iterations/neb0_image06_iter50.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 {} {0.470242192745 0.221226511351 0.482293654511} O1 1 1
14 {} {0.331555062335 0.227447696079 0.570999872692} Si1 2 1
14 {} {0.594145713173 0.320089888296 0.442386654752} Si2 3 1
8 {} {0.537877318688 0.468327874928 0.404954588053} O2 4 1
8 {} {0.333159751054 0.359444458249 0.669721316194} O3 5 1
14 {} {0.294464912955 0.5174587789 0.68404869694} Si3 6 1
14 {} {0.49851416571 0.619576456977 0.451717949597} Si4 7 1
1 {} {0.329622421157 0.111598017885 0.661991738817} H1 8 1
1 {} {0.213836594369 0.233786339568 0.479787245484} H2 9 1
1 {} {0.658984205148 0.258942818327 0.324578256722} H3 10 1
1 {} {0.691384821943 0.33433161884 0.554184586382} H4 11 1
1 {} {0.14476075446 0.536394921509 0.682914707841} H5 12 1
1 {} {0.347643010556 0.570924957667 0.813760297117} H6 13 1
1 {} {0.3656742719 0.786874289609 0.424014764322} H7 14 1
1 {} {0.505513136969 0.683182076784 0.313624087376} H8 15 1
1 {} {0.598292407418 0.688082095907 0.537414778034} H10 16 1
8 {} {0.365963700683 0.593320876607 0.555606282637} O 17 1
1 {} {0.32845168218 0.741508277485 0.47705850322} 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