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 15:34:02      -18.483792        0.4130
BFGS:    1 15:34:02      -18.486910        0.3540
BFGS:    2 15:34:02      -18.495258        0.1439
BFGS:    3 15:34:02      -18.496253        0.0946
BFGS:    4 15:34:02      -18.496894        0.0448
BFGS:    5 15:34:02      -18.496973        0.0436
BFGS:    6 15:34:02      -18.497358        0.0223
BFGS:    7 15:34:02      -18.497408        0.0100
BFGS:    8 15:34:02      -18.497414        0.0010
BFGS:    9 15:34:02      -18.497414        0.0000
BFGS:   10 15:34:02      -18.497414        0.0000
BFGS:   11 15:34:02      -18.497414        0.0000
BFGS:   12 15:34:02      -18.497414        0.0000
Minimization converged after 12 steps.
Maximum force component: 4.992608069497006e-10 eV/Angstrom
Maximum stress component: 4.860575621306287e-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([[3.8391586297772795, 1.3844243239090454e-18, -8.550169247011642e-39], [-1.9195793148886398, 3.3248089025453793, -2.7154194962676956e-38], [-1.3810182850502286e-36, -3.248750838935866e-36, 6.269319789816658]])
forces =  [[-5.67855403e-31  1.09283823e-31 -4.99260807e-10]
 [ 3.78570269e-31 -2.18567647e-31 -4.99260807e-10]
 [ 3.15475224e-31 -1.09283823e-31  4.99260807e-10]
 [-5.04760359e-31  4.37135293e-31  4.99260807e-10]]
stress =  [ 4.11015369e-12  4.11015369e-12  4.86057562e-12 -2.36533871e-33
  1.36562894e-33  6.48455786e-28]
energy per atom =  -4.624353470931101
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0