element(s):
['C']
AFLOW prototype label:
A_hP12_194_bc2f
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4678', '13.950077', '0.86916696', '0.13083843']
model name:
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.86916696]
 [0.33333333 0.66666667 0.13083843]]
spacegroup =  194
cell =  [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:30:29      -88.278462        1.6079
BFGS:    1 14:30:29      -88.349236        1.4736
BFGS:    2 14:30:29      -88.482249        1.1882
BFGS:    3 14:30:29      -88.587181        0.9120
BFGS:    4 14:30:29      -88.664939        0.6447
BFGS:    5 14:30:29      -88.716406        0.3861
BFGS:    6 14:30:29      -88.742443        0.1360
BFGS:    7 14:30:29      -88.746227        0.0035
BFGS:    8 14:30:29      -88.746230        0.0001
BFGS:    9 14:30:29      -88.746230        0.0000
BFGS:   10 14:30:29      -88.746230        0.0000
BFGS:   11 14:30:29      -88.746230        0.0000
BFGS:   12 14:30:29      -88.746230        0.0000
BFGS:   13 14:30:29      -88.746230        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.7221068346253046e-09 eV/Angstrom
Maximum stress component: 1.3899641311379128e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.12353742e-34 2.50000000e-01]
 [8.09048176e-35 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 8.69164265e-01]
 [6.66666667e-01 3.33333333e-01 3.69164265e-01]
 [6.66666667e-01 3.33333333e-01 1.30835735e-01]
 [3.33333333e-01 6.66666667e-01 6.30835735e-01]
 [3.33333333e-01 6.66666667e-01 1.30835735e-01]
 [6.66666667e-01 3.33333333e-01 6.30835735e-01]
 [6.66666667e-01 3.33333333e-01 8.69164265e-01]
 [3.33333333e-01 6.66666667e-01 3.69164265e-01]]
cellpar =  Cell([[2.5296784692229806, 7.107569166331992e-18, -1.0759989142613358e-39], [-1.2648392346114903, 2.1907658177536327, 2.414897209039582e-39], [1.1687946693284623e-36, 3.109212683948621e-36, 34.42599996569726]])
forces =  [[ 5.82039630e-31 -2.88034918e-31 -4.94339141e-70]
 [-6.23613890e-31  2.16026188e-31  4.50330619e-70]
 [ 6.65188149e-31 -2.88034918e-31  3.92587084e-48]
 [ 8.31485186e-32  1.44017459e-31  8.80170434e-71]
 [ 4.98891112e-31  2.88034918e-31 -1.72210683e-09]
 [-2.24501000e-30  4.32052377e-31 -1.72210683e-09]
 [-8.31485186e-31  1.44017459e-30  1.72210683e-09]
 [-4.15742593e-31 -4.32052377e-31  1.72210683e-09]
 [ 4.98891112e-31 -1.72820951e-30 -1.72210683e-09]
 [-2.16186148e-30  2.88034918e-31 -1.72210683e-09]
 [-2.16186148e-30  2.30427934e-30  1.72210683e-09]
 [ 1.49667334e-30  8.64104753e-31  1.72210683e-09]]
stress =  [ 1.38996413e-10  1.38996413e-10  3.14294267e-21 -2.93633397e-32
 -2.54765770e-33 -1.17494184e-26]
energy per atom =  -7.395519132241437
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0