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 15:38:35       -8.721542        19.866410
BFGS:    1 15:38:35      -11.408914        15.987082
BFGS:    2 15:38:35      -13.524874        12.251989
BFGS:    3 15:38:35      -15.093107         8.688915
BFGS:    4 15:38:35      -16.141666         5.328266
BFGS:    5 15:38:35      -16.703331         2.202550
BFGS:    6 15:38:35      -16.826930         0.159412
BFGS:    7 15:38:35      -16.827611         0.005963
BFGS:    8 15:38:35      -16.827612         0.000018
BFGS:    9 15:38:35      -16.827612         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2264135132416907e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.146581927663248, 3.182142591587744e-32, -1.3065231518010533e-34], [4.929375356031764e-33, 4.146581927663248, -1.8146339871204397e-18], [-5.899787408453775e-33, -1.8146339871204474e-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 -1.86429148e-26
 -5.26450864e-34 -5.49617443e-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