quack/examples/molecule.Be

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# nAt nEl nEla nElb nCore nRyd
  1   4   2     2   0     0
# Znuc   x            y           z
  Be     0.0          0.0         0.0
removing examples 2019-03-19 10:19:18 +01:00			`# nAt nEl nEla nElb nCore nRyd`
			`1 4 2 2 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
			`Be 0.0 0.0 0.0`