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:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== 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 16:34:05      -51.386566         0.057448
BFGS:    1 16:34:05      -51.386704         0.055035
BFGS:    2 16:34:05      -51.388258         0.000446
BFGS:    3 16:34:05      -51.388258         0.000003
BFGS:    4 16:34:05      -51.388258         0.000000
Minimization converged after 4 steps.
Maximum force component: 3.185439227871979e-31 eV/Angstrom
Maximum stress component: 8.820028267998723e-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 1.11590762e-37 5.00000000e-01]
 [7.50000000e-01 7.32515236e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 5.57953808e-38]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [1.73148175e-40 2.50000000e-01 5.00000000e-01]
 [2.49677755e-40 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 3.66285516e-33 7.50000000e-01]
 [5.00000000e-01 3.66263198e-33 2.50000000e-01]]
cellpar =  Cell([[6.741744332581501, -4.875400799946356e-33, 7.632438297307738e-33], [-2.437731743428825e-33, 6.741744332581501, 8.263795090344961e-21], [-5.3626456916532074e-33, 8.263795090253505e-21, 6.741744332581501]])
forces =  [[-9.69481504e-32 -2.76994715e-32 -2.26874673e-32]
 [-4.15492073e-32  3.28931225e-32 -6.92486789e-33]
 [-1.03873018e-32  9.96670419e-32 -3.11619055e-32]
 [-6.92486789e-33 -3.18543923e-31  5.53989431e-32]
 [-2.42370376e-32 -3.28931225e-32  5.88613770e-32]
 [ 3.46243394e-32 -2.64667672e-34  6.23238110e-32]
 [-6.92486789e-33  2.05882486e-31  5.88613770e-32]
 [-1.38497358e-32  1.24647622e-31  2.42370376e-32]
 [-9.00232825e-32  3.11619055e-32 -6.92486789e-33]
 [-4.15492073e-32 -3.11169256e-32 -2.42370376e-32]
 [-2.42370376e-32 -3.46243394e-32 -2.11208471e-31]
 [ 3.80867734e-32  2.88600893e-52  2.35445508e-31]]
stress =  [-8.82002827e-12 -8.82002827e-12 -8.82002827e-12 -5.71479218e-28
 -3.16389959e-34 -3.18643417e-50]
energy per atom =  -4.282354828918096
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0