element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
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 =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:18:07      -12.641747        1.3832
BFGS:    1 17:18:07      -12.721124        1.2938
BFGS:    2 17:18:07      -12.896491        1.0367
BFGS:    3 17:18:07      -13.029664        0.7302
BFGS:    4 17:18:07      -13.112756        0.3678
BFGS:    5 17:18:07      -13.136825        0.0581
BFGS:    6 17:18:07      -13.137376        0.0040
BFGS:    7 17:18:07      -13.137379        0.0000
BFGS:    8 17:18:07      -13.137379        0.0000
BFGS:    9 17:18:07      -13.137379        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.488409836599196e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.73726019e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.661654425243628, 5.469063056100881e-33, 5.891145148634957e-34], [5.095018089972982e-33, 3.661654425243628, 5.719476378266996e-18], [4.169097726259251e-33, 5.719476378266988e-18, 3.6616544252436283]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.48840984e-14  1.48840984e-14  1.48840984e-14 -5.09055454e-31
 -1.22575730e-33  3.04119415e-50]
energy per atom =  -3.2843446450545004
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0