:    8 16:24:09      -17.345600         0.001347
BFGS:    9 16:24:09      -17.345600         0.000068
BFGS:   10 16:24:09      -17.345600         0.000004
BFGS:   11 16:24:09      -17.345600         0.000000
BFGS:   12 16:24:09      -17.345600         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.3749112028811136e-09 eV/Angstrom
Maximum stress component: 6.62350581894906e-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([[3.840261416552362, 5.669402997398953e-18, -2.8356699662392766e-37], [-1.920130708276181, 3.32576394390756, 2.2946417509062278e-36], [-1.1052070052677952e-36, 6.137764745310594e-36, 6.271120633188876]])
forces =  [[ 2.62314107e-31 -2.35710932e-31 -1.37491120e-09]
 [-5.04905350e-31  4.37260859e-31 -1.37491120e-09]
 [-3.86568158e-31  2.32294831e-31  1.37491120e-09]
 [ 3.78679012e-31 -2.18630430e-31  1.37491120e-09]]
stress =  [-5.83036012e-13 -5.83036012e-13  6.62350582e-12  7.19779659e-47
  2.66078148e-47  2.88050602e-29]
energy per atom =  -4.336399999917268
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0