File: atomic_positions

package info (click to toggle)
espresso 6.7-4
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 311,068 kB
  • sloc: f90: 447,429; ansic: 52,566; sh: 40,631; xml: 37,561; tcl: 20,077; lisp: 5,923; makefile: 4,503; python: 4,379; perl: 1,219; cpp: 761; fortran: 618; java: 568; awk: 128
file content (20 lines) | stat: -rw-r--r-- 1,085 bytes parent folder | download | duplicates (5) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
 
ATOMIC_POSITIONS alat
  H        -.165910596    .207224941   1.600487035   1 1 1
  H         .166634023    .207318079   1.600936930   1 1 1
  H         .000347726    .494802622   1.597684221   1 1 1
  C         .000457893    .302353493   1.540068732   1 1 1
  H         .250000000    .721687836    .984740162   1 1 1
  Rh       -.001359727    .293616333   1.171360082   1 1 1
  Rh        .755222426   -.430162262    .809517103   1 1 1
  Rh        .500246380    .000465008    .812037246   1 1 1
  Rh        .244181905   -.429259658    .809993432   1 1 1
  Rh        .000522292   -.005337884    .810175552   1 1 1
  Rh       -.249999925    .144337524    .408248167   0 0 0
  Rh        .000000000   -.288675049    .408248167   0 0 0
  Rh        .499999849   -.288675047    .408248167   0 0 0
  Rh        .249999925    .144337523    .408248167   0 0 0
  Rh       -.499999849    .288675047    .000000000   0 0 0
  Rh       -.249999925   -.144337523    .000000000   0 0 0
  Rh        .249999925   -.144337524    .000000000   0 0 0
  Rh        .000000000    .288675049    .000000000   0 0 0