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 17:32:55      -36.041363         0.354372
BFGS:    1 17:32:55      -36.054226         0.312958
BFGS:    2 17:32:56      -36.063638         0.323935
BFGS:    3 17:32:56      -36.069297         0.303643
BFGS:    4 17:32:56      -36.088043         0.251934
BFGS:    5 17:32:56      -36.099201         0.223133
BFGS:    6 17:32:56      -36.103140         0.167274
BFGS:    7 17:32:56      -36.103865         0.135941
BFGS:    8 17:32:56      -36.104465         0.105082
BFGS:    9 17:32:56      -36.105393         0.064652
BFGS:   10 17:32:56      -36.106323         0.055372
BFGS:   11 17:32:56      -36.106730         0.022768
BFGS:   12 17:32:56      -36.106794         0.004301
BFGS:   13 17:32:56      -36.106797         0.000538
BFGS:   14 17:32:56      -36.106797         0.000025
BFGS:   15 17:32:56      -36.106797         0.000001
BFGS:   16 17:32:56      -36.106797         0.000000
BFGS:   17 17:32:56      -36.106797         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.513487335458309e-09 eV/Angstrom
Maximum stress component: 8.057124956487964e-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, -7.813955713185484e-36, 3.2185115222171724e-35], [-1.3074760055153896e-36, 6.57850195989051, 1.7857160649331167e-18], [1.830030146240153e-33, 1.0396479984815898e-18, 3.907801655141006]])
forces =  [[-1.51348734e-09 -1.51348734e-09 -4.10856013e-28]
 [ 1.51348734e-09  1.51348734e-09  4.10831929e-28]
 [ 1.51348734e-09 -1.51348734e-09 -4.10849992e-28]
 [-1.51348734e-09  1.51348734e-09  4.10880096e-28]
 [-1.51348734e-09 -1.51348734e-09 -4.10831929e-28]
 [ 1.51348734e-09  1.51348734e-09  4.10831929e-28]
 [ 1.51348734e-09 -1.51348734e-09 -4.10831929e-28]
 [-1.51348734e-09  1.51348734e-09  4.10892138e-28]]
stress =  [-8.05712496e-11 -8.05712496e-11  2.78479786e-11  1.28082143e-26
 -4.79469448e-34 -1.00103541e-50]
energy per atom =  -4.51334961713576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0