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 13:43:43      -18.531629        21.125510
BFGS:    1 13:43:43      -21.557472        19.239809
BFGS:    2 13:43:43      -24.309615        17.474992
BFGS:    3 13:43:44      -26.805666        15.824116
BFGS:    4 13:43:44      -29.062218        14.280621
BFGS:    5 13:43:44      -31.094910        12.838304
BFGS:    6 13:43:44      -32.918475        11.491303
BFGS:    7 13:43:45      -34.546790        10.234078
BFGS:    8 13:43:45      -35.993417         9.152684
BFGS:    9 13:43:45      -37.373907         9.238771
BFGS:   10 13:43:45      -38.760919         9.242363
BFGS:   11 13:43:46      -40.143370         9.181076
BFGS:   12 13:43:46      -41.512942         9.073745
BFGS:   13 13:43:46      -42.864050         8.937315
BFGS:   14 13:43:46      -44.193205         8.781776
BFGS:   15 13:43:47      -45.497449         8.602769
BFGS:   16 13:43:47      -46.771501         8.371926
BFGS:   17 13:43:47      -48.003365         8.026419
BFGS:   18 13:43:47      -49.168549         7.462050
BFGS:   19 13:43:48      -50.224050         6.538757
BFGS:   20 13:43:48      -51.104862         5.111021
BFGS:   21 13:43:48      -51.727511         3.091158
BFGS:   22 13:43:48      -52.004870         0.531247
BFGS:   23 13:43:49      -52.012411         0.048694
BFGS:   24 13:43:49      -52.012474         0.000437
BFGS:   25 13:43:49      -52.012474         0.000000
BFGS:   26 13:43:49      -52.012474         0.000000
Minimization converged after 26 steps.
Maximum force component: 4.698149998751515e-30 eV/Angstrom
Maximum stress component: 1.5062067264574154e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 9.2694034e-34 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [7.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 2.5000000e-01 7.5000000e-01]
 [2.5000000e-01 7.5000000e-01 7.5000000e-01]]
cellpar =  Cell([[4.986547317956438, -1.1797126698003901e-32, -1.2853863691095037e-32], [9.080769433867299e-33, 4.986547317956438, -2.0760295043100216e-17], [2.8117330573250746e-33, -2.076029504310023e-17, 4.986547317956438]])
forces =  [[ 1.02439902e-32  4.09759607e-32  3.07319706e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.09759607e-32  4.09759607e-32  1.02439902e-32]
 [ 1.86548542e-65  1.02439902e-32 -4.26483988e-50]
 [-6.04395421e-31 -9.55324133e-48  2.29465380e-30]
 [-3.45222469e-30 -1.63903843e-31  3.94393622e-31]
 [ 3.27807686e-31 -6.55615372e-31  4.69815000e-30]
 [-1.80294227e-30  6.55615372e-31 -4.15906002e-30]]
stress =  [ 1.50620673e-13  1.50620673e-13  1.50620673e-13 -1.02443211e-29
  6.60935847e-34 -2.06056558e-49]
energy per atom =  -6.5015592450063195
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0