./iterations/neb0_image08_iter160.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 {} {0.470686109933 0.22855530758 0.493179830194} O1 1 1
14 {} {0.33001057954 0.220085236908 0.576777938076} Si1 2 1
14 {} {0.61140137822 0.301444073082 0.449704750015} Si2 3 1
8 {} {0.586408115545 0.45904729971 0.409895023555} O2 4 1
8 {} {0.316585296918 0.34831507862 0.680127941644} O3 5 1
14 {} {0.301145774913 0.511766448664 0.673490637076} Si3 6 1
14 {} {0.510930547023 0.600245663175 0.450906032639} Si4 7 1
1 {} {0.32929775621 0.0957649180368 0.657749408393} H1 8 1
1 {} {0.218326019148 0.223186291292 0.478631635739} H2 9 1
1 {} {0.662876717237 0.230340724869 0.329675738043} H3 10 1
1 {} {0.707582363228 0.292256941229 0.563852687442} H4 11 1
1 {} {0.157165018177 0.548638246828 0.659684394863} H5 12 1
1 {} {0.364334302226 0.568334114472 0.796470610256} H6 13 1
1 {} {0.318769666026 0.890255171779 0.462761808334} H7 14 1
1 {} {0.46534471606 0.669708955358 0.327131695147} H8 15 1
1 {} {0.60739428339 0.682698981101 0.529564903735} H10 16 1
8 {} {0.377693888238 0.570781315249 0.539254584844} O 17 1
1 {} {0.274133713818 0.831093109142 0.452198182971} 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