element(s):
['C', 'Si']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3792']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.3792, 0, 0], [0, 4.3792, 0], [0, 0, 4.3792]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:05:09      -18.531629        21.125510
BFGS:    1 20:05:09      -21.557472        19.239809
BFGS:    2 20:05:09      -24.309615        17.474992
BFGS:    3 20:05:09      -26.805666        15.824116
BFGS:    4 20:05:09      -29.062218        14.280621
BFGS:    5 20:05:09      -31.094910        12.838304
BFGS:    6 20:05:09      -32.918475        11.491303
BFGS:    7 20:05:09      -34.546790        10.234078
BFGS:    8 20:05:09      -35.993417         9.152684
BFGS:    9 20:05:09      -37.373907         9.238771
BFGS:   10 20:05:09      -38.760919         9.242363
BFGS:   11 20:05:09      -40.143370         9.181076
BFGS:   12 20:05:09      -41.512942         9.073745
BFGS:   13 20:05:09      -42.864050         8.937315
BFGS:   14 20:05:09      -44.193205         8.781776
BFGS:   15 20:05:09      -45.497449         8.602769
BFGS:   16 20:05:09      -46.771501         8.371926
BFGS:   17 20:05:09      -48.003365         8.026419
BFGS:   18 20:05:09      -49.168549         7.462050
BFGS:   19 20:05:09      -50.224050         6.538757
BFGS:   20 20:05:09      -51.104862         5.111021
BFGS:   21 20:05:09      -51.727511         3.091158
BFGS:   22 20:05:09      -52.004870         0.531247
BFGS:   23 20:05:09      -52.012411         0.048694
BFGS:   24 20:05:10      -52.012474         0.000437
BFGS:   25 20:05:10      -52.012474         0.000000
BFGS:   26 20:05:10      -52.012474         0.000000
Minimization converged after 26 steps.
Maximum force component: 4.917115288963157e-30 eV/Angstrom
Maximum stress component: 1.6477016229569932e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[4.98654731795644, -2.987921085207351e-34, -1.2104101242624003e-33], [-4.3941647535111376e-33, 4.98654731795644, -2.9254065808478664e-18], [6.177352452760043e-34, -2.9254065808478668e-18, 4.98654731795644]])
forces =  [[ 1.22927882e-31  8.19519215e-32 -8.19519215e-32]
 [-9.21959117e-32  7.17079313e-32  1.12683892e-31]
 [ 8.19519215e-32  8.19519215e-32  1.22927882e-31]
 [ 8.19519215e-32  1.22927882e-31 -8.19519215e-32]
 [-2.95026917e-30  2.21270188e-30  1.39318267e-30]
 [-4.91711529e-30 -3.27807686e-30 -4.71223549e-30]
 [ 1.96684612e-30  4.91711529e-31  3.11417302e-30]
 [-6.55615372e-31 -4.75321145e-30 -8.19519215e-31]]
stress =  [1.64770162e-13 1.64770162e-13 1.64770162e-13 5.88886454e-30
 4.95701885e-34 2.56082388e-50]
energy per atom =  -6.501559245006317
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0