./iterations/neb0_image06_iter36.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.46916723583 0.226162517556 0.481938120229} O1 1 1
14 {} {0.332324875713 0.232670305604 0.572069162546} Si1 2 1
14 {} {0.59593520178 0.319996040632 0.439539873988} Si2 3 1
8 {} {0.540360027728 0.469395719374 0.400262970555} O2 4 1
8 {} {0.332926954086 0.364065587065 0.664846886478} O3 5 1
14 {} {0.291670362789 0.521268676722 0.684535880241} Si3 6 1
14 {} {0.495234053757 0.62147677174 0.445841900998} Si4 7 1
1 {} {0.329294650672 0.112950397874 0.658853175609} H1 8 1
1 {} {0.21613881858 0.235348787062 0.479623649998} H2 9 1
1 {} {0.663679949226 0.248870600577 0.32832982071} H3 10 1
1 {} {0.691707278984 0.332132398986 0.552232375599} H4 11 1
1 {} {0.143507788203 0.524665437493 0.698051859489} H5 12 1
1 {} {0.340862123975 0.561150333647 0.818052815443} H6 13 1
1 {} {0.355677873715 0.792076966359 0.420809625751} H7 14 1
1 {} {0.518621673774 0.68279087892 0.306828730765} H8 15 1
1 {} {0.594606039035 0.684108636479 0.537802944712} H10 16 1
8 {} {0.364274138434 0.598837313499 0.556256769939} O 17 1
1 {} {0.334097090339 0.744550582334 0.48518142076} 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