element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:34:10      -51.386566         0.057448
BFGS:    1 16:34:10      -51.386704         0.055035
BFGS:    2 16:34:10      -51.388258         0.000446
BFGS:    3 16:34:10      -51.388258         0.000003
BFGS:    4 16:34:10      -51.388258         0.000000
Minimization converged after 4 steps.
Maximum force component: 2.160558772027841e-30 eV/Angstrom
Maximum stress component: 8.819996760243588e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.32520819e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 5.57953810e-38]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.66268779e-33 7.50000000e-01]
 [5.00000000e-01 3.66261804e-33 2.50000000e-01]]
cellpar =  Cell([[6.74174430569713, -3.92534443824364e-39, -5.104082785602302e-34], [-1.8627942913822259e-38, 6.74174430569713, -2.31848705849545e-21], [-3.377233626933687e-34, -2.318487058595743e-21, 6.74174430569713]])
forces =  [[-1.28802542e-30 -5.53989429e-32 -5.53989429e-32]
 [-8.86383086e-31  6.23238107e-32  5.19365089e-32]
 [-5.10709005e-32  7.20186257e-31 -1.38497357e-32]
 [ 4.84740750e-32 -7.47885729e-31  2.76994714e-32]
 [-4.15492072e-32 -8.30984143e-32 -1.99436194e-30]
 [-3.46243393e-32  7.27111125e-32  6.64787314e-31]
 [ 6.92486786e-32 -2.76994714e-31  3.13783075e-32]
 [-5.53989429e-32  6.09388372e-31  4.15492072e-32]
 [ 1.93896300e-31 -4.84740750e-32  6.92486786e-32]
 [ 1.55117040e-30  5.10709005e-32 -4.84740750e-32]
 [-5.79957683e-32 -6.23238107e-32 -3.87792600e-31]
 [-4.15492072e-32  2.76994714e-32  2.16055877e-30]]
stress =  [-8.81999676e-12 -8.81999676e-12 -8.81999676e-12  3.91688492e-27
  7.68375620e-34  5.55666111e-54]
energy per atom =  -4.282354840807457
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0