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_Tersoff_1988T3_Si__MO_186459956893_004
==== 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 09:48:38      -35.955715         0.452673
BFGS:    1 09:48:38      -35.974098         0.235827
BFGS:    2 09:48:38      -35.982546         0.191307
BFGS:    3 09:48:38      -35.983746         0.185583
BFGS:    4 09:48:38      -35.992293         0.139016
BFGS:    5 09:48:38      -35.995133         0.142155
BFGS:    6 09:48:38      -35.996093         0.117282
BFGS:    7 09:48:38      -35.996366         0.100327
BFGS:    8 09:48:38      -35.996936         0.063580
BFGS:    9 09:48:38      -35.997606         0.053135
BFGS:   10 09:48:38      -35.998112         0.033690
BFGS:   11 09:48:38      -35.998244         0.009324
BFGS:   12 09:48:38      -35.998257         0.001553
BFGS:   13 09:48:38      -35.998257         0.000096
BFGS:   14 09:48:38      -35.998257         0.000005
BFGS:   15 09:48:38      -35.998257         0.000000
BFGS:   16 09:48:38      -35.998257         0.000000
Minimization converged after 16 steps.
Maximum force component: 9.03474585994482e-10 eV/Angstrom
Maximum stress component: 1.582152859773242e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.19106503e-01 8.19106503e-01 1.98255599e-34]
 [1.80893497e-01 1.80893497e-01 0.00000000e+00]
 [1.80893497e-01 8.19106503e-01 1.98255599e-34]
 [8.19106503e-01 1.80893497e-01 0.00000000e+00]
 [3.19106503e-01 3.19106503e-01 5.00000000e-01]
 [6.80893497e-01 6.80893497e-01 5.00000000e-01]
 [6.80893497e-01 3.19106503e-01 5.00000000e-01]
 [3.19106503e-01 6.80893497e-01 5.00000000e-01]]
cellpar =  Cell([[6.620246426254021, 3.6547107391909815e-37, 4.916353776154068e-35], [2.047769459898018e-36, 6.620246426254027, -8.071160565629053e-18], [1.4892920137530335e-32, -4.661448366602219e-18, 3.885751431735479]])
forces =  [[ 9.03474586e-10  9.03474586e-10 -1.10157872e-27]
 [-9.03474586e-10 -9.03474586e-10  1.10148293e-27]
 [-9.03474586e-10  9.03474586e-10 -1.10148293e-27]
 [ 9.03474586e-10 -9.03474586e-10  1.10150089e-27]
 [ 9.03474586e-10  9.03474586e-10 -1.10157872e-27]
 [-9.03474586e-10 -9.03474586e-10  1.10148293e-27]
 [-9.03474586e-10  9.03474586e-10 -1.10148144e-27]
 [ 9.03474586e-10 -9.03474586e-10  1.10148293e-27]]
stress =  [ 1.58215286e-10  1.58215286e-10 -5.66023602e-11 -4.13837209e-27
 -9.58299550e-34 -3.70032122e-50]
energy per atom =  -4.499782104358608
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0