File: POSCAR-unitcell

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phonopy 2.44.0-1
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file content (20 lines) | stat: -rw-r--r-- 906 bytes parent folder | download | duplicates (3)
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Si O
   1.00000000000000
     4.0444481195475825    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.0444481195475825    0.0000000000000000
     0.0000000000000000    0.0000000000000000    2.6211679887202837
   2   4
Direct
  0.0000000000000000  0.0000000000000000  0.0000000000000000
  0.5000000000000000  0.5000000000000000  0.5000000000000000
  0.3030082337326380  0.3030082337326380  0.0000000000000000
  0.6969917662673621  0.6969917662673621  0.0000000000000000
  0.1969917662673621  0.8030082337326379  0.5000000000000000
  0.8030082337326379  0.1969917662673621  0.5000000000000000

  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00