./iterations/neb0_image08_iter173.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 {} {0.471051986509 0.228331592375 0.493000014153} O1 1 1
14 {} {0.330093345742 0.220697590146 0.576694408458} Si1 2 1
14 {} {0.612139814323 0.300304504576 0.450025211288} Si2 3 1
8 {} {0.588404935618 0.458314067074 0.410918151205} O2 4 1
8 {} {0.314278909023 0.347781441768 0.680787014069} O3 5 1
14 {} {0.300812146875 0.51182983134 0.67275943303} Si3 6 1
14 {} {0.511929922341 0.598499372682 0.450195844745} Si4 7 1
1 {} {0.33023116464 0.0967236663941 0.658556624794} H1 8 1
1 {} {0.218319252963 0.222328640775 0.47811985753} H2 9 1
1 {} {0.663057486609 0.231134819828 0.329319647262} H3 10 1
1 {} {0.708001684609 0.290766485889 0.563937472623} H4 11 1
1 {} {0.1573296359 0.549010426674 0.66109657862} H5 12 1
1 {} {0.363620196673 0.56785507992 0.795380304244} H6 13 1
1 {} {0.316312928925 0.894861916393 0.465829219273} H7 14 1
1 {} {0.468366447482 0.666350726598 0.324999251616} H8 15 1
1 {} {0.606561962098 0.683633552102 0.527919226319} H10 16 1
8 {} {0.377048882268 0.569286721581 0.539086624241} O 17 1
1 {} {0.272525553571 0.834807437439 0.452432908419} 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