iterations/neb0_image08_iter164.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470881514465 0.228472491055 0.492835100786} O1 1 1
14 {} {0.330220398729 0.220438251607 0.576912014595} Si1 2 1
14 {} {0.611601904814 0.30087287735 0.44983930833} Si2 3 1
8 {} {0.586460970911 0.458839372618 0.410170424057} O2 4 1
8 {} {0.315954507583 0.348082769111 0.679979574788} O3 5 1
14 {} {0.300940436023 0.512247502953 0.673194050796} Si3 6 1
14 {} {0.511674709676 0.599845662498 0.450232205159} Si4 7 1
1 {} {0.329746471067 0.0963069745563 0.658389627905} H1 8 1
1 {} {0.218242312649 0.222733597869 0.478694531542} H2 9 1
1 {} {0.662805460512 0.23029051452 0.329476287195} H3 10 1
1 {} {0.707849327971 0.29203208486 0.563886021044} H4 11 1
1 {} {0.157141529025 0.548559148769 0.660174198363} H5 12 1
1 {} {0.363891775577 0.568347911139 0.796223421057} H6 13 1
1 {} {0.318579540735 0.891629359767 0.462245741791} H7 14 1
1 {} {0.466512455198 0.668729541959 0.326237061418} H8 15 1
1 {} {0.607168415266 0.683108123438 0.529272249318} H10 16 1
8 {} {0.376701688796 0.570190909408 0.539554441204} O 17 1
1 {} {0.273712829914 0.831790783028 0.453741541985} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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