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 16:57:23       -4.196393         3.241384
BFGS:    1 16:57:23       -4.265437         0.573309
BFGS:    2 16:57:23       -4.269601         0.121738
BFGS:    3 16:57:23       -4.269681         0.010005
BFGS:    4 16:57:23       -4.269683         0.000620
BFGS:    5 16:57:23       -4.269683         0.000008
BFGS:    6 16:57:23       -4.269683         0.000000
BFGS:    7 16:57:23       -4.269683         0.000000
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, -7.946838983828366e-19, -5.8874035453543916e-36], [-1.3266552562844747, 2.2978343080130195, -1.2351508695324195e-35], [-7.849235644687628e-37, 2.716554878431101e-35, 2.587105370332708]])
forces =  [[0. 0. 0.]]
stress =  [ 6.78459032e-12  6.78459032e-12 -9.05991460e-11  3.77967492e-35
 -9.35226999e-36 -1.82783839e-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