./iterations/neb0_image09_iter28.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471401044071 0.21448402745 0.494882780093} O1 1 1
14 {} {0.336222611834 0.217027791138 0.586890594507} Si1 2 1
14 {} {0.60283707666 0.299169929907 0.444470838362} Si2 3 1
8 {} {0.558349323586 0.450818493046 0.401433063815} O2 4 1
8 {} {0.328594715493 0.356589205669 0.67440237353} O3 5 1
14 {} {0.296049160323 0.517092675877 0.668693401303} Si3 6 1
14 {} {0.506908838108 0.599097337376 0.450666496772} Si4 7 1
1 {} {0.342125719434 0.104672734056 0.683766612696} H1 8 1
1 {} {0.218022819674 0.207908803047 0.496787152196} H2 9 1
1 {} {0.658549129991 0.228875948849 0.326140695877} H3 10 1
1 {} {0.702808189806 0.307570014412 0.554713346928} H4 11 1
1 {} {0.148826825061 0.534771464086 0.661153400254} H5 12 1
1 {} {0.346405432675 0.573398586922 0.796399311638} H6 13 1
1 {} {0.322891537815 0.880419424987 0.412932553593} H7 14 1
1 {} {0.48530155332 0.674777764804 0.323652571857} H8 15 1
1 {} {0.609869204618 0.665667845466 0.535392286782} H10 16 1
8 {} {0.368123623026 0.585513357903 0.53735460859} O 17 1
1 {} {0.306799356668 0.854662540144 0.481325905722} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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