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_LeeHwang_2012GGA_Si__MO_040570764911_001
==== 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 15:47:10      -29.099734         1.269644
BFGS:    1 15:47:10      -29.166378         1.180320
BFGS:    2 15:47:10      -29.325652         0.946322
BFGS:    3 15:47:10      -29.451170         0.730217
BFGS:    4 15:47:10      -29.545600         0.531755
BFGS:    5 15:47:10      -29.611556         0.350482
BFGS:    6 15:47:10      -29.651570         0.185718
BFGS:    7 15:47:10      -29.668052         0.036553
BFGS:    8 15:47:10      -29.668763         0.002254
BFGS:    9 15:47:10      -29.668765         0.000030
BFGS:   10 15:47:10      -29.668765         0.000000
BFGS:   11 15:47:10      -29.668765         0.000000
Minimization converged after 11 steps.
Maximum force component: 6.571514973544572e-32 eV/Angstrom
Maximum stress component: 1.0093216350895312e-14 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 5.56911166e-35 5.00000000e-01]
 [7.50000000e-01 7.35122740e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [1.50390379e-36 5.00000000e-01 2.50000000e-01]
 [2.63221713e-36 5.00000000e-01 7.50000000e-01]
 [6.93051818e-36 2.50000000e-01 5.00000000e-01]
 [2.37307707e-37 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.61992258e-33 7.50000000e-01]
 [5.00000000e-01 3.61992258e-33 2.50000000e-01]]
cellpar =  Cell([[6.916470922895282, 8.9550966447765e-33, -1.803419873265394e-33], [9.231920164446612e-33, 6.916470922895282, 4.257450430196792e-18], [1.678493479753627e-33, 4.257450430196691e-18, 6.916470922895282]])
forces =  [[ 2.75293195e-32 -5.32825538e-33 -3.27982051e-51]
 [-2.75293195e-32  4.44021282e-33  2.73318376e-51]
 [ 2.17315642e-51 -1.95369364e-32 -5.16174740e-33]
 [ 3.20703029e-65  2.30891067e-32  5.15732024e-33]
 [-5.16174740e-33  4.04511196e-50  6.57151497e-32]
 [ 4.27370484e-33 -3.93578461e-50 -6.39390646e-32]
 [-6.98257344e-65 -5.32825538e-32  5.33372423e-33]
 [ 6.50857199e-65  4.97303836e-32 -5.32825538e-33]
 [ 7.10434051e-33  4.44021282e-33  2.73318376e-51]
 [-7.10434051e-33 -5.32825538e-33 -3.27982051e-51]
 [-5.32825538e-33 -5.46636751e-52 -8.88042564e-34]
 [ 4.44021282e-33  3.55313888e-50  5.77227667e-32]]
stress =  [-1.00932164e-14 -1.00932164e-14 -1.00932164e-14 -2.48966993e-32
 -2.14718815e-35 -6.29998604e-53]
energy per atom =  -2.4723971090274888
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0