element(s):
['C']
AFLOW prototype label:
A_oC8_65_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.5860263  0.         0.        ]
 [0.68934767 0.         0.5       ]]
spacegroup =  65
cell =  [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:43:42      -56.943637        8.1146
BFGS:    1 16:43:42      -57.700258        3.0229
BFGS:    2 16:43:42      -57.886313        1.6808
BFGS:    3 16:43:42      -57.966879        1.2480
BFGS:    4 16:43:42      -58.048108        1.1757
BFGS:    5 16:43:42      -58.124137        1.0700
BFGS:    6 16:43:42      -58.187252        0.9558
BFGS:    7 16:43:42      -58.237981        0.8350
BFGS:    8 16:43:42      -58.276485        0.7080
BFGS:    9 16:43:42      -58.303994        0.5753
BFGS:   10 16:43:42      -58.322781        0.5021
BFGS:   11 16:43:42      -58.336111        0.5641
BFGS:   12 16:43:42      -58.348125        0.5535
BFGS:   13 16:43:42      -58.362316        0.4311
BFGS:   14 16:43:42      -58.375021        0.2522
BFGS:   15 16:43:42      -58.379031        0.0770
BFGS:   16 16:43:42      -58.379394        0.0121
BFGS:   17 16:43:42      -58.379406        0.0104
BFGS:   18 16:43:42      -58.379408        0.0090
BFGS:   19 16:43:42      -58.379413        0.0037
BFGS:   20 16:43:42      -58.379415        0.0027
BFGS:   21 16:43:42      -58.379416        0.0010
BFGS:   22 16:43:42      -58.379416        0.0002
BFGS:   23 16:43:42      -58.379416        0.0000
BFGS:   24 16:43:42      -58.379416        0.0000
BFGS:   25 16:43:42      -58.379416        0.0000
BFGS:   26 16:43:42      -58.379416        0.0000
BFGS:   27 16:43:42      -58.379416        0.0000
BFGS:   28 16:43:42      -58.379416        0.0000
Minimization converged after 28 steps.
Maximum force component: 4.43883255152322e-09 eV/Angstrom
Maximum stress component: 9.386774662647507e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.92546908e-01 7.12588923e-36 7.06182816e-36]
 [4.07453092e-01 0.00000000e+00 1.63974866e-36]
 [9.25469079e-02 5.00000000e-01 0.00000000e+00]
 [9.07453092e-01 5.00000000e-01 0.00000000e+00]
 [6.92751896e-01 7.99110471e-37 5.00000000e-01]
 [3.07248104e-01 3.84974256e-36 5.00000000e-01]
 [1.92751896e-01 5.00000000e-01 5.00000000e-01]
 [8.07248104e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[7.959119858095863, 8.539818472374718e-36, 0.0], [4.934737448205968e-36, 2.516641640293287, 0.0], [0.0, 0.0, 2.55947489034322]])
forces =  [[ 4.43883255e-09  4.76268962e-45  0.00000000e+00]
 [-4.43883255e-09 -4.76269092e-45  0.00000000e+00]
 [ 4.43883255e-09  4.76268962e-45  0.00000000e+00]
 [-4.43883255e-09 -4.76269092e-45  0.00000000e+00]
 [ 6.28112409e-10  6.73939588e-46  0.00000000e+00]
 [-6.28112409e-10  7.75500079e-33  0.00000000e+00]
 [ 6.28112409e-10  6.73939588e-46  6.30959275e-32]
 [-6.28112409e-10  7.75500079e-33  0.00000000e+00]]
stress =  [ 2.16388576e-11  9.38677466e-11  6.19912521e-11  0.00000000e+00
  0.00000000e+00 -6.15366764e-34]
energy per atom =  -7.297426988597003
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0