element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
model name:
SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:30:06       -8.721542        19.866410
BFGS:    1 15:30:06      -11.408914        15.987082
BFGS:    2 15:30:06      -13.524874        12.251989
BFGS:    3 15:30:06      -15.093107         8.688915
BFGS:    4 15:30:06      -16.141666         5.328266
BFGS:    5 15:30:06      -16.703331         2.202550
BFGS:    6 15:30:06      -16.826930         0.159412
BFGS:    7 15:30:06      -16.827611         0.005963
BFGS:    8 15:30:06      -16.827612         0.000018
BFGS:    9 15:30:06      -16.827612         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.226413513241691e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['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 5.57354461e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.78677230e-34]]
cellpar =  Cell([[4.146581927663248, 9.782307619372313e-33, -3.7492640501767235e-33], [-8.198681403511085e-33, 4.146581927663248, 5.9114932690836896e-18], [2.868248747381995e-32, 5.911493269083662e-18, 4.146581927663248]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.22641351e-10 -1.22641351e-10 -1.22641351e-10  3.46991556e-27
 -4.06972653e-34  5.30890035e-50]
energy per atom =  -4.206903092120954
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0