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:
ThreeBodyBondOrder_WR_WangRockett_1991_Si__MO_081872846741_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 14:41:51       -4.196393        3.2414
BFGS:    1 14:41:51       -4.265437        0.5733
BFGS:    2 14:41:51       -4.269601        0.1217
BFGS:    3 14:41:51       -4.269681        0.0100
BFGS:    4 14:41:51       -4.269683        0.0006
BFGS:    5 14:41:51       -4.269683        0.0000
BFGS:    6 14:41:51       -4.269683        0.0000
BFGS:    7 14:41:51       -4.269683        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.059914600817841e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.6533105125689493, -8.064760769567107e-19, 1.8885420996468093e-38], [-1.3266552562844747, 2.2978343080130195, -2.471093798041524e-35], [4.907207775457342e-37, 6.031539805403067e-35, 2.587105370332708]])
forces =  [[0. 0. 0.]]
stress =  [ 6.78459032e-12  6.78459032e-12 -9.05991460e-11 -2.92204224e-45
 -6.20693812e-46 -1.61030280e-27]
energy per atom =  -4.269682647705938
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0