Molecular Geometries from:

Linear Scaling Conjugate Gradient Density Matrix Search for First Principles Electronic Structure Calculations

J. M. Millam and G. E. Scuseria, J. Chem. Phys. 106, 5569-5577 (1997).

Glycine 10

Glycine 20

Glycine 30

Glycine 40

Glycine 50

Glycine 60

Glycine 70

Water 30

Water 60

Water 90

Water 120

Water 150

Water 300