./iterations/neb0_image06_iter104.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469936131114 0.224326831452 0.491652244365} O1 1 1
14 {} {0.33059217363 0.222640428703 0.577453833526} Si1 2 1
14 {} {0.596865363345 0.320656513385 0.447624309438} Si2 3 1
8 {} {0.552229848918 0.472763231964 0.409605311628} O2 4 1
8 {} {0.324286887635 0.352741753844 0.678518955943} O3 5 1
14 {} {0.294716571983 0.514501162602 0.673659716107} Si3 6 1
14 {} {0.495376996543 0.621437750053 0.445552409324} Si4 7 1
1 {} {0.327330567232 0.0986754122856 0.65937548478} H1 8 1
1 {} {0.214770221891 0.229146749561 0.484154145146} H2 9 1
1 {} {0.653040333056 0.266679472002 0.321969613706} H3 10 1
1 {} {0.694421710132 0.324819061177 0.560281771362} H4 11 1
1 {} {0.147749021265 0.540057238211 0.668389066671} H5 12 1
1 {} {0.358459020609 0.57453719042 0.794144285088} H6 13 1
1 {} {0.370201718331 0.799826567691 0.448174101904} H7 14 1
1 {} {0.499294984806 0.67883264394 0.307231606102} H8 15 1
1 {} {0.59236756617 0.696914361495 0.530962430594} H10 16 1
8 {} {0.358964075546 0.58224294694 0.537737218473} O 17 1
1 {} {0.329482905768 0.751718650975 0.494571501223} 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