element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
ThreeBodyBondOrder_PPM_PurjaPunMishin_2017_Si__MO_566683736730_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:30:59      -37.022911        0.2282
BFGS:    1 17:30:59      -37.025072        0.2136
BFGS:    2 17:30:59      -37.039981        0.0076
BFGS:    3 17:30:59      -37.039999        0.0002
BFGS:    4 17:30:59      -37.039999        0.0000
BFGS:    5 17:30:59      -37.039999        0.0000
Minimization converged after 5 steps.
Maximum force component: 1.3917992713887884e-31 eV/Angstrom
Maximum stress component: 4.356917093408531e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.47400788e-33 1.15535143e-33 2.03512367e-32]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.13113566e-32]
 [5.00000000e-01 4.99775682e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.433560138754187, 1.890762407822259e-33, -2.5037318108953397e-33], [-1.5126164033832097e-33, 5.433560138754187, -5.034058711228019e-19], [-4.135321770216779e-34, -5.034058711228044e-19, 5.433560138754187]])
forces =  [[-2.51151748e-32 -1.39179927e-31 -3.62774747e-32]
 [ 2.33710655e-32  6.41832245e-32 -3.24404341e-32]
 [-2.23245998e-32 -5.58114996e-32 -2.79057498e-32]
 [ 3.06963248e-32 -1.95340249e-32 -9.76701243e-33]
 [-2.79057498e-33  5.58114996e-33  6.62761558e-33]
 [ 5.58114996e-33 -5.58114996e-33  8.37172494e-33]
 [ 5.58114996e-33  5.02303496e-32  1.67434499e-32]
 [-5.58114996e-33 -5.58114996e-33  1.67434499e-32]]
stress =  [-4.35691709e-13 -4.35691709e-13 -4.35691709e-13 -1.62646971e-30
 -3.47912680e-35 -1.33570293e-53]
energy per atom =  -4.6299999275574475
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0