element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
Tersoff_LAMMPS_Tersoff_1988T3_Si__MO_186459956893_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:27:58      -37.019590         0.232427
BFGS:    1 15:27:58      -37.021833         0.217945
BFGS:    2 15:27:58      -37.037786         0.007473
BFGS:    3 15:27:58      -37.037804         0.000228
BFGS:    4 15:27:58      -37.037804         0.000000
BFGS:    5 15:27:58      -37.037804         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.7436018214521147e-31 eV/Angstrom
Maximum stress component: 3.4732239656745814e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[5.90618516e-33 1.60494161e-33 4.87946235e-33]
 [6.80495247e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.431978956036851, -1.5127750274237954e-33, -1.9127132141266842e-34], [1.512754914466007e-33, 5.431978956036851, -1.5343864596766373e-19], [-1.0058794459190957e-33, -1.5343864596766376e-19, 5.431978956036851]])
forces =  [[-5.33542157e-32  1.74360182e-31 -1.67385775e-32]
 [ 8.43903282e-32  1.11590517e-32  4.74259695e-32]
 [-2.78976291e-32 -7.25338358e-32 -1.67385775e-32]
 [ 2.89437902e-32  1.39488146e-32  1.67385775e-32]
 [ 1.67385775e-32 -9.48519391e-32 -3.34771550e-32]
 [ 4.46362066e-32 -3.90566808e-32  1.67385775e-32]
 [-1.60411368e-31  4.32413252e-32 -1.56924164e-32]
 [ 1.11590517e-32 -5.57952583e-32 -4.46362066e-32]]
stress =  [-3.47322397e-13 -3.47322397e-13 -3.47322397e-13 -7.71269493e-29
 -3.48115256e-35 -7.73010162e-51]
energy per atom =  -4.629725503248417
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0