element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:37:44     -141.690792         0.475087
BFGS:    1 16:37:44     -141.703502         0.462509
BFGS:    2 16:37:44     -141.735390         0.405938
BFGS:    3 16:37:44     -141.773795         0.321429
BFGS:    4 16:37:44     -141.805288         0.276986
BFGS:    5 16:37:44     -141.832090         0.227918
BFGS:    6 16:37:44     -141.844213         0.081281
BFGS:    7 16:37:44     -141.845248         0.018849
BFGS:    8 16:37:44     -141.845343         0.001259
BFGS:    9 16:37:44     -141.845344         0.000196
BFGS:   10 16:37:44     -141.845344         0.000015
BFGS:   11 16:37:44     -141.845344         0.000002
BFGS:   12 16:37:44     -141.845344         0.000000
BFGS:   13 16:37:44     -141.845344         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.77464129865213e-09 eV/Angstrom
Maximum stress component: 1.8689925565303313e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.26291497 0.26291497 0.26291497]
 [0.73708503 0.73708503 0.26291497]
 [0.73708503 0.26291497 0.73708503]
 [0.26291497 0.73708503 0.73708503]
 [0.26291497 0.26291497 0.73708503]
 [0.73708503 0.73708503 0.73708503]
 [0.26291497 0.73708503 0.26291497]
 [0.73708503 0.26291497 0.26291497]
 [0.5        0.15201159 0.15201159]
 [0.5        0.84798841 0.15201159]
 [0.5        0.15201159 0.84798841]
 [0.5        0.84798841 0.84798841]
 [0.15201159 0.5        0.15201159]
 [0.15201159 0.5        0.84798841]
 [0.84798841 0.5        0.15201159]
 [0.84798841 0.5        0.84798841]
 [0.15201159 0.15201159 0.5       ]
 [0.84798841 0.15201159 0.5       ]
 [0.15201159 0.84798841 0.5       ]
 [0.84798841 0.84798841 0.5       ]]
cellpar =  Cell([[5.270282125189906, 1.8137611321729687e-32, 4.5267303518578246e-33], [-4.892688152171781e-32, 5.270282125189906, -1.272421687376326e-19], [-6.702416186545168e-33, -1.2724216873762127e-19, 5.270282125189906]])
forces =  [[-4.77464130e-09 -4.77464130e-09 -4.77464130e-09]
 [ 4.77464130e-09  4.77464130e-09 -4.77464130e-09]
 [ 4.77464130e-09 -4.77464130e-09  4.77464130e-09]
 [-4.77464130e-09  4.77464130e-09  4.77464130e-09]
 [-4.77464130e-09 -4.77464130e-09  4.77464130e-09]
 [ 4.77464130e-09  4.77464130e-09  4.77464130e-09]
 [-4.77464130e-09  4.77464130e-09 -4.77464130e-09]
 [ 4.77464130e-09 -4.77464130e-09 -4.77464130e-09]
 [-3.46459961e-31 -2.48700851e-09 -2.48700851e-09]
 [-6.92919921e-31  2.48700851e-09 -2.48700851e-09]
 [-5.19689941e-31 -2.48700851e-09  2.48700851e-09]
 [ 3.46459961e-31  2.48700851e-09  2.48700851e-09]
 [-2.48700851e-09  5.93517511e-29 -2.48700851e-09]
 [-2.48700851e-09 -6.00446710e-29  2.48700851e-09]
 [ 2.48700851e-09  5.98714410e-29 -2.48700851e-09]
 [ 2.48700851e-09 -5.95249811e-29  2.48700851e-09]
 [-2.48700851e-09 -2.48700851e-09  5.93517511e-29]
 [ 2.48700851e-09 -2.48700851e-09  5.97848260e-29]
 [-2.48700851e-09  2.48700851e-09 -6.03911310e-29]
 [ 2.48700851e-09  2.48700851e-09 -5.93517511e-29]]
stress =  [ 1.86899256e-11  1.86899256e-11  1.86899256e-11  4.71954105e-28
 -9.17961844e-60  1.51770028e-60]
energy per atom =  -7.092267199133825
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0