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_ErhartAlbe_2005_SiC__MO_903987585848_005
==== 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 16:34:09      -49.235598         0.197297
BFGS:    1 16:34:09      -49.237231         0.188898
BFGS:    2 16:34:09      -49.254562         0.043232
BFGS:    3 16:34:09      -49.255549         0.001195
BFGS:    4 16:34:09      -49.255550         0.000008
BFGS:    5 16:34:09      -49.255550         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.9476384745044544e-30 eV/Angstrom
Maximum stress component: 5.639887118146845e-11 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 7.31945267e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [8.82003411e-40 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 7.11317072e-36]
 [5.00000000e-01 3.67039609e-33 7.50000000e-01]
 [5.00000000e-01 3.66328292e-33 2.50000000e-01]]
cellpar =  Cell([[6.768886969699492, 3.9808393871537855e-32, -4.64081736151167e-33], [2.122574912260342e-32, 6.768886969699492, -7.136948281168704e-19], [1.3878456195273302e-32, -7.136948281169807e-19, 6.768886969699492]])
forces =  [[-9.90766560e-32 -1.91200564e-32 -1.82509629e-32]
 [-4.31070363e-31 -3.66540331e-52  3.47637389e-33]
 [-1.04291217e-32 -1.80771443e-30 -4.17164867e-32]
 [ 1.73818695e-33  1.94763847e-30  1.73818695e-32]
 [-2.95491781e-32 -1.39054956e-32  1.71385233e-30]
 [-2.90139949e-63 -6.95274779e-33 -1.40445505e-30]
 [-3.72861184e-63 -1.19587262e-30  1.04291217e-32]
 [-6.95274779e-33  1.17153800e-30 -3.99782998e-32]
 [ 9.90766560e-32 -4.34546737e-33 -2.08582434e-32]
 [-2.92015407e-31 -2.08582434e-32 -1.39054956e-32]
 [-2.78109912e-32 -1.39054956e-32 -1.14025064e-30]
 [-1.73818695e-33 -4.34546737e-34  1.44106562e-30]]
stress =  [-5.63988712e-11 -5.63988712e-11 -5.63988712e-11 -6.71123759e-27
  2.69020847e-34  2.52014153e-50]
energy per atom =  -4.104629155818404
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0