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 17:26:08      -40.571822         2.655733
BFGS:    1 17:26:08      -40.860468         2.417784
BFGS:    2 17:26:08      -41.200397         2.116988
BFGS:    3 17:26:08      -41.496266         1.830236
BFGS:    4 17:26:08      -41.750143         1.556994
BFGS:    5 17:26:08      -41.964014         1.296746
BFGS:    6 17:26:08      -42.139792         1.048995
BFGS:    7 17:26:08      -42.279314         0.813261
BFGS:    8 17:26:08      -42.384347         0.589080
BFGS:    9 17:26:08      -42.456593         0.376005
BFGS:   10 17:26:08      -42.497683         0.173606
BFGS:   11 17:26:08      -42.509298         0.008189
BFGS:   12 17:26:08      -42.509325         0.000192
BFGS:   13 17:26:08      -42.509325         0.000000
BFGS:   14 17:26:08      -42.509325         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.891886159967266e-31 eV/Angstrom
Maximum stress component: 5.881016901706971e-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([[4.399081471769057, -1.502326688761845e-34, 3.493202416470053e-33], [-4.912020978167611e-35, 4.399081471769057, -1.5428873861582167e-17], [-1.2050579172713948e-32, -1.542887386158215e-17, 4.399081471769057]])
forces =  [[-2.25928606e-31 -1.44594308e-31  7.22971540e-32]
 [ 7.22971540e-32 -1.44594308e-31 -7.45564401e-32]
 [-5.42228655e-32 -8.13342982e-32  2.21410034e-31]
 [ 1.08445731e-31  2.25928606e-31 -1.44594308e-31]
 [ 2.89188616e-31  2.16891462e-31 -1.17482875e-31]
 [ 6.32600097e-32  7.22971540e-32  7.22971540e-32]
 [ 9.03714425e-33 -1.08445731e-31  3.80351106e-49]
 [ 7.22971540e-32  3.61485770e-32  2.16891462e-31]]
stress =  [-5.88101690e-13 -5.88101690e-13 -5.88101690e-13 -2.68427735e-28
 -1.81539857e-61  2.51252861e-63]
energy per atom =  -5.313665613007521
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0