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 09:35:03      -18.531629       21.1255
BFGS:    1 09:35:03      -21.557472       19.2398
BFGS:    2 09:35:03      -24.309615       17.4750
BFGS:    3 09:35:03      -26.805666       15.8241
BFGS:    4 09:35:03      -29.062218       14.2806
BFGS:    5 09:35:03      -31.094910       12.8383
BFGS:    6 09:35:03      -32.918475       11.4913
BFGS:    7 09:35:03      -34.546790       10.2341
BFGS:    8 09:35:03      -35.993417        9.1527
BFGS:    9 09:35:03      -37.373907        9.2388
BFGS:   10 09:35:03      -38.760919        9.2424
BFGS:   11 09:35:03      -40.143370        9.1811
BFGS:   12 09:35:03      -41.512942        9.0737
BFGS:   13 09:35:03      -42.864050        8.9373
BFGS:   14 09:35:03      -44.193205        8.7818
BFGS:   15 09:35:03      -45.497449        8.6028
BFGS:   16 09:35:03      -46.771501        8.3719
BFGS:   17 09:35:03      -48.003365        8.0264
BFGS:   18 09:35:03      -49.168549        7.4621
BFGS:   19 09:35:03      -50.224050        6.5388
BFGS:   20 09:35:03      -51.104862        5.1110
BFGS:   21 09:35:03      -51.727511        3.0912
BFGS:   22 09:35:03      -52.004870        0.5312
BFGS:   23 09:35:03      -52.012411        0.0487
BFGS:   24 09:35:03      -52.012474        0.0004
BFGS:   25 09:35:03      -52.012474        0.0000
BFGS:   26 09:35:03      -52.012474        0.0000
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