h2-h2o-class1.car
0aa77408f808lammm-devel

h2-h2o-class1.car
View Options

			!BIOSYM archive 3
			PBC=ON
			Materials Studio Generated CAR File
			!DATE Tue Jul 02 12:42:22 2013
			PBC 10.0000 10.0000 10.0000 90.0000 90.0000 90.0000 (P1)
			H1 4.600000000 5.000000000 2.500000000 HYDR 1 h H 0.000
			H2 5.400000000 5.000000000 2.500000000 HYDR 1 h H 0.000
			end
			O1 5.000000000 5.000000000 7.500000000 TIP3 2 otip O -0.834
			H2 4.000000000 5.000000000 7.500000000 TIP3 2 htip H 0.417
			H3 5.000000000 4.000000000 7.500000000 TIP3 2 htip H 0.417
			end
			end