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_1988T3_Si__MO_186459956893_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 16:34:01      -35.955715         0.452673
BFGS:    1 16:34:01      -35.974098         0.235827
BFGS:    2 16:34:01      -35.982546         0.191307
BFGS:    3 16:34:01      -35.983746         0.185583
BFGS:    4 16:34:01      -35.992293         0.139016
BFGS:    5 16:34:01      -35.995133         0.142155
BFGS:    6 16:34:01      -35.996093         0.117282
BFGS:    7 16:34:01      -35.996366         0.100327
BFGS:    8 16:34:01      -35.996936         0.063580
BFGS:    9 16:34:01      -35.997606         0.053135
BFGS:   10 16:34:01      -35.998112         0.033690
BFGS:   11 16:34:01      -35.998244         0.009324
BFGS:   12 16:34:01      -35.998257         0.001553
BFGS:   13 16:34:01      -35.998257         0.000096
BFGS:   14 16:34:01      -35.998257         0.000005
BFGS:   15 16:34:01      -35.998257         0.000000
BFGS:   16 16:34:01      -35.998257         0.000000
Minimization converged after 16 steps.
Maximum force component: 9.034815470196629e-10 eV/Angstrom
Maximum stress component: 1.5821525477616162e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.8191065 0.8191065 0.       ]
 [0.1808935 0.1808935 0.       ]
 [0.1808935 0.8191065 0.       ]
 [0.8191065 0.1808935 0.       ]
 [0.3191065 0.3191065 0.5      ]
 [0.6808935 0.6808935 0.5      ]
 [0.6808935 0.3191065 0.5      ]
 [0.3191065 0.6808935 0.5      ]]
cellpar =  Cell([[6.620246426254024, 2.993924417821962e-36, 1.3173078963202273e-35], [1.5068487153008028e-36, 6.620246426254025, -1.927059370054745e-18], [7.447882575094592e-33, -1.1236066022653024e-18, 3.885751431735478]])
forces =  [[ 9.03481547e-10  9.03481547e-10 -2.62942705e-28]
 [-9.03481547e-10 -9.03481547e-10  2.62864874e-28]
 [-9.03481547e-10  9.03481547e-10 -2.62942705e-28]
 [ 9.03481547e-10 -9.03481547e-10  2.62939711e-28]
 [ 9.03481547e-10  9.03481547e-10 -2.62918757e-28]
 [-9.03481547e-10 -9.03481547e-10  2.62918757e-28]
 [-9.03481547e-10  9.03481547e-10 -2.62906783e-28]
 [ 9.03481547e-10 -9.03481547e-10  2.62954678e-28]]
stress =  [ 1.58215255e-10  1.58215255e-10 -5.66029025e-11  1.67196114e-26
  1.91659910e-33 -3.23794881e-49]
energy per atom =  -4.499782104358607
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0