element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:15:00      -16.609981        0.7881
BFGS:    1 17:15:00      -16.625938        0.7224
BFGS:    2 17:15:00      -16.675864        0.3907
BFGS:    3 17:15:00      -16.692000        0.0111
BFGS:    4 17:15:00      -16.692019        0.0049
BFGS:    5 17:15:00      -16.692020        0.0040
BFGS:    6 17:15:00      -16.692022        0.0001
BFGS:    7 17:15:00      -16.692022        0.0000
BFGS:    8 17:15:00      -16.692022        0.0000
BFGS:    9 17:15:00      -16.692022        0.0000
Minimization converged after 9 steps.
Maximum force component: 2.415009223834633e-31 eV/Angstrom
Maximum stress component: 2.932896835337339e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 1.46936794e-39 1.59569209e-48]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 1.07992779e-38 7.50000000e-01]]
cellpar =  Cell([[4.898220627441093, 5.761524973251514e-38, -7.296195330491735e-45], [6.896758727656897e-40, 4.898220627441093, -6.120534703386334e-24], [-8.161931938023145e-40, -3.214781514506303e-24, 2.5727811897024058]])
forces =  [[ 3.01876153e-32 -6.03752306e-32  7.54414148e-56]
 [ 6.03752306e-32  6.03752306e-32 -1.98199853e-33]
 [-6.03752306e-32  1.20750461e-31 -3.96399707e-33]
 [-3.01876153e-32  2.41500922e-31 -3.01765659e-55]]
stress =  [-2.10530908e-11 -2.10530908e-11 -2.93289684e-11 -5.21488709e-29
 -2.44522751e-34 -7.62719232e-67]
energy per atom =  -4.17300541242855
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0