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_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== 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 17:46:01      -87.478999         2.499007
BFGS:    1 17:46:01      -87.648837         2.259323
BFGS:    2 17:46:01      -87.858378         1.933372
BFGS:    3 17:46:01      -88.035881         1.618501
BFGS:    4 17:46:01      -88.182437         1.314403
BFGS:    5 17:46:01      -88.299111         1.020779
BFGS:    6 17:46:01      -88.386933         0.737338
BFGS:    7 17:46:01      -88.446908         0.463797
BFGS:    8 17:46:01      -88.480013         0.199878
BFGS:    9 17:46:01      -88.487784         0.006239
BFGS:   10 17:46:01      -88.487792         0.000235
BFGS:   11 17:46:01      -88.487792         0.000180
BFGS:   12 17:46:01      -88.487792         0.000066
BFGS:   13 17:46:01      -88.487792         0.000025
BFGS:   14 17:46:01      -88.487792         0.000004
BFGS:   15 17:46:01      -88.487792         0.000000
BFGS:   16 17:46:01      -88.487792         0.000000
BFGS:   17 17:46:01      -88.487792         0.000000
Minimization converged after 17 steps.
Maximum force component: 5.533775917071788e-10 eV/Angstrom
Maximum stress component: 1.3146884903973286e-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 2.54800645e-34 2.50000000e-01]
 [2.72777767e-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([[2.5551610932750135, 9.450833751044042e-19, -1.3925138576468174e-38], [-1.2775805466375068, 2.2128344175377817, 5.484723120415976e-38], [-2.362609136746408e-36, -1.6229016826883026e-36, 34.42599998303594]])
forces =  [[-4.19930561e-31  1.45468213e-31 -1.08964261e-63]
 [ 5.03916673e-31 -2.90936427e-31 -9.04197231e-69]
 [ 4.19930561e-31 -1.45468213e-31 -5.43640261e-69]
 [-5.03916673e-31  2.90936427e-31  9.04197231e-69]
 [ 1.29128648e-30 -1.07282807e-30 -5.53377592e-10]
 [-1.67972224e-31  2.90936427e-31 -5.53377592e-10]
 [-1.29128648e-30  1.07282807e-30  5.53377592e-10]
 [ 1.51175002e-30 -2.90936427e-31  5.53377592e-10]
 [-2.72954865e-31 -6.90974014e-31 -5.53377592e-10]
 [ 1.67972224e-31  8.72809281e-31 -5.53377592e-10]
 [ 2.83453129e-31  6.72790487e-31  5.53377592e-10]
 [-8.39861122e-31  2.90936427e-31  5.53377592e-10]]
stress =  [-1.31468849e-11 -1.31468849e-11  7.79696166e-22  6.90356936e-33
  2.98933322e-33 -1.71397760e-27]
energy per atom =  -7.373982668920012
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0