File: POSCAR-unitcell

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phonopy 2.44.0-1
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file content (24 lines) | stat: -rw-r--r-- 1,126 bytes parent folder | download | duplicates (3)
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Mg O
   1.00000000000000
     4.2555564654942897    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.2555564654942888    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.2555564654942897
   4   4
Direct
  0.0000000000000000  0.0000000000000000  0.0000000000000000
  0.0000000000000000  0.5000000000000000  0.5000000000000000
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  0.5000000000000000  0.5000000000000000  0.0000000000000000
  0.5000000000000000  0.5000000000000000  0.5000000000000000
  0.5000000000000000  0.0000000000000000  0.0000000000000000
  0.0000000000000000  0.5000000000000000  0.0000000000000000
  0.0000000000000000  0.0000000000000000  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
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