iterations/neb0_image09_iter209.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 {} {0.472090166798 0.215566768458 0.493863079144} O1 1 1
14 {} {0.333263386788 0.214970375301 0.581717162414} Si1 2 1
14 {} {0.605979125894 0.297182870053 0.444812648297} Si2 3 1
8 {} {0.569676760127 0.451855460304 0.402360254706} O2 4 1
8 {} {0.322847290621 0.349133917698 0.676869788587} O3 5 1
14 {} {0.29979140319 0.512123209254 0.673183157465} Si3 6 1
14 {} {0.511274699725 0.59716996815 0.452623192621} Si4 7 1
1 {} {0.33482594715 0.0966199706089 0.67124926075} H1 8 1
1 {} {0.218439395534 0.212131830667 0.486756132698} H2 9 1
1 {} {0.659335859421 0.228920019963 0.324279273825} H3 10 1
1 {} {0.705217971173 0.300125853819 0.556175529001} H4 11 1
1 {} {0.154629189767 0.542180101225 0.659258335433} H5 12 1
1 {} {0.357161124602 0.568118585441 0.798642296143} H6 13 1
1 {} {0.317482117542 0.910117167996 0.429062968633} H7 14 1
1 {} {0.474019589994 0.674357266179 0.331458690214} H8 15 1
1 {} {0.615008616414 0.666367349681 0.534461193997} H10 16 1
8 {} {0.375259983252 0.578528624846 0.543442006427} O 17 1
1 {} {0.283783478451 0.857048613012 0.470842679847} 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