iterations/neb0_image03_iter270.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457338590071 0.266165888489 0.485804943029} O1 1 1
14 {} {0.324508839536 0.240939125159 0.578052754805} Si1 2 1
14 {} {0.586854829707 0.348870718654 0.430092725928} Si2 3 1
8 {} {0.540378308072 0.493923361148 0.369912167802} O2 4 1
8 {} {0.303400456645 0.358134181115 0.689947712526} O3 5 1
14 {} {0.251626966052 0.507435114703 0.735726787756} Si3 6 1
14 {} {0.566335455815 0.656513210346 0.365664226637} Si4 7 1
1 {} {0.341791011182 0.112148954569 0.649704730071} H1 8 1
1 {} {0.206060617561 0.237748655588 0.486882406342} H2 9 1
1 {} {0.647009631562 0.269451823132 0.319879099701} H3 10 1
1 {} {0.682992102196 0.369908419603 0.542641194963} H4 11 1
1 {} {0.1027312032 0.500953092184 0.749182697907} H5 12 1
1 {} {0.31751369941 0.542531129289 0.863928577983} H6 13 1
1 {} {0.432654618419 0.719944676584 0.345304516098} H7 14 1
1 {} {0.655607433613 0.691003000711 0.252412725013} H8 15 1
1 {} {0.627158343706 0.703501892908 0.493352353591} H10 16 1
8 {} {0.301356227645 0.625147112216 0.630699236531} O 17 1
1 {} {0.264767786953 0.62819768074 0.54186872599} 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