File: fhiaims.in

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file content (10 lines) | stat: -rw-r--r-- 563 bytes parent folder | download | duplicates (4)
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lattice_vector  18.600000000000   0.000000000000   0.000000000000
lattice_vector   0.000000000000  18.600000000000   0.000000000000
lattice_vector   0.000000000000   0.000000000000  55.800000000000
atom   6.861735000000   2.103823000000  37.753513000000 O
atom   7.119867000000   2.218342000000  36.808137000000 H
atom   7.394193000000   1.415300000000  38.335713000000 H
atom  11.150187000000   3.314877000000  38.741698000000 O
atom  10.441989000000   3.154266000000  39.417404000000 H
atom  12.040210000000   3.004673000000  39.173454000000 H