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_1988T2_Si__MO_245095684871_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 17:32:59      -36.424045         0.479426
BFGS:    1 17:32:59      -36.439725         0.414903
BFGS:    2 17:32:59      -36.453222         0.298117
BFGS:    3 17:32:59      -36.459262         0.256244
BFGS:    4 17:32:59      -36.484455         0.305044
BFGS:    5 17:32:59      -36.506481         0.329300
BFGS:    6 17:33:00      -36.526383         0.313280
BFGS:    7 17:33:00      -36.543344         0.433631
BFGS:    8 17:33:00      -36.557051         0.555310
BFGS:    9 17:33:00      -36.569306         0.636891
BFGS:   10 17:33:00      -36.581493         0.663547
BFGS:   11 17:33:00      -36.594270         0.658749
BFGS:   12 17:33:00      -36.607293         0.634684
BFGS:   13 17:33:00      -36.620153         0.597598
BFGS:   14 17:33:00      -36.632490         0.551095
BFGS:   15 17:33:00      -36.644009         0.497387
BFGS:   16 17:33:00      -36.654477         0.437823
BFGS:   17 17:33:00      -36.663704         0.373156
BFGS:   18 17:33:00      -36.671521         0.303664
BFGS:   19 17:33:00      -36.677767         0.229136
BFGS:   20 17:33:00      -36.682252         0.148577
BFGS:   21 17:33:00      -36.684708         0.058663
BFGS:   22 17:33:00      -36.685091         0.024127
BFGS:   23 17:33:00      -36.685239         0.017672
BFGS:   24 17:33:00      -36.685440         0.007409
BFGS:   25 17:33:00      -36.685463         0.003504
BFGS:   26 17:33:00      -36.685466         0.000214
BFGS:   27 17:33:00      -36.685466         0.000039
BFGS:   28 17:33:00      -36.685466         0.000011
BFGS:   29 17:33:01      -36.685466         0.000001
BFGS:   30 17:33:01      -36.685466         0.000000
BFGS:   31 17:33:01      -36.685466         0.000000
Minimization converged after 31 steps.
Maximum force component: 4.6034327838930855e-10 eV/Angstrom
Maximum stress component: 2.785348183669275e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.10488669e-01 8.10488669e-01 2.90186323e-33]
 [1.89511331e-01 1.89511331e-01 1.45093161e-33]
 [1.89511331e-01 8.10488669e-01 5.80372646e-33]
 [8.10488669e-01 1.89511331e-01 2.17639742e-33]
 [3.10488669e-01 3.10488669e-01 5.00000000e-01]
 [6.89511331e-01 6.89511331e-01 5.00000000e-01]
 [6.89511331e-01 3.10488669e-01 5.00000000e-01]
 [3.10488669e-01 6.89511331e-01 5.00000000e-01]]
cellpar =  Cell([[6.170465481022854, 1.46385845071537e-36, 2.3835096279118128e-32], [2.4706787886074708e-36, 6.17046548102286, -1.0235117975403921e-16], [1.0778705442140612e-32, -5.973643161400833e-17, 4.247599101323002]])
forces =  [[-4.60343278e-10 -4.60343278e-10  7.63583846e-27]
 [ 4.60343278e-10  4.60343278e-10 -7.63586464e-27]
 [ 4.60343278e-10 -4.60343278e-10  7.63586464e-27]
 [-4.60343278e-10  4.60343278e-10 -7.63583846e-27]
 [-4.60343278e-10 -4.60343278e-10  7.63583846e-27]
 [ 4.60343278e-10  4.60343278e-10 -7.63586464e-27]
 [ 4.60343278e-10 -4.60343278e-10  7.63586464e-27]
 [-4.60343278e-10  4.60343278e-10 -7.63583846e-27]]
stress =  [-2.78534818e-11 -2.78534818e-11  1.17435179e-11 -5.38073245e-27
 -2.35141355e-34  2.95063577e-50]
energy per atom =  -4.585683212565804
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0