./iterations/neb0_image04_iter257.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 {} {0.467132053778 0.261945256517 0.491402277841} O1 1 1
14 {} {0.325590397934 0.230245511466 0.567766966432} Si1 2 1
14 {} {0.598949711567 0.348283943886 0.447561739855} Si2 3 1
8 {} {0.557374642901 0.504912610263 0.427415423049} O2 4 1
8 {} {0.283706363296 0.348260938868 0.673305523286} O3 5 1
14 {} {0.240465066197 0.504009175196 0.700041042545} Si3 6 1
14 {} {0.581887092119 0.665031664655 0.400952256195} Si4 7 1
1 {} {0.343912957256 0.10576122251 0.64796508934} H1 8 1
1 {} {0.218064536167 0.214424505454 0.465547783842} H2 9 1
1 {} {0.648040174382 0.291891040327 0.318836306033} H3 10 1
1 {} {0.70069452689 0.338899160233 0.555793419521} H4 11 1
1 {} {0.106622651443 0.507625948897 0.765106834522} H5 12 1
1 {} {0.343063469607 0.563180147117 0.790741030896} H6 13 1
1 {} {0.458078824426 0.738705352655 0.438141135607} H7 14 1
1 {} {0.613448605953 0.68888415765 0.25690050193} H8 15 1
1 {} {0.695515649644 0.715825307657 0.483232635688} H10 16 1
8 {} {0.236308404728 0.57944520795 0.552505392341} O 17 1
1 {} {0.191230826942 0.665186658384 0.547842906283} 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