element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
model name:
Tersoff_LAMMPS_Tersoff_1988T3_Si__MO_186459956893_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:53:17       -7.612443         2.513788
BFGS:    1 10:53:17       -7.680065         2.718199
BFGS:    2 10:53:17       -7.717410         0.583910
BFGS:    3 10:53:17       -7.732627         0.357759
BFGS:    4 10:53:17       -7.737535         0.053948
BFGS:    5 10:53:17       -7.737572         0.006192
BFGS:    6 10:53:17       -7.737573         0.000079
BFGS:    7 10:53:18       -7.737573         0.000001
BFGS:    8 10:53:18       -7.737573         0.000000
Minimization converged after 8 steps.
Maximum force component: 1.7833697107783152e-31 eV/Angstrom
Maximum stress component: 3.744589172237731e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.7558883770477407, 8.8336577808009e-18, 1.012954584819434e-36], [-1.3779441885238704, 2.3866693445176113, 1.1940320439320815e-36], [6.705306715104381e-36, -3.3819104535740755e-35, 4.500363275334933]])
forces =  [[ 1.78336971e-31 -3.43209661e-32  1.47923360e-31]
 [-8.49223672e-33  1.47089855e-32 -1.47923360e-31]]
stress =  [ 1.83904608e-10  1.83904608e-10 -3.74458917e-10 -3.06019686e-33
  8.06136753e-45 -4.88148909e-26]
energy per atom =  -3.868786344304807
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0