./iterations/neb0_image04_iter271.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467916510299 0.262681602847 0.492290741596} O1 1 1
14 {} {0.327020433194 0.230179218792 0.567539812663} Si1 2 1
14 {} {0.59958621355 0.348456967577 0.448854472005} Si2 3 1
8 {} {0.562566273861 0.5061969567 0.430987325158} O2 4 1
8 {} {0.279967459295 0.348599740326 0.668857512156} O3 5 1
14 {} {0.235958396402 0.503862255788 0.699445564603} Si3 6 1
14 {} {0.586793557252 0.666076112957 0.402036425107} Si4 7 1
1 {} {0.343926598962 0.107157398398 0.648686578116} H1 8 1
1 {} {0.221679653655 0.213810933822 0.463892148786} H2 9 1
1 {} {0.648857838295 0.295330343098 0.319642678089} H3 10 1
1 {} {0.701393565562 0.333989248151 0.55592880717} H4 11 1
1 {} {0.1067761111 0.503315851494 0.774126521218} H5 12 1
1 {} {0.342453661273 0.568765944528 0.780833224165} H6 13 1
1 {} {0.466125401083 0.741676248965 0.444575667106} H7 14 1
1 {} {0.611543536998 0.6858949826 0.256500809043} H8 15 1
1 {} {0.704659343483 0.71448488652 0.479719221198} H10 16 1
8 {} {0.221784830251 0.577375619968 0.551843325748} O 17 1
1 {} {0.181076547124 0.664663449215 0.545297472306} 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