element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:41:33      -18.483792         0.413020
BFGS:    1 15:41:33      -18.486910         0.353984
BFGS:    2 15:41:33      -18.495258         0.143857
BFGS:    3 15:41:33      -18.496253         0.094612
BFGS:    4 15:41:33      -18.496894         0.044797
BFGS:    5 15:41:33      -18.496973         0.043635
BFGS:    6 15:41:33      -18.497358         0.022343
BFGS:    7 15:41:33      -18.497408         0.010034
BFGS:    8 15:41:33      -18.497414         0.001039
BFGS:    9 15:41:33      -18.497414         0.000040
BFGS:   10 15:41:33      -18.497414         0.000002
BFGS:   11 15:41:33      -18.497414         0.000000
BFGS:   12 15:41:33      -18.497414         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.992633222716359e-10 eV/Angstrom
Maximum stress component: 4.860625921695658e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.83915862977728, 3.6766988429104764e-19, -1.584141251432244e-37], [-1.91957931488864, 3.3248089025453798, 3.207290412518714e-37], [-3.1942888441577024e-37, -4.547587149853192e-37, 6.269319789816658]])
forces =  [[ 4.33778433e-32 -2.04907169e-32 -4.99263322e-10]
 [ 6.30950448e-32  1.09283823e-31 -4.99263322e-10]
 [ 1.30133530e-31 -3.07360753e-31  4.99263322e-10]
 [ 6.30950448e-32 -1.09283823e-31  4.99263322e-10]]
stress =  [4.11044052e-12 4.11044052e-12 4.86062592e-12 6.81361403e-48
 2.78932683e-48 2.07821144e-28]
energy per atom =  -4.624353470931103
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0