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 09:48:35      -36.424045         0.479426
BFGS:    1 09:48:35      -36.439725         0.414903
BFGS:    2 09:48:35      -36.453222         0.298117
BFGS:    3 09:48:35      -36.459262         0.256244
BFGS:    4 09:48:35      -36.484455         0.305044
BFGS:    5 09:48:35      -36.506481         0.329300
BFGS:    6 09:48:35      -36.526383         0.313280
BFGS:    7 09:48:35      -36.543344         0.433631
BFGS:    8 09:48:35      -36.557051         0.555310
BFGS:    9 09:48:35      -36.569306         0.636891
BFGS:   10 09:48:35      -36.581493         0.663547
BFGS:   11 09:48:35      -36.594270         0.658749
BFGS:   12 09:48:35      -36.607293         0.634684
BFGS:   13 09:48:36      -36.620153         0.597598
BFGS:   14 09:48:36      -36.632490         0.551095
BFGS:   15 09:48:36      -36.644009         0.497387
BFGS:   16 09:48:36      -36.654477         0.437823
BFGS:   17 09:48:36      -36.663704         0.373156
BFGS:   18 09:48:36      -36.671521         0.303664
BFGS:   19 09:48:36      -36.677767         0.229136
BFGS:   20 09:48:36      -36.682252         0.148577
BFGS:   21 09:48:36      -36.684708         0.058663
BFGS:   22 09:48:36      -36.685091         0.024127
BFGS:   23 09:48:36      -36.685239         0.017672
BFGS:   24 09:48:36      -36.685440         0.007409
BFGS:   25 09:48:36      -36.685463         0.003504
BFGS:   26 09:48:36      -36.685466         0.000214
BFGS:   27 09:48:36      -36.685466         0.000039
BFGS:   28 09:48:36      -36.685466         0.000011
BFGS:   29 09:48:36      -36.685466         0.000001
BFGS:   30 09:48:36      -36.685466         0.000000
BFGS:   31 09:48:36      -36.685466         0.000000
Minimization converged after 31 steps.
Maximum force component: 4.6032905053972414e-10 eV/Angstrom
Maximum stress component: 2.785304381190821e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81048867 0.81048867 0.        ]
 [0.18951133 0.18951133 0.        ]
 [0.18951133 0.81048867 0.        ]
 [0.81048867 0.18951133 0.        ]
 [0.31048867 0.31048867 0.5       ]
 [0.68951133 0.68951133 0.5       ]
 [0.68951133 0.31048867 0.5       ]
 [0.31048867 0.68951133 0.5       ]]
cellpar =  Cell([[6.170465481022856, -7.162252109437184e-36, -2.7942327081465247e-32], [8.26406783807546e-37, 6.170465481022855, -2.0156782969252862e-17], [-4.906660904112924e-33, -1.1263827374126648e-17, 4.247599101323003]])
forces =  [[-4.60329051e-10 -4.60329051e-10  1.50373627e-27]
 [ 4.60329051e-10  4.60329051e-10 -1.50369701e-27]
 [ 4.60329051e-10 -4.60329051e-10  1.50369701e-27]
 [-4.60329051e-10  4.60329051e-10 -1.50371010e-27]
 [-4.60329051e-10 -4.60329051e-10  1.50373627e-27]
 [ 4.60329051e-10  4.60329051e-10 -1.50371010e-27]
 [ 4.60329051e-10 -4.60329051e-10  1.50368392e-27]
 [-4.60329051e-10  4.60329051e-10 -1.50371010e-27]]
stress =  [-2.78530438e-11 -2.78530438e-11  1.17430937e-11  8.95279805e-28
 -3.52712033e-34 -5.13617635e-50]
energy per atom =  -4.5856832125658045
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0