QuAcK/examples/molecule.O3-OM

mirror of https://github.com/pfloos/quack synced 2024-11-05 13:43:51 +01:00
# nAt nEla nElb nCore nRyd
  3   12    12  0     0
# Znuc   x            y           z
O           0.00000        0.16401       -1.09584
O          -0.00000       -0.51280        0.00000
O          -0.00000        0.16401        1.09584
clean up 2020-01-17 13:45:02 +01:00			`# nAt nEla nElb nCore nRyd`
			`3 12 12 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
clean up 2020-01-17 13:45:02 +01:00			`O 0.00000 0.16401 -1.09584`
			`O -0.00000 -0.51280 0.00000`
			`O -0.00000 0.16401 1.09584`