iterations/neb0_image06_iter9.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 {} {0.469754517299 0.227242325656 0.48543894985} O1 1 1
14 {} {0.332070614276 0.226301599001 0.573101542858} Si1 2 1
14 {} {0.603643973365 0.307464315235 0.440458754364} Si2 3 1
8 {} {0.56193398879 0.458901737503 0.384017586371} O2 4 1
8 {} {0.330859888023 0.362804690013 0.671521321924} O3 5 1
14 {} {0.282084974246 0.517515351447 0.6940205219} Si3 6 1
14 {} {0.509544933363 0.612248347636 0.425911838698} Si4 7 1
1 {} {0.33259692886 0.113278005837 0.666248075535} H1 8 1
1 {} {0.216066701572 0.2299228498 0.482351045248} H2 9 1
1 {} {0.665664914786 0.235514348842 0.32698019724} H3 10 1
1 {} {0.696538576424 0.324425544131 0.555240633063} H4 11 1
1 {} {0.129945716303 0.513158078686 0.699835888376} H5 12 1
1 {} {0.344315600886 0.555230312816 0.827148641463} H6 13 1
1 {} {0.344525491765 0.809463594089 0.397080168035} H7 14 1
1 {} {0.539665998176 0.6902416856 0.291686928973} H8 15 1
1 {} {0.591279658343 0.67731649789 0.527426801534} H10 16 1
8 {} {0.336452604721 0.618691412022 0.566549490044} O 17 1
1 {} {0.323141062894 0.792797265685 0.516039616069} 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