File: hydrogen-class1.data2

package info (click to toggle)
mdanalysis 2.10.0-1
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 116,696 kB
  • sloc: python: 92,135; ansic: 8,156; makefile: 215; sh: 138
file content (36 lines) | stat: -rw-r--r-- 743 bytes parent folder | download | duplicates (13)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
LAMMPS data file via write_data, version 8 Jul 2013-ICMS, timestep = 5

2 atoms
1 atom types
1 bonds
1 bond types

0.0000000000000000e+00 1.0000000000000000e+01 xlo xhi
0.0000000000000000e+00 1.0000000000000000e+01 ylo yhi
0.0000000000000000e+00 1.0000000000000000e+01 zlo zhi

Masses

1 1.00797

Pair Coeffs

1 0.038 2.44997

Bond Coeffs

1 398.75 0.7461

Atoms

1 1 1 0.0000000000000000e+00 4.6269506823868030e+00 5.0000000000000000e+00 5.0000000000000000e+00 0 0 0
2 1 1 0.0000000000000000e+00 5.3730493176131970e+00 5.0000000000000000e+00 5.0000000000000000e+00 0 0 0

Velocities

1 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
2 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00

Bonds

1 1 1 2