./iterations/neb0_image08_iter84.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472073914564 0.218504103465 0.48926828165} O1 1 1
14 {} {0.333389311121 0.221254930017 0.578212714181} Si1 2 1
14 {} {0.602448027313 0.307411757377 0.444340947115} Si2 3 1
8 {} {0.558220649152 0.459575142506 0.400509245316} O2 4 1
8 {} {0.329564420828 0.352663094352 0.677477341841} O3 5 1
14 {} {0.298680940915 0.51480777553 0.675250393242} Si3 6 1
14 {} {0.504528514254 0.605023612833 0.453731915017} Si4 7 1
1 {} {0.329906289603 0.0997798800741 0.663731183794} H1 8 1
1 {} {0.217878166546 0.226226154372 0.483826200344} H2 9 1
1 {} {0.663431255708 0.244638530656 0.324477829651} H3 10 1
1 {} {0.696769402833 0.31442623967 0.559809031378} H4 11 1
1 {} {0.152214225108 0.537907134877 0.665364288007} H5 12 1
1 {} {0.356354030981 0.571449929566 0.799916588947} H6 13 1
1 {} {0.333128512132 0.843065070931 0.416545735424} H7 14 1
1 {} {0.472178685202 0.683977302782 0.332666413899} H8 15 1
1 {} {0.608198170496 0.670636521199 0.538530345312} H10 16 1
8 {} {0.367950212857 0.585204366181 0.543421681973} O 17 1
1 {} {0.313171395663 0.815966435437 0.483977823419} 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