./iterations/neb0_image09_iter291.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 {} {0.472428383703 0.210391263506 0.49536014996} O1 1 1
14 {} {0.333434136943 0.214245766028 0.582468358592} Si1 2 1
14 {} {0.606859672681 0.292509298249 0.447814522828} Si2 3 1
8 {} {0.571301663809 0.448867451105 0.4135317229} O2 4 1
8 {} {0.322852830655 0.352921746353 0.67017707537} O3 5 1
14 {} {0.300373290047 0.515338569655 0.669368733012} Si3 6 1
14 {} {0.512389464058 0.596868729946 0.45232877538} Si4 7 1
1 {} {0.334031870391 0.100881292493 0.67813769171} H1 8 1
1 {} {0.219303632752 0.207100271089 0.487511087451} H2 9 1
1 {} {0.657824807245 0.229209432598 0.323643297521} H3 10 1
1 {} {0.707506899921 0.288607840153 0.55770981116} H4 11 1
1 {} {0.155117574539 0.546283161999 0.660489271001} H5 12 1
1 {} {0.361347229534 0.569384774609 0.793900831892} H6 13 1
1 {} {0.312884071359 0.919669098306 0.438645088752} H7 14 1
1 {} {0.480331033035 0.668286598832 0.326080516661} H8 15 1
1 {} {0.614064760304 0.669771401309 0.533390020342} H10 16 1
8 {} {0.373200858976 0.583793354436 0.538411628641} O 17 1
1 {} {0.274834057115 0.858387821772 0.46208906648} 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