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_ErhartAlbe_2005SiII_SiC__MO_408791041969_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      -87.479059        2.4990
BFGS:    1 14:30:29      -87.648895        2.2593
BFGS:    2 14:30:29      -87.858436        1.9334
BFGS:    3 14:30:29      -88.035937        1.6185
BFGS:    4 14:30:29      -88.182493        1.3144
BFGS:    5 14:30:29      -88.299165        1.0208
BFGS:    6 14:30:29      -88.386987        0.7373
BFGS:    7 14:30:29      -88.446961        0.4638
BFGS:    8 14:30:29      -88.480065        0.1999
BFGS:    9 14:30:29      -88.487836        0.0062
BFGS:   10 14:30:29      -88.487844        0.0002
BFGS:   11 14:30:29      -88.487844        0.0002
BFGS:   12 14:30:29      -88.487844        0.0001
BFGS:   13 14:30:29      -88.487844        0.0000
BFGS:   14 14:30:29      -88.487844        0.0000
BFGS:   15 14:30:29      -88.487844        0.0000
BFGS:   16 14:30:29      -88.487844        0.0000
BFGS:   17 14:30:29      -88.487844        0.0000
Minimization converged after 17 steps.
Maximum force component: 5.531086004054111e-10 eV/Angstrom
Maximum stress component: 1.3139396670683553e-11 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 1.92604780e-34 2.50000000e-01]
 [2.71861280e-34 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([[2.5551607403904733, -2.566546916831234e-18, -3.3056426873741054e-39], [-1.2775803701952366, 2.212834111930805, -5.5316042890971275e-39], [-3.5030488512969554e-37, 2.4849130851241686e-35, 34.42599998303582]])
forces =  [[-9.23847107e-31  4.36404580e-31 -1.92094866e-49]
 [ 9.23847107e-31 -4.36404580e-31  2.21685831e-70]
 [ 4.61923553e-31 -2.18202290e-31  5.44825134e-65]
 [-5.03916604e-31  2.90936387e-31 -2.92662347e-70]
 [-3.39881251e-31  8.79627982e-31 -5.53108600e-10]
 [-1.84769421e-30  2.03655471e-30 -5.53108600e-10]
 [ 1.01144199e-30  2.84685800e-31  5.53108600e-10]
 [ 1.84769421e-30  2.90936387e-31  5.53108600e-10]
 [-1.35165131e-31 -5.68235130e-32 -5.53108600e-10]
 [-3.35944402e-31 -5.81872774e-31 -5.53108600e-10]
 [ 1.36477413e-31  5.45505725e-32  5.53108600e-10]
 [ 3.35944402e-31  5.81872774e-31  5.53108600e-10]]
stress =  [-1.31393967e-11 -1.31393967e-11  7.78931190e-22  2.15736572e-33
  7.47333409e-34 -5.07889120e-28]
energy per atom =  -7.373986988501173
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0