iterations/neb0_image02_iter234.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.459255701923 0.262087211203 0.490723253786} O1 1 1
14 {} {0.32664847779 0.239197693555 0.584979977648} Si1 2 1
14 {} {0.583588690676 0.348442311006 0.42832843615} Si2 3 1
8 {} {0.530119842604 0.491264935677 0.366790152234} O2 4 1
8 {} {0.313461172348 0.356530231741 0.699651923399} O3 5 1
14 {} {0.245534738618 0.503740564341 0.730641458296} Si3 6 1
14 {} {0.559728868174 0.653138386306 0.357517641742} Si4 7 1
1 {} {0.343465683768 0.109054823086 0.655798270807} H1 8 1
1 {} {0.206697428239 0.24040032716 0.496266045274} H2 9 1
1 {} {0.642770872672 0.267828513554 0.317777580341} H3 10 1
1 {} {0.683442960296 0.377418047286 0.53610225174} H4 11 1
1 {} {0.0986387661803 0.487923299475 0.746477156063} H5 12 1
1 {} {0.312429517272 0.554073083462 0.854282504883} H6 13 1
1 {} {0.434724012305 0.719677259513 0.311932977464} H7 14 1
1 {} {0.670650210456 0.680858212642 0.262379009722} H8 15 1
1 {} {0.5970670704 0.706501075607 0.491946564472} H10 16 1
8 {} {0.261516133831 0.609575431605 0.604286333861} O 17 1
1 {} {0.340346099736 0.66480666863 0.595176450518} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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