File: in.meam-spline.Si

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 (22 lines) | stat: -rw-r--r-- 374 bytes parent folder | download | duplicates (3) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
 
# Si fcc phase

units		metal
boundary	p p p

atom_style	atomic
lattice		fcc 3.98
region		box block 0 5 0 5 0 5
create_box		1 box
create_atoms	1 box

pair_style      meam/spline
pair_coeff      * * Si_1.meam.spline Si
mass            * 28.085

velocity        all create 500.0 44226611

fix             1 all nvt temp 500.0 500.0 1.0

thermo          50
run             500