element(s):
['Si']
AFLOW prototype label:
A_hP1_191_a
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:
['2.6513', '0.93471127']
model name:
ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:56:54       -3.979832         6.946497
BFGS:    1 17:56:54       -4.408356         0.620983
BFGS:    2 17:56:54       -4.411608         0.285013
BFGS:    3 17:56:54       -4.412826         0.046196
BFGS:    4 17:56:54       -4.412868         0.017823
BFGS:    5 17:56:54       -4.412872         0.002933
BFGS:    6 17:56:54       -4.412872         0.000349
BFGS:    7 17:56:54       -4.412872         0.000008
BFGS:    8 17:56:54       -4.412872         0.000000
BFGS:    9 17:56:54       -4.412872         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1836828142463854e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7613322778234886, -1.1814920720811956e-17, 6.627878614207727e-36], [-1.3806661389117443, 2.3913839008850912, -2.0816050839559905e-36], [2.6531866811389537e-35, 8.200336961123288e-35, 2.6409687223122655]])
forces =  [[0. 0. 0.]]
stress =  [-1.75247358e-10 -1.75247358e-10 -2.18368281e-10 -2.88861719e-45
 -6.39902636e-46 -1.84243810e-26]
energy per atom =  -4.412871801723773
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0