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_TiAlC__MO_736419017411_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: 4.774642196949767e-09 eV/Angstrom
Maximum stress component: 1.868651774038096e-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([[5.270282125189907, 5.158394186174336e-33, -7.871848738496117e-33], [1.383882437451275e-32, 5.270282125189907, -1.1155427848025772e-19], [6.058156160820515e-33, -1.1155427848027224e-19, 5.270282125189907]])
forces =  [[-4.77464220e-09 -4.77464220e-09 -4.77464220e-09]
 [ 4.77464220e-09  4.77464220e-09 -4.77464220e-09]
 [ 4.77464220e-09 -4.77464220e-09  4.77464220e-09]
 [-4.77464220e-09  4.77464220e-09  4.77464220e-09]
 [-4.77464220e-09 -4.77464220e-09  4.77464220e-09]
 [ 4.77464220e-09  4.77464220e-09  4.77464220e-09]
 [-4.77464220e-09  4.77464220e-09 -4.77464220e-09]
 [ 4.77464220e-09 -4.77464220e-09 -4.77464220e-09]
 [ 6.92919921e-31 -2.48702027e-09 -2.48702027e-09]
 [ 3.46459961e-31  2.48702027e-09 -2.48702027e-09]
 [-3.67165914e-42 -2.48702027e-09  2.48702027e-09]
 [ 1.73229980e-31  2.48702027e-09  2.48702027e-09]
 [-2.48702027e-09  5.29883764e-29 -2.48702027e-09]
 [-2.48702027e-09 -5.29883764e-29  2.48702027e-09]
 [ 2.48702027e-09  5.26419164e-29 -2.48702027e-09]
 [ 2.48702027e-09 -5.26419164e-29  2.48702027e-09]
 [-2.48702027e-09 -2.48702027e-09  5.29883764e-29]
 [ 2.48702027e-09 -2.48702027e-09  5.21222265e-29]
 [-2.48702027e-09  2.48702027e-09 -5.27285314e-29]
 [ 2.48702027e-09  2.48702027e-09 -5.26419164e-29]]
stress =  [ 1.86865177e-11  1.86865177e-11  1.86865177e-11  8.14708781e-28
 -2.36674495e-33 -6.54763588e-50]
energy per atom =  -7.092267199133795
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0