./iterations/neb0_image05_iter42.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.469418659274 0.226734272407 0.483560463578} O1 1 1
14 {} {0.332934615717 0.231867394447 0.570865460739} Si1 2 1
14 {} {0.591132563626 0.327833907636 0.440250682202} Si2 3 1
8 {} {0.529726670106 0.476156100769 0.40706961231} O2 4 1
8 {} {0.334415393748 0.370378111505 0.659226140748} O3 5 1
14 {} {0.284749724453 0.519309051704 0.691101207553} Si3 6 1
14 {} {0.501488735762 0.640409200123 0.427606033965} Si4 7 1
1 {} {0.330835958201 0.118048064437 0.663009979075} H1 8 1
1 {} {0.215509996483 0.23274538599 0.482405884141} H2 9 1
1 {} {0.658100036732 0.256886697546 0.328218436117} H3 10 1
1 {} {0.690077437287 0.334207852901 0.550303292802} H4 11 1
1 {} {0.134488171605 0.529709312121 0.695647919234} H5 12 1
1 {} {0.341951859403 0.566541931192 0.821192622368} H6 13 1
1 {} {0.385369608445 0.762883262753 0.424792613951} H7 14 1
1 {} {0.535854069285 0.684323905295 0.287053903687} H8 15 1
1 {} {0.594638311212 0.686757176918 0.534055190623} H10 16 1
8 {} {0.349301909952 0.609793822839 0.565090806756} O 17 1
1 {} {0.330092402872 0.697932507821 0.499607726398} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end