element(s):
['Si']
AFLOW prototype label:
A_tI4_141_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:
['4.8146', '0.54949529']
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 =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:15:00      -15.798941        3.7994
BFGS:    1 17:15:00      -16.239496        3.4766
BFGS:    2 17:15:00      -16.646307        3.1435
BFGS:    3 17:15:00      -16.997392        2.6250
BFGS:    4 17:15:00      -17.266212        1.9452
BFGS:    5 17:15:00      -17.438175        1.1696
BFGS:    6 17:15:00      -17.513796        0.4379
BFGS:    7 17:15:00      -17.524494        0.5858
BFGS:    8 17:15:00      -17.532516        0.5423
BFGS:    9 17:15:00      -17.541957        0.2355
BFGS:   10 17:15:00      -17.544147        0.0742
BFGS:   11 17:15:00      -17.544546        0.0009
BFGS:   12 17:15:00      -17.544546        0.0000
BFGS:   13 17:15:00      -17.544546        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.1594166601768545e-30 eV/Angstrom
Maximum stress component: 5.87571812495655e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[9.23732740e-34 3.09916735e-33 2.31111594e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[5.225725245112175, 1.4289536016295703e-36, -2.5482651575983197e-39], [-4.038667933196485e-37, 5.225725245112173, 1.0625184483953101e-18], [4.0287976541719033e-38, 5.4880083835898865e-19, 2.7211320167994644]])
forces =  [[ 8.05150458e-32  1.28824073e-31 -2.93479739e-32]
 [-3.54266202e-31  7.08532403e-31 -1.67702708e-32]
 [ 1.61030092e-31  2.57648147e-31  8.38513541e-33]
 [ 2.57648147e-31 -1.15941666e-30  8.38513541e-33]]
stress =  [-1.86122135e-11 -1.86122135e-11 -5.87571812e-11 -5.62280361e-28
 -4.33405362e-34 -3.72803829e-51]
energy per atom =  -4.386136575550349
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0