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 10:53:09       -7.439068         8.476484
BFGS:    1 10:53:09       -8.330018         4.116128
BFGS:    2 10:53:09       -8.662871         1.095187
BFGS:    3 10:53:10       -8.691242         0.246059
BFGS:    4 10:53:10       -8.692679         0.112315
BFGS:    5 10:53:10       -8.693028         0.140518
BFGS:    6 10:53:10       -8.694295         0.179603
BFGS:    7 10:53:10       -8.695427         0.143232
BFGS:    8 10:53:10       -8.696030         0.050825
BFGS:    9 10:53:10       -8.696095         0.012905
BFGS:   10 10:53:10       -8.696102         0.001622
BFGS:   11 10:53:10       -8.696102         0.000219
BFGS:   12 10:53:10       -8.696102         0.000018
BFGS:   13 10:53:10       -8.696102         0.000000
BFGS:   14 10:53:10       -8.696102         0.000000
Minimization converged after 14 steps.
Maximum force component: 7.088614149077869e-32 eV/Angstrom
Maximum stress component: 1.0563115115367823e-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([[2.8754835138767616, 3.718161819613706e-18, 1.3082365536683562e-35], [-1.4377417569383808, 2.4902417711806195, 2.6474817752887296e-35], [-2.680341465644306e-35, -9.555843925049174e-35, 4.726367352315744]])
forces =  [[-2.36287138e-32  2.04630664e-32  1.63800681e-67]
 [ 7.08861415e-32 -6.13891993e-32 -4.91402042e-67]]
stress =  [-1.05631151e-10 -1.05631151e-10 -2.08289851e-11  1.11706950e-32
  4.83705284e-33 -6.94680129e-28]
energy per atom =  -4.348051057322444
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0