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_ErhartAlbe_2005SiII_SiC__MO_408791041969_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 15:08:36       -7.791522        2.4079
BFGS:    1 15:08:36       -7.944771        1.0121
BFGS:    2 15:08:36       -7.963071        1.1759
BFGS:    3 15:08:36       -7.971840        0.3758
BFGS:    4 15:08:36       -7.976423        0.1454
BFGS:    5 15:08:36       -7.977789        0.0152
BFGS:    6 15:08:36       -7.977795        0.0022
BFGS:    7 15:08:36       -7.977796        0.0002
BFGS:    8 15:08:36       -7.977796        0.0000
BFGS:    9 15:08:36       -7.977796        0.0000
BFGS:   10 15:08:36       -7.977796        0.0000
Minimization converged after 10 steps.
Maximum force component: 4.278062957255274e-32 eV/Angstrom
Maximum stress component: 4.644406771788736e-11 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([[2.7766216066963465, -1.9425652967968974e-17, -7.578683100037322e-36], [-1.3883108033481733, 2.4046248480958003, 2.0143621929571636e-36], [3.002365725485671e-35, 1.9812589814716286e-35, 4.600268507360467]])
forces =  [[-4.27806296e-32  3.45791712e-32  9.12434071e-68]
 [ 1.99642938e-32 -3.45791712e-32 -2.89670861e-68]]
stress =  [ 2.03358950e-11  2.03358950e-11 -4.64440677e-11 -7.42845828e-34
 -1.28664672e-33 -6.46278960e-27]
energy per atom =  -3.9888977526562384
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0