iterations/neb0_image07_iter70.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470542169341 0.220167998733 0.485577654993} O1 1 1
14 {} {0.332237859883 0.224681503517 0.574615420822} Si1 2 1
14 {} {0.599129289032 0.312553318283 0.443640976589} Si2 3 1
8 {} {0.550878614694 0.463380431291 0.40348761051} O2 4 1
8 {} {0.330446450973 0.354840529483 0.675197552145} O3 5 1
14 {} {0.298469805773 0.515771468205 0.679918014729} Si3 6 1
14 {} {0.501833340911 0.610075180305 0.455253191518} Si4 7 1
1 {} {0.326844415878 0.103197692111 0.659195704493} H1 8 1
1 {} {0.217071061089 0.233163905964 0.481260589858} H2 9 1
1 {} {0.662114412325 0.255277921546 0.322655245296} H3 10 1
1 {} {0.692012239879 0.325864503567 0.558617654761} H4 11 1
1 {} {0.152234102743 0.538659282438 0.671255209014} H5 12 1
1 {} {0.354846258279 0.570829160444 0.805558845371} H6 13 1
1 {} {0.349555933215 0.815767552862 0.421098422964} H7 14 1
1 {} {0.481871933435 0.684382162753 0.328462661528} H8 15 1
1 {} {0.603277515923 0.679854489432 0.539470338517} H10 16 1
8 {} {0.368362516083 0.588033176425 0.54978179221} O 17 1
1 {} {0.318358219607 0.776017688313 0.476011073831} 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