./iterations/neb0_image04_iter232.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 {} {0.464979033225 0.260652026001 0.49037913471} O1 1 1
14 {} {0.325115181794 0.229087752112 0.569610062172} Si1 2 1
14 {} {0.595015885465 0.349239952537 0.447142958641} Si2 3 1
8 {} {0.552195954561 0.504694464771 0.425000382222} O2 4 1
8 {} {0.287538876353 0.346506250119 0.678073248476} O3 5 1
14 {} {0.245009549847 0.503272483714 0.702931075306} Si3 6 1
14 {} {0.57648211483 0.665940941798 0.399794948853} Si4 7 1
1 {} {0.34294447631 0.102240235653 0.645970558433} H1 8 1
1 {} {0.217375401419 0.214686843607 0.467695286224} H2 9 1
1 {} {0.64641405534 0.292314900629 0.320772331519} H3 10 1
1 {} {0.698705767739 0.34343563113 0.552708986706} H4 11 1
1 {} {0.105091079117 0.514142359958 0.753345079762} H5 12 1
1 {} {0.345388218688 0.558966808771 0.798929869816} H6 13 1
1 {} {0.449258443741 0.736525641797 0.431314501425} H7 14 1
1 {} {0.616255185586 0.690758078155 0.257800957927} H8 15 1
1 {} {0.688000216649 0.716540759743 0.486444226115} H10 16 1
8 {} {0.25277330419 0.580791704692 0.556150009003} O 17 1
1 {} {0.20154323259 0.662721002885 0.546994585787} 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