./iterations/neb0_image09_iter297.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472582366176 0.210378373447 0.49562862405} O1 1 1
14 {} {0.333428561958 0.214479121776 0.582983268787} Si1 2 1
14 {} {0.606866956398 0.292197624598 0.448096001061} Si2 3 1
8 {} {0.570977910939 0.448655694345 0.414583881231} O2 4 1
8 {} {0.323088085983 0.353596488883 0.669535056331} O3 5 1
14 {} {0.300307846966 0.516358962171 0.668737435777} Si3 6 1
14 {} {0.512583986668 0.597219390115 0.451823876263} Si4 7 1
1 {} {0.334155410349 0.101431333043 0.679342819808} H1 8 1
1 {} {0.219207213198 0.206036969431 0.487768762262} H2 9 1
1 {} {0.657669728155 0.229139381278 0.32353897871} H3 10 1
1 {} {0.707620536036 0.287639297323 0.558005099406} H4 11 1
1 {} {0.155034867673 0.546302019755 0.660579857658} H5 12 1
1 {} {0.361402079756 0.569944377299 0.793119808195} H6 13 1
1 {} {0.312455111983 0.918692935383 0.438766702164} H7 14 1
1 {} {0.481407134712 0.66743009618 0.324930790495} H8 15 1
1 {} {0.613660526786 0.670253586976 0.5336143333} H10 16 1
8 {} {0.372244428075 0.584197414847 0.537693972467} O 17 1
1 {} {0.275393505134 0.858564787414 0.462308395756} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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