File: spacegroup.in

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file content (16 lines) | stat: -rw-r--r-- 524 bytes parent folder | download | duplicates (7)
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 'I41/amd:2'                          : hrmg
 12.420224 12.420224 11.268814        : a, b, c
 90.0     90.0     90.0               : ab, ac, bc
 1  1  1                              : ncell
 .true.                               : primcell
 3                                    : nspecies
 'Hf' 'Hf.in'                         : spsymb, spfname
 1                                    : nwpos
 0.0000    0.7500    0.1250           : wpos
 'Si' 'Si.in'
 1
 0.0000    0.7500    0.6250
 'O' 'O.in'
 1
 0.0000    0.0655    0.1948