element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
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 =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:47:52      -12.221410         1.956513
BFGS:    1 09:47:52      -12.280269         1.184639
BFGS:    2 09:47:52      -12.310488         0.307608
BFGS:    3 09:47:52      -12.313747         0.271742
BFGS:    4 09:47:52      -12.323627         0.361874
BFGS:    5 09:47:52      -12.333542         0.325870
BFGS:    6 09:47:52      -12.340943         0.191657
BFGS:    7 09:47:52      -12.342502         0.062150
BFGS:    8 09:47:52      -12.342627         0.010023
BFGS:    9 09:47:52      -12.342634         0.000696
BFGS:   10 09:47:52      -12.342635         0.000074
BFGS:   11 09:47:52      -12.342635         0.000003
BFGS:   12 09:47:52      -12.342635         0.000000
BFGS:   13 09:47:52      -12.342635         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.6048342370013889e-31 eV/Angstrom
Maximum stress component: 5.760616961632794e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[1.83532329e-33 5.42888107e-33 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.748020380200256, 1.259566189434929e-35, -9.33387889059819e-39], [1.244048044715438e-37, 4.748020380200256, -1.550968345975502e-18], [-1.9568978618083656e-37, -8.32450359755258e-19, 2.7641112550476303]])
forces =  [[ 1.17047739e-31  1.60483424e-31 -4.25878771e-33]
 [ 2.92619348e-32  1.32593142e-31 -4.25878771e-33]
 [ 1.17047739e-31  1.38994190e-31  8.51757542e-33]
 [ 7.31548370e-32  7.31548370e-32  8.51757542e-33]]
stress =  [ 5.76061696e-12  5.76061696e-12 -2.70077655e-13  3.48490340e-30
  4.14312500e-49 -5.25139929e-65]
energy per atom =  -3.085658647395182
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0