element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
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 =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:29:30      -36.973568         0.251990
BFGS:    1 16:29:30      -36.976204         0.236174
BFGS:    2 16:29:31      -36.994757         0.008785
BFGS:    3 16:29:31      -36.994782         0.000294
BFGS:    4 16:29:31      -36.994782         0.000000
BFGS:    5 16:29:31      -36.994782         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.2345836201811344e-31 eV/Angstrom
Maximum stress component: 6.842319185574988e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.85185989e-34 1.60495124e-33 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.429391714353895, -1.5249643796371869e-33, -2.257574260252575e-34], [3.026282520655774e-33, 5.429391714353895, -1.6027126617511776e-20], [-5.492376322102971e-33, -1.6027126617505742e-20, 5.429391714353895]])
forces =  [[ 7.80761563e-32  2.48170640e-31 -5.57686831e-33]
 [ 8.36530247e-32  1.05960498e-31  7.24992880e-32]
 [ 8.36530247e-32 -1.22691103e-31  1.75671352e-31]
 [ 3.90380782e-32  1.03172064e-31 -5.29802490e-32]
 [-1.39421708e-32  3.23458362e-31  1.67306049e-32]
 [ 1.11537366e-31 -8.36530247e-32 -4.46149465e-32]
 [ 5.57686831e-33 -3.06727757e-32  9.75951954e-32]
 [ 6.69224197e-32  1.67306049e-31 -4.46149465e-32]]
stress =  [ 6.84231919e-13  6.84231919e-13  6.84231919e-13  1.23174576e-29
 -2.29071230e-61 -6.74031186e-62]
energy per atom =  -4.624347749990882
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0