File: POSCAR-unitcell

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phonopy 2.44.0-1
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file content (10 lines) | stat: -rw-r--r-- 419 bytes parent folder | download | duplicates (3)
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     3.0751691007292523    0.0000000000000000    0.0000000000000000
    -1.5375845503646262    2.6631745621644800    0.0000000000000000
     0.0000000000000000    0.0000000000000000    3.5270080068586522
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   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.3333333333333357  0.6666666666666643  0.5000000000000000
   0.6666666666666643  0.3333333333333357  0.5000000000000000