element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:43:03      -27.648852         1.587637
BFGS:    1 15:43:03      -27.754411         1.514942
BFGS:    2 15:43:03      -27.969371         1.350132
BFGS:    3 15:43:03      -28.159129         1.178894
BFGS:    4 15:43:03      -28.322707         1.001009
BFGS:    5 15:43:03      -28.459088         0.816240
BFGS:    6 15:43:03      -28.567222         0.624334
BFGS:    7 15:43:03      -28.646017         0.425015
BFGS:    8 15:43:03      -28.694341         0.217990
BFGS:    9 15:43:03      -28.711013         0.002943
BFGS:   10 15:43:03      -28.711016         0.000057
BFGS:   11 15:43:03      -28.711016         0.000000
BFGS:   12 15:43:03      -28.711016         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.2975466095148317e-31 eV/Angstrom
Maximum stress component: 4.3282501768387725e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.03136376e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.1779760790693645, 8.871554239828485e-34, 1.8622816090627517e-34], [4.083462292900107e-34, 5.1779760790693645, -7.894629606412872e-19], [6.6090103166908456e-34, -7.8946296064128695e-19, 5.1779760790693645]])
forces =  [[ 7.97793535e-32  2.18063566e-31  1.06372471e-31]
 [-8.50979770e-32  1.06372471e-32 -9.57352241e-32]
 [ 1.06372471e-32 -3.29754661e-31 -3.19117414e-32]
 [-8.50979770e-32 -2.34019437e-31 -1.06372471e-32]
 [ 1.48921460e-31  2.12744943e-31 -3.98896767e-32]
 [ 2.65931178e-32 -6.38234828e-32  1.27646966e-31]
 [-1.75514578e-31 -1.46262148e-31  6.78124504e-32]
 [ 8.50979770e-32 -1.71525610e-31  8.50979770e-32]]
stress =  [ 4.32825018e-15  4.32825018e-15  4.32825018e-15 -6.89681553e-32
 -2.09845948e-64 -4.43552976e-65]
energy per atom =  -3.5888770310093636
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0