iterations/neb0_image09_iter152.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 {} {0.471999377393 0.216780635563 0.494355342841} O1 1 1
14 {} {0.333976129729 0.215687636734 0.58350517311} Si1 2 1
14 {} {0.604744436756 0.299079394081 0.444448257664} Si2 3 1
8 {} {0.566234804578 0.452923975041 0.400203213078} O2 4 1
8 {} {0.32485200279 0.350271025329 0.677779319267} O3 5 1
14 {} {0.29862571464 0.512503296722 0.672784589327} Si3 6 1
14 {} {0.509220649706 0.598215374986 0.451650415411} Si4 7 1
1 {} {0.336542415616 0.0967980653485 0.672501272412} H1 8 1
1 {} {0.218280412588 0.212731734609 0.489651674774} H2 9 1
1 {} {0.65955419133 0.229341284982 0.325429129633} H3 10 1
1 {} {0.70361951653 0.30371565458 0.555985317587} H4 11 1
1 {} {0.153565267479 0.540719371885 0.656975751583} H5 12 1
1 {} {0.354895573175 0.570053095393 0.797824964854} H6 13 1
1 {} {0.320324116517 0.897102811261 0.421839600986} H7 14 1
1 {} {0.472779023219 0.677939332413 0.332311656742} H8 15 1
1 {} {0.613651917796 0.66429205526 0.53456522526} H10 16 1
8 {} {0.373508460561 0.579584244468 0.542231963534} O 17 1
1 {} {0.293712113708 0.854778941772 0.477014932537} 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