./iterations/neb0_image04_iter290.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.470026469833 0.260584099909 0.490946736632} O1 1 1
14 {} {0.326495128751 0.232071634237 0.566239156839} Si1 2 1
14 {} {0.60287841489 0.34628500053 0.450696876518} Si2 3 1
8 {} {0.565054696223 0.504857704622 0.439786603477} O2 4 1
8 {} {0.28037966997 0.353846964911 0.666362390289} O3 5 1
14 {} {0.231598614395 0.507753613079 0.696656620173} Si3 6 1
14 {} {0.590532461865 0.663980474416 0.405521044452} Si4 7 1
1 {} {0.344240275368 0.110799492755 0.652424995794} H1 8 1
1 {} {0.224304214744 0.209799107251 0.457582420319} H2 9 1
1 {} {0.651036458234 0.297558656621 0.318753490168} H3 10 1
1 {} {0.705217039494 0.326990220642 0.55752779108} H4 11 1
1 {} {0.109248577071 0.500118871094 0.781058121486} H5 12 1
1 {} {0.342309908053 0.5778134151 0.768138174433} H6 13 1
1 {} {0.473552566945 0.743421156059 0.455106162473} H7 14 1
1 {} {0.604150014704 0.682951823961 0.257841852205} H8 15 1
1 {} {0.714393288151 0.710986492701 0.47524998125} H10 16 1
8 {} {0.201633191507 0.57529760385 0.549022136526} O 17 1
1 {} {0.173034931687 0.667401401826 0.54214380554} 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