# 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