File: CH.KC

package info (click to toggle)
lammps 20210122~gita77bb%2Bds1-2
  • links: PTS, VCS
  • area: main
  • in suites: bullseye
  • size: 331,996 kB
  • sloc: cpp: 802,213; python: 24,256; xml: 14,949; f90: 10,448; ansic: 8,476; perl: 4,161; sh: 3,466; fortran: 2,805; makefile: 1,250; objc: 238; lisp: 163; csh: 16; awk: 14; tcl: 6
file content (9 lines) | stat: -rw-r--r-- 733 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
# Refined parameters for Kolmogorov-Crespi Potential without taper function
#
# Cite as W. Ouyang, D. Mandelli, M. Urbakh and O. Hod, Nano Letters 18, 6009-6016 (2018).
# 
#        z0         C0             C2          C4         C          delta     lambda       A          S    rcut
C  C  3.328819  21.847167     12.060173     4.711099  6.678908e-4  0.7718101  3.143921  12.660270     1.0   2.0
C  H  3.156492  37.400478     8.3910462e-3  55.06177  5.176215e-5  0.4437309  2.508847  11.479055     1.0   1.5
H  H  2.218816  4.5283006e-5  4.8685736e-5  2.027741  1.193945     0.8968523  0.238105  9.2194017e-5  1.0   1.2
H  C  3.156492  37.400478     8.3910462e-3  55.06177  5.176215e-5  0.4437309  2.508847  11.479055     1.0   2.2