element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Tersoff_LAMMPS_Tersoff_1990_SiC__MO_444207127575_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:35:22      -40.571822         2.655733
BFGS:    1 16:35:22      -40.860468         2.417784
BFGS:    2 16:35:22      -41.200397         2.116988
BFGS:    3 16:35:22      -41.496266         1.830236
BFGS:    4 16:35:22      -41.750143         1.556994
BFGS:    5 16:35:22      -41.964014         1.296746
BFGS:    6 16:35:22      -42.139792         1.048995
BFGS:    7 16:35:22      -42.279314         0.813261
BFGS:    8 16:35:22      -42.384347         0.589080
BFGS:    9 16:35:22      -42.456593         0.376005
BFGS:   10 16:35:22      -42.497683         0.173606
BFGS:   11 16:35:22      -42.509298         0.008189
BFGS:   12 16:35:22      -42.509325         0.000192
BFGS:   13 16:35:22      -42.509325         0.000000
BFGS:   14 16:35:22      -42.509325         0.000000
Minimization converged after 14 steps.
Maximum force component: 6.50674385992635e-31 eV/Angstrom
Maximum stress component: 5.879156388014585e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.399081471769058, -6.032848430520904e-33, 8.043264044193637e-34], [-1.5291654086651607e-32, 4.399081471769058, -2.3986578725395652e-17], [5.145216518007716e-34, -2.398657872539565e-17, 4.399081471769058]])
forces =  [[ 3.61485770e-31 -7.22971540e-32 -7.22971540e-32]
 [ 4.88005789e-31 -7.22971540e-32 -5.06080078e-31]
 [ 1.80742885e-31 -5.33191511e-31 -2.53040039e-31]
 [ 2.07854318e-31 -2.16891462e-31 -6.50674386e-31]
 [ 5.06080078e-31 -3.02744332e-31 -5.06080078e-31]
 [ 3.16300049e-31  7.22971540e-32  7.22971540e-32]
 [ 1.44594308e-31 -5.15117222e-31 -1.44594308e-31]
 [ 2.16891462e-31 -1.44594308e-31  2.53040039e-31]]
stress =  [-5.87915639e-13 -5.87915639e-13 -5.87915639e-13 -7.92437600e-30
 -1.69849855e-33  2.13649758e-50]
energy per atom =  -5.31366561300752
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0