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 17:21:29      -36.424045        0.4794
BFGS:    1 17:21:29      -36.439725        0.4149
BFGS:    2 17:21:29      -36.453222        0.2981
BFGS:    3 17:21:29      -36.459262        0.2562
BFGS:    4 17:21:29      -36.484455        0.3050
BFGS:    5 17:21:29      -36.506481        0.3293
BFGS:    6 17:21:29      -36.526383        0.3133
BFGS:    7 17:21:29      -36.543344        0.4336
BFGS:    8 17:21:29      -36.557051        0.5553
BFGS:    9 17:21:29      -36.569306        0.6369
BFGS:   10 17:21:29      -36.581493        0.6635
BFGS:   11 17:21:29      -36.594270        0.6587
BFGS:   12 17:21:29      -36.607293        0.6347
BFGS:   13 17:21:29      -36.620153        0.5976
BFGS:   14 17:21:29      -36.632490        0.5511
BFGS:   15 17:21:29      -36.644009        0.4974
BFGS:   16 17:21:29      -36.654477        0.4378
BFGS:   17 17:21:29      -36.663704        0.3732
BFGS:   18 17:21:29      -36.671521        0.3037
BFGS:   19 17:21:29      -36.677767        0.2291
BFGS:   20 17:21:29      -36.682252        0.1486
BFGS:   21 17:21:29      -36.684708        0.0587
BFGS:   22 17:21:29      -36.685091        0.0241
BFGS:   23 17:21:29      -36.685239        0.0177
BFGS:   24 17:21:29      -36.685440        0.0074
BFGS:   25 17:21:29      -36.685463        0.0035
BFGS:   26 17:21:29      -36.685466        0.0002
BFGS:   27 17:21:29      -36.685466        0.0000
BFGS:   28 17:21:29      -36.685466        0.0000
BFGS:   29 17:21:29      -36.685466        0.0000
BFGS:   30 17:21:29      -36.685466        0.0000
BFGS:   31 17:21:29      -36.685466        0.0000
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