iterations/neb0_image05_iter195.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 {} {0.473070333732 0.240520446342 0.487621477129} O1 1 1
14 {} {0.327068981356 0.226472036553 0.563439124066} Si1 2 1
14 {} {0.600799671303 0.342288908088 0.466118085651} Si2 3 1
8 {} {0.552914220874 0.497072088441 0.492804820964} O2 4 1
8 {} {0.285552558917 0.363045678998 0.642492484716} O3 5 1
14 {} {0.248136508319 0.521614073792 0.664928393846} Si3 6 1
14 {} {0.558908731959 0.652638654094 0.440521352811} Si4 7 1
1 {} {0.338984211767 0.115640384472 0.662382063684} H1 8 1
1 {} {0.224795304789 0.196651364207 0.459872858438} H2 9 1
1 {} {0.645339814269 0.332627085046 0.324273953957} H3 10 1
1 {} {0.708887717999 0.31098040078 0.564299610699} H4 11 1
1 {} {0.133625255782 0.522082687328 0.759404257407} H5 12 1
1 {} {0.369153751627 0.595825856496 0.714451548293} H6 13 1
1 {} {0.467593912799 0.729042305651 0.530997210648} H7 14 1
1 {} {0.514109293123 0.667077468684 0.297897269216} H8 15 1
1 {} {0.699279591574 0.705145185852 0.448918576679} H10 16 1
8 {} {0.199363908368 0.593728080571 0.522878970962} O 17 1
1 {} {0.26250224605 0.660065263148 0.487756094798} 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