element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
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:
['2.6864', '1.708383']
model name:
ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:12:06       -7.439068         8.476484
BFGS:    1 15:12:06       -8.330018         4.116128
BFGS:    2 15:12:06       -8.662871         1.095187
BFGS:    3 15:12:06       -8.691242         0.246059
BFGS:    4 15:12:06       -8.692679         0.112315
BFGS:    5 15:12:06       -8.693028         0.140518
BFGS:    6 15:12:06       -8.694295         0.179603
BFGS:    7 15:12:06       -8.695427         0.143232
BFGS:    8 15:12:06       -8.696030         0.050825
BFGS:    9 15:12:06       -8.696095         0.012905
BFGS:   10 15:12:06       -8.696102         0.001622
BFGS:   11 15:12:06       -8.696102         0.000219
BFGS:   12 15:12:06       -8.696102         0.000018
BFGS:   13 15:12:07       -8.696102         0.000000
BFGS:   14 15:12:07       -8.696102         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.1157666089393576e-33 eV/Angstrom
Maximum stress component: 1.0563830545713991e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.875483513876753, -2.2328432284914315e-18, 1.851950325689711e-36], [-1.4377417569383766, 2.490241771180612, -5.305696520452128e-36], [1.4856947095936152e-35, 8.527764321116375e-35, 4.72636735231576]])
forces =  [[ 2.95358923e-33 -5.11576661e-33  1.08996265e-68]
 [-2.95358923e-33  5.11576661e-33 -1.08996265e-68]]
stress =  [-1.05638305e-10 -1.05638305e-10 -2.08333292e-11  7.85439495e-34
  1.51157901e-34  5.35449588e-27]
energy per atom =  -4.34805105732244
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0