./iterations/neb0_image05_iter201.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474328372824 0.244077766039 0.489503877103} O1 1 1
14 {} {0.3269730484 0.226932294708 0.562439191991} Si1 2 1
14 {} {0.601552452293 0.343537515484 0.467552228864} Si2 3 1
8 {} {0.558692539087 0.498906195371 0.498042602383} O2 4 1
8 {} {0.280874225994 0.362689190392 0.640170605055} O3 5 1
14 {} {0.244460248179 0.522160254647 0.662649676432} Si3 6 1
14 {} {0.563691176082 0.654626899182 0.442902625303} Si4 7 1
1 {} {0.338379315086 0.116494438071 0.660974381266} H1 8 1
1 {} {0.225727039079 0.192400164577 0.459451061907} H2 9 1
1 {} {0.64465420285 0.33632815568 0.32559136046} H3 10 1
1 {} {0.710303125021 0.306722859124 0.563934664331} H4 11 1
1 {} {0.134204527702 0.522255907283 0.763514420748} H5 12 1
1 {} {0.369143375466 0.596866189248 0.70463940897} H6 13 1
1 {} {0.476593638781 0.731671099183 0.538555600479} H7 14 1
1 {} {0.509652078158 0.664687765878 0.302445264076} H8 15 1
1 {} {0.702982871244 0.705590204255 0.441263254475} H10 16 1
8 {} {0.188683930334 0.596995525459 0.52475364019} O 17 1
1 {} {0.25918984221 0.649575562288 0.482674305732} 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