element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
SW_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:32:37      -41.286919         2.829563
BFGS:    1 15:32:37      -41.606625         2.447410
BFGS:    2 15:32:37      -41.940422         2.009632
BFGS:    3 15:32:37      -42.211430         1.610143
BFGS:    4 15:32:37      -42.425340         1.248135
BFGS:    5 15:32:37      -42.587680         0.922296
BFGS:    6 15:32:37      -42.703745         0.630779
BFGS:    7 15:32:37      -42.778512         0.371205
BFGS:    8 15:32:37      -42.816561         0.140694
BFGS:    9 15:32:37      -42.823521         0.012877
BFGS:   10 15:32:37      -42.823582         0.000501
BFGS:   11 15:32:37      -42.823582         0.000002
BFGS:   12 15:32:37      -42.823582         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.605154974615305e-30 eV/Angstrom
Maximum stress component: 9.92607478360036e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 2.21098181e-34 5.00000000e-01]
 [7.50000000e-01 7.51733814e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 1.10549090e-34]
 [5.00000000e-01 7.50000000e-01 3.31647271e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [2.07548221e-38 5.00000000e-01 7.50000000e-01]
 [6.43613769e-39 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 2.21098181e-34]
 [7.50000000e-01 5.00000000e-01 4.42196361e-34]
 [5.00000000e-01 4.42196361e-33 7.50000000e-01]
 [5.00000000e-01 3.64811998e-33 2.50000000e-01]]
cellpar =  Cell([[6.968596264344982, 6.672868738878301e-32, -3.773384350393103e-32], [1.0312069995825343e-31, 6.968596264344982, -8.439797298039494e-18], [7.026325461547936e-33, -8.439797298039636e-18, 6.968596264344982]])
forces =  [[ 1.21683989e-31  1.07368226e-32  1.43157634e-32]
 [-1.14526107e-31 -1.07368226e-32  1.30035667e-50]
 [ 1.43157634e-32  8.87577333e-31  1.16315578e-32]
 [-1.99178778e-62 -1.34550440e-30 -7.15788172e-33]
 [ 1.07368226e-32 -1.14431387e-48  9.44840386e-31]
 [-1.07368226e-32  2.42733245e-49 -2.00420688e-31]
 [-8.94735214e-34  1.40294482e-30 -1.43157634e-32]
 [ 7.15788172e-33 -1.60515497e-30  1.43157634e-32]
 [-4.72420193e-31 -1.43157634e-32  1.73380889e-50]
 [ 9.87787677e-31  1.43157634e-32  7.15788172e-33]
 [ 1.43157634e-32 -1.59510418e-48  1.31705024e-30]
 [-1.43157634e-32  1.16165196e-48 -9.59156150e-31]]
stress =  [-9.92607478e-12 -9.92607478e-12 -9.92607478e-12 -1.05105264e-28
 -2.67276471e-51  5.51818966e-59]
energy per atom =  -3.5686318610286603
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0