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 15:47:10      -41.286919         2.829563
BFGS:    1 15:47:10      -41.606625         2.447410
BFGS:    2 15:47:10      -41.940422         2.009632
BFGS:    3 15:47:10      -42.211430         1.610143
BFGS:    4 15:47:10      -42.425340         1.248135
BFGS:    5 15:47:10      -42.587680         0.922296
BFGS:    6 15:47:10      -42.703745         0.630779
BFGS:    7 15:47:10      -42.778512         0.371205
BFGS:    8 15:47:10      -42.816561         0.140694
BFGS:    9 15:47:10      -42.823521         0.012877
BFGS:   10 15:47:10      -42.823582         0.000501
BFGS:   11 15:47:10      -42.823582         0.000002
BFGS:   12 15:47:10      -42.823582         0.000000
Minimization converged after 12 steps.
Maximum force component: 9.362509283374886e-30 eV/Angstrom
Maximum stress component: 9.92673246640549e-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 8.29118177e-35 5.00000000e-01]
 [7.50000000e-01 7.40678905e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 6.90931814e-35]
 [5.00000000e-01 7.50000000e-01 1.10549090e-34]
 [2.40572385e-36 5.00000000e-01 2.50000000e-01]
 [9.52272617e-37 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [8.02324364e-36 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 1.65823635e-34]
 [7.50000000e-01 5.00000000e-01 2.76372726e-35]
 [5.00000000e-01 3.53757089e-33 7.50000000e-01]
 [5.00000000e-01 3.70339453e-33 2.50000000e-01]]
cellpar =  Cell([[6.96859626434498, 3.8106153991549464e-32, -6.987506630456425e-33], [-8.174621130621885e-33, 6.96859626434498, 3.400895591165662e-18], [-4.3329029988165216e-32, 3.4008955911655922e-18, 6.96859626434498]])
forces =  [[-1.35999753e-30 -6.98654577e-51 -1.43157634e-32]
 [-7.44419698e-31  1.43157634e-32  7.15788172e-33]
 [ 1.43157634e-32 -6.75704034e-30 -3.29764960e-48]
 [ 7.15788172e-33  9.36250928e-30  1.78947043e-32]
 [ 3.57894086e-33 -1.43157634e-32  7.04335561e-30]
 [ 7.15788172e-33  7.15788172e-33 -6.75704034e-30]
 [ 5.53170863e-63 -4.86735957e-30  2.86315269e-32]
 [-1.07368226e-32  3.03494185e-30  1.48114770e-48]
 [ 1.37431329e-30  2.86315269e-32  1.78947043e-32]
 [ 8.90119214e-65 -6.98654577e-51 -1.43157634e-32]
 [ 2.74324651e-62 -1.43157634e-32 -4.40925514e-30]
 [-1.54158557e-62  1.43157634e-32  2.47662707e-30]]
stress =  [-9.92673247e-12 -9.92673247e-12 -9.92673247e-12  2.14610979e-29
  2.11518621e-35  1.64557171e-51]
energy per atom =  -3.5686318610286567
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0