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quack/examples/molecule.SiH4

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# nAt nEla nElb nCore nRyd
5 9 9 0 0
# Znuc x y z
Si 0.0 0.0 0.0
H 1.614582 1.614582 1.614582
H -1.614582 -1.614582 1.614582
H -1.614582 1.614582 -1.614582
H 1.614582 -1.614582 -1.614582