Homec4science
Diffusion lammps (lammm-master) Browse

lammps/potentials/Si_2.meam.spline
8589d3752726lammm-master

Last Change
Raw File

Si_2.meam.spline
View Options

# DATE: 2012-02-01 CONTRIBUTOR: Alexander Stukowski, stukowski@mm.tu-darmstadt.de CITATION: Du, Lenosky, Hennig, Goedecker, Wilkins, Phys Stat Sol, 248, 2050 (2011) COMMENT: Spline-based MEAM potential for Si. Reference: Y. A. Du, T. J. Lenosky, R. G. Hennig, S. Goedecker, J. W. Wilkins, physica status solidi (b) 248, p. 2050 (2011)
8
-8.981284530036851566e-01 0.000000000000000000e+00
1 0 1 0
2.066934557346159274e+00 -1.970628107193761025e+00 7.736953725510338664e+00
2.520229620582422392e+00 -1.652934697903017280e+00 5.690875051149626884e+00
2.973524683818685066e+00 -4.922423909073249115e-01 -5.884522208102998420e+00
3.426819747054948184e+00 -1.586226378223823397e-02 -2.134997277485183975e+00
3.880114810291211302e+00 -1.248364395430307146e-02 6.126631178486743323e-01
4.333409873527473977e+00 -4.960250532850314469e-03 -1.946260157469190399e-01
4.786704936763737095e+00 -1.533662676159783418e-03 4.621245412308947614e-02
5.240000000000000213e+00 0.000000000000000000e+00 -4.549803316219245414e-02
5
-1.000000000000000000e+00 0.000000000000000000e+00
1 0 0 0
2.066934557346159274e+00 -7.304091888300687785e-01 8.040005223330050299e+00
2.425200918009619677e+00 -7.483130816474194980e-01 -1.696195394227187347e-01
2.783467278673079637e+00 -5.465466168278260151e-01 2.907058900533398216e+00
3.141733639336539596e+00 -1.595863639596551420e-01 -2.801652267345625003e+00
3.500000000000000000e+00 0.000000000000000000e+00 -2.329140701581749351e+00
2
7.406147122877125843e-01 7.828511354584826165e-01
1 1 1 1
-1.156588631770642417e+00 -3.788139192165480562e+00 -1.238494438745815496e-01
1.567671964541664664e+01 3.066847559510831989e+00 1.288676402356628004e-01
4
-3.502799657443684267e-01 0.000000000000000000e+00
1 0 1 0
2.066934557346159274e+00 5.622957616326315078e-01 1.140503905243326899e-01
2.544623038230772849e+00 3.717704075166097799e-01 -8.381457559781678723e-01
3.022311519115386425e+00 1.011544827402353353e-01 1.132606659586733899e+00
3.500000000000000000e+00 0.000000000000000000e+00 7.635901321505934591e-01
2
-1.334989503136143973e+01 1.962580696121676294e+00
1 1 1 1
-9.999999945360522613e-01 5.473825994559491370e+00 2.736002040283149839e+01
8.078100125518159480e-01 5.469999446855831060e+00 -1.041966088778555921e+01
c4science · Help