./iterations/neb0_image03_iter192.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 {} {0.459060206657 0.263084270626 0.493021616594} O1 1 1
14 {} {0.324102326206 0.236872474367 0.5824382555} Si1 2 1
14 {} {0.583003762982 0.350127873282 0.431276970532} Si2 3 1
8 {} {0.530472439067 0.493523178657 0.371379617404} O2 4 1
8 {} {0.307319843358 0.35004496641 0.699020675034} O3 5 1
14 {} {0.260625396836 0.504046140445 0.733376055273} Si3 6 1
14 {} {0.559979456962 0.656104786769 0.363324995702} Si4 7 1
1 {} {0.339010239321 0.105318131374 0.648692803973} H1 8 1
1 {} {0.206424921258 0.239603768734 0.491956797923} H2 9 1
1 {} {0.64034015322 0.269805516464 0.319274779895} H3 10 1
1 {} {0.68382746821 0.375208003536 0.539402001579} H4 11 1
1 {} {0.112339273371 0.514003803992 0.731024254534} H5 12 1
1 {} {0.318086912863 0.536478351492 0.865540465872} H6 13 1
1 {} {0.433353759111 0.725931305139 0.325818817731} H7 14 1
1 {} {0.661697372435 0.681613591516 0.256475324894} H8 15 1
1 {} {0.608984168097 0.707834686454 0.494403858217} H10 16 1
8 {} {0.322621902708 0.611000924234 0.622754397553} O 17 1
1 {} {0.258836605622 0.651916283149 0.561876090643} 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