./iterations/neb0_image09_iter208.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472066370512 0.21569899605 0.493881240848} O1 1 1
14 {} {0.333285617221 0.215034152652 0.581738593475} Si1 2 1
14 {} {0.605933817303 0.297279914973 0.444749309081} Si2 3 1
8 {} {0.569468884366 0.451854360545 0.402314237133} O2 4 1
8 {} {0.32289776434 0.349201037027 0.676883332753} O3 5 1
14 {} {0.299690255069 0.512044296237 0.673213604609} Si3 6 1
14 {} {0.511236605303 0.597212352452 0.452623559694} Si4 7 1
1 {} {0.334930280281 0.0966922974139 0.67129231112} H1 8 1
1 {} {0.218376193228 0.212231798051 0.486845540575} H2 9 1
1 {} {0.659359340244 0.228974899568 0.324310180686} H3 10 1
1 {} {0.705089240751 0.300495178216 0.556070959381} H4 11 1
1 {} {0.154565334138 0.542014340271 0.659358022075} H5 12 1
1 {} {0.35694778965 0.568146920117 0.798590982156} H6 13 1
1 {} {0.317620230388 0.909554618406 0.428913741029} H7 14 1
1 {} {0.47406785317 0.674396450501 0.33150485828} H8 15 1
1 {} {0.615033877763 0.666385023942 0.534448172857} H10 16 1
8 {} {0.375304474114 0.57834023974 0.543348099487} O 17 1
1 {} {0.284212177202 0.856961072732 0.470970910565} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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