element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
ThreeBodyBondOrder_PPM_PurjaPunMishin_2017_Si__MO_566683736730_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.10135586 0.10135586 0.10135586]]
spacegroup =  206
cell =  [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:40:03      -70.838185         0.201167
BFGS:    1 16:40:03      -70.839976         0.193335
BFGS:    2 16:40:03      -70.856381         0.116854
BFGS:    3 16:40:03      -70.859757         0.109711
BFGS:    4 16:40:03      -70.866805         0.026000
BFGS:    5 16:40:03      -70.867046         0.004597
BFGS:    6 16:40:04      -70.867057         0.000095
BFGS:    7 16:40:04      -70.867057         0.000002
BFGS:    8 16:40:04      -70.867057         0.000000
BFGS:    9 16:40:05      -70.867057         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.7137213796112593e-10 eV/Angstrom
Maximum stress component: 1.1460825824689635e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.10161599 0.10161599 0.10161599]
 [0.39838401 0.89838401 0.60161599]
 [0.89838401 0.60161599 0.39838401]
 [0.60161599 0.39838401 0.89838401]
 [0.60161599 0.60161599 0.60161599]
 [0.89838401 0.39838401 0.10161599]
 [0.39838401 0.10161599 0.89838401]
 [0.10161599 0.89838401 0.39838401]
 [0.89838401 0.89838401 0.89838401]
 [0.60161599 0.10161599 0.39838401]
 [0.10161599 0.39838401 0.60161599]
 [0.39838401 0.60161599 0.10161599]
 [0.39838401 0.39838401 0.39838401]
 [0.10161599 0.60161599 0.89838401]
 [0.60161599 0.89838401 0.10161599]
 [0.89838401 0.10161599 0.60161599]]
cellpar =  Cell([[6.61688188482224, -3.2900590873079442e-37, 0.0], [5.837033134087813e-37, 6.61688188482224, 0.0], [0.0, 0.0, 6.61688188482224]])
forces =  [[-1.71372138e-10 -1.71372138e-10 -1.71372138e-10]
 [ 1.71372138e-10  1.71372138e-10 -1.71372138e-10]
 [ 1.71372138e-10 -1.71372138e-10  1.71372138e-10]
 [-1.71372138e-10  1.71372138e-10  1.71372138e-10]
 [-1.71372138e-10 -1.71372138e-10 -1.71372138e-10]
 [ 1.71372138e-10  1.71372138e-10 -1.71372138e-10]
 [ 1.71372138e-10 -1.71372138e-10  1.71372138e-10]
 [-1.71372138e-10  1.71372138e-10  1.71372138e-10]
 [ 1.71372138e-10  1.71372138e-10  1.71372138e-10]
 [-1.71372138e-10 -1.71372138e-10  1.71372138e-10]
 [-1.71372138e-10  1.71372138e-10 -1.71372138e-10]
 [ 1.71372138e-10 -1.71372138e-10 -1.71372138e-10]
 [ 1.71372138e-10  1.71372138e-10  1.71372138e-10]
 [-1.71372138e-10 -1.71372138e-10  1.71372138e-10]
 [-1.71372138e-10  1.71372138e-10 -1.71372138e-10]
 [ 1.71372138e-10 -1.71372138e-10 -1.71372138e-10]]
stress =  [1.14608258e-11 1.14608258e-11 1.14608258e-11 0.00000000e+00
 0.00000000e+00 5.04197507e-64]
energy per atom =  -4.429191088144851
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0