./iterations/neb0_image09_iter118.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 {} {0.471793431964 0.214786994048 0.493949372117} O1 1 1
14 {} {0.335171384779 0.216238927407 0.585154419698} Si1 2 1
14 {} {0.603679101855 0.299343766689 0.444533174708} Si2 3 1
8 {} {0.561930485211 0.452081571957 0.400895329647} O2 4 1
8 {} {0.326788800247 0.353037077152 0.676428486436} O3 5 1
14 {} {0.297148249647 0.514639207081 0.670866231239} Si3 6 1
14 {} {0.5078934952 0.598785347827 0.451464639858} Si4 7 1
1 {} {0.338711182577 0.10069018331 0.678393034578} H1 8 1
1 {} {0.217841327326 0.210767504324 0.493541595316} H2 9 1
1 {} {0.658855918864 0.231116772754 0.324920296697} H3 10 1
1 {} {0.702342119751 0.307476800362 0.556016068059} H4 11 1
1 {} {0.151186971626 0.538423306393 0.657380862887} H5 12 1
1 {} {0.351465281019 0.574187178002 0.795708354406} H6 13 1
1 {} {0.322567853594 0.883812105886 0.415854982412} H7 14 1
1 {} {0.476342893983 0.677670111584 0.329893447537} H8 15 1
1 {} {0.612230915383 0.664740028199 0.535391049168} H10 16 1
8 {} {0.370736929356 0.58208706846 0.539752428501} O 17 1
1 {} {0.303399809304 0.85263403716 0.480914186951} 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