iterations/neb0_image06_iter135.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 {} {0.470618118485 0.22806785378 0.487667905193} O1 1 1
14 {} {0.329529211665 0.223578496326 0.572353675589} Si1 2 1
14 {} {0.60168055775 0.320077094138 0.449074402749} Si2 3 1
8 {} {0.566386136621 0.476347698287 0.424800840094} O2 4 1
8 {} {0.317988690819 0.353043200595 0.673361455692} O3 5 1
14 {} {0.289175374631 0.51492102323 0.66504201487} Si3 6 1
14 {} {0.49092212292 0.618173895785 0.447270639602} Si4 7 1
1 {} {0.330586245112 0.103609029825 0.658943217493} H1 8 1
1 {} {0.215610949729 0.222508654888 0.475753133956} H2 9 1
1 {} {0.657179365207 0.265676740031 0.322252963001} H3 10 1
1 {} {0.70131908133 0.317817429182 0.560660964191} H4 11 1
1 {} {0.142808876286 0.53667389652 0.682346077302} H5 12 1
1 {} {0.365022242715 0.582372700923 0.774019066163} H6 13 1
1 {} {0.387053120431 0.805404203526 0.477025312114} H7 14 1
1 {} {0.481457212703 0.675178323721 0.308526635809} H8 15 1
1 {} {0.589429295783 0.697322995424 0.526392528086} H10 16 1
8 {} {0.343818286288 0.571524033965 0.518918007225} O 17 1
1 {} {0.329501172794 0.760220621856 0.506649142211} 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