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# Diffusion constants from VAC for atoms in ':WAT@O'
3D= 21.7525 Ang.^2/ps, 217.525 x10^-5 cm^2/s
 D= 7.25083 Ang.^2/ps, 72.5083 x10^-5 cm^2/s
6D= 43.505 Ang.^2/ps, 435.05 x10^-5 cm^2/s