File: alfa.bs

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file content (39 lines) | stat: -rw-r--r-- 1,598 bytes parent folder | download | duplicates (9)
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* date   Mon Sep  8 11:47:32 1997
* alat     9.28990
* basis    1.00000    .00000    .00000
* basis    -.50000    .86603    .00000
* basis     .00000    .00000   1.09960
  line     .0000    .0000    .0000   1.0000    .0000    .0000
  line    1.0000    .0000    .0000    .5000    .8660    .0000
  line     .5000    .8660    .0000   -.5000    .8660    .0000
  line    -.5000    .8660    .0000    .0000    .0000    .0000
  line     .0000    .0000   1.0996   1.0000    .0000   1.0996
  line    1.0000    .0000   1.0996    .5000    .8660   1.0996
  line     .5000    .8660   1.0996   -.5000    .8660   1.0996
  line    -.5000    .8660   1.0996    .0000    .0000   1.0996
  line     .0000    .0000    .0000    .0000    .0000   1.0996
  line    1.0000    .0000    .0000   1.0000    .0000   1.0996
  line    -.5000    .8660    .0000   -.5000    .8660   1.0996
  line     .5000    .8660    .0000    .5000    .8660   1.0996
  
  atom  Si        -.2349    -.4068     .3665
  atom  Si         .4697     .0000     .0000
  atom  Si        -.2349     .4068     .7331
  atom  O          .2800     .2311     .1310
  atom  O          .0601    -.3581     .4975
  atom  O         -.3402     .1270     .8640
  atom  O          .2801    -.2311    -.1310
  atom  O          .0602     .3581     .6021
  atom  O         -.3402    -.1270     .2356
  
  spec  Si        .2153     .78
  spec  O         .1076     .86
  
  bonds  Si    Si        .0000    .5597    .0015    1.00
  bonds  Si    O         .0000    .4198    .0015    1.00
  bonds  O     O         .0000    .2799    .0015    1.00

  scale 60
  dist   8
  inc    5