element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:31:14      -35.948828         0.451295
BFGS:    1 16:31:14      -35.967034         0.232566
BFGS:    2 16:31:14      -35.975154         0.191589
BFGS:    3 16:31:14      -35.976352         0.185684
BFGS:    4 16:31:14      -35.985498         0.142256
BFGS:    5 16:31:14      -35.988028         0.140399
BFGS:    6 16:31:14      -35.988816         0.115153
BFGS:    7 16:31:14      -35.989088         0.098417
BFGS:    8 16:31:14      -35.989734         0.057502
BFGS:    9 16:31:14      -35.990410         0.052544
BFGS:   10 16:31:14      -35.990854         0.029270
BFGS:   11 16:31:14      -35.990949         0.006889
BFGS:   12 16:31:14      -35.990956         0.001041
BFGS:   13 16:31:14      -35.990956         0.000052
BFGS:   14 16:31:14      -35.990956         0.000003
BFGS:   15 16:31:14      -35.990956         0.000000
BFGS:   16 16:31:14      -35.990956         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.838233674952003e-10 eV/Angstrom
Maximum stress component: 1.1137397649468492e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81912311 0.81912311 0.        ]
 [0.18087689 0.18087689 0.        ]
 [0.18087689 0.81912311 0.        ]
 [0.81912311 0.18087689 0.        ]
 [0.31912311 0.31912311 0.5       ]
 [0.68087689 0.68087689 0.5       ]
 [0.68087689 0.31912311 0.5       ]
 [0.31912311 0.68087689 0.5       ]]
cellpar =  Cell([[6.620184870914254, -1.969750094161297e-36, -6.391379086171465e-33], [-1.2216296146852551e-36, 6.620184870914252, -2.3621864911981212e-18], [3.726145805336923e-33, -1.377602506486179e-18, 3.8861507583444546]])
forces =  [[ 1.83823367e-10  1.83823367e-10 -6.56868810e-29]
 [-1.83823367e-10 -1.83823367e-10  6.56389805e-29]
 [-1.83823367e-10  1.83823367e-10 -6.55910800e-29]
 [ 1.83823367e-10 -1.83823367e-10  6.56868810e-29]
 [ 1.83823367e-10  1.83823367e-10 -6.56075458e-29]
 [-1.83823367e-10 -1.83823367e-10  6.54952790e-29]
 [-1.83823367e-10  1.83823367e-10 -6.58784830e-29]
 [ 1.83823367e-10 -1.83823367e-10  6.55910800e-29]]
stress =  [ 1.11373976e-10  1.11373976e-10 -1.49553971e-11  4.34764923e-27
 -1.11729617e-43 -5.11937818e-60]
energy per atom =  -4.498869492762807
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0