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:
Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000
==== 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 17:20:35      -36.041363        0.3544
BFGS:    1 17:20:35      -36.054226        0.3130
BFGS:    2 17:20:35      -36.063638        0.3239
BFGS:    3 17:20:35      -36.069297        0.3036
BFGS:    4 17:20:35      -36.088043        0.2519
BFGS:    5 17:20:35      -36.099201        0.2231
BFGS:    6 17:20:35      -36.103140        0.1673
BFGS:    7 17:20:35      -36.103865        0.1359
BFGS:    8 17:20:35      -36.104465        0.1051
BFGS:    9 17:20:35      -36.105393        0.0647
BFGS:   10 17:20:35      -36.106323        0.0554
BFGS:   11 17:20:35      -36.106730        0.0228
BFGS:   12 17:20:35      -36.106794        0.0043
BFGS:   13 17:20:35      -36.106797        0.0005
BFGS:   14 17:20:35      -36.106797        0.0000
BFGS:   15 17:20:35      -36.106797        0.0000
BFGS:   16 17:20:35      -36.106797        0.0000
BFGS:   17 17:20:35      -36.106797        0.0000
Minimization converged after 17 steps.
Maximum force component: 1.5134784640824519e-09 eV/Angstrom
Maximum stress component: 8.057083860634802e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.819284 0.819284 0.      ]
 [0.180716 0.180716 0.      ]
 [0.180716 0.819284 0.      ]
 [0.819284 0.180716 0.      ]
 [0.319284 0.319284 0.5     ]
 [0.680716 0.680716 0.5     ]
 [0.680716 0.319284 0.5     ]
 [0.319284 0.680716 0.5     ]]
cellpar =  Cell([[6.578501959890511, 1.123007735713742e-35, 3.959915114452302e-34], [1.7377743884239334e-35, 6.578501959890512, 2.0957434278062933e-18], [1.4988143854613795e-32, 1.2455187153540456e-18, 3.907801655141006]])
forces =  [[-1.51347846e-09 -1.51347846e-09 -4.82197896e-28]
 [ 1.51347846e-09  1.51347846e-09  4.82252084e-28]
 [ 1.51347846e-09 -1.51347846e-09 -4.82282189e-28]
 [-1.51347846e-09  1.51347846e-09  4.82348419e-28]
 [-1.51347846e-09 -1.51347846e-09 -4.82155750e-28]
 [ 1.51347846e-09  1.51347846e-09  4.82312294e-28]
 [ 1.51347846e-09 -1.51347846e-09 -4.82300252e-28]
 [-1.51347846e-09  1.51347846e-09  4.82331109e-28]]
stress =  [-8.05708386e-11 -8.05708386e-11  2.78479103e-11  6.69477874e-27
 -4.79469447e-34 -1.00103541e-50]
energy per atom =  -4.513349617135761
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0