element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
ThreeBodyBondOrder_PPM_PurjaPunMishin_2017_Si__MO_566683736730_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:40:51      -18.507975         0.403472
BFGS:    1 14:40:51      -18.510705         0.346941
BFGS:    2 14:40:51      -18.518109         0.137014
BFGS:    3 14:40:51      -18.518997         0.089715
BFGS:    4 14:40:51      -18.519587         0.045171
BFGS:    5 14:40:51      -18.519660         0.043122
BFGS:    6 14:40:51      -18.519967         0.017924
BFGS:    7 14:40:51      -18.519997         0.007054
BFGS:    8 14:40:51      -18.520000         0.000552
BFGS:    9 14:40:51      -18.520000         0.000024
BFGS:   10 14:40:51      -18.520000         0.000001
BFGS:   11 14:40:51      -18.520000         0.000000
BFGS:   12 14:40:51      -18.520000         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.297344974504622e-10 eV/Angstrom
Maximum stress component: 1.5323638722462935e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.842107220093534, 3.686197946421564e-18, -1.8682478864434042e-39], [-1.921053610046767, 3.3273624566646074, -2.907799260635991e-39], [3.5718023332524013e-37, 3.6474840402921e-37, 6.274134817560301]])
forces =  [[-7.38565546e-48 -7.54214761e-48 -1.29734497e-10]
 [ 2.52574015e-31 -7.29982282e-48 -1.29734497e-10]
 [ 1.26287007e-31 -2.18735513e-31  1.29734497e-10]
 [ 2.52574015e-31  7.78447239e-48  1.29734497e-10]]
stress =  [ 1.10764610e-13  1.10764610e-13  1.53236387e-12 -2.65692328e-33
  1.70441708e-34  2.67523076e-29]
energy per atom =  -4.629999927557447
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0