iterations/neb0_image02_iter193.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.463126785263 0.255257902589 0.4907551839} O1 1 1
14 {} {0.328252958108 0.23976224332 0.582668053702} Si1 2 1
14 {} {0.585405862382 0.345174950754 0.429722047187} Si2 3 1
8 {} {0.529088894251 0.487175096808 0.369244405807} O2 4 1
8 {} {0.317641653841 0.360720195841 0.693142089903} O3 5 1
14 {} {0.250049473239 0.506741991133 0.727089783702} Si3 6 1
14 {} {0.553247112765 0.649899476949 0.361127814788} Si4 7 1
1 {} {0.338819359245 0.111012503156 0.655787717342} H1 8 1
1 {} {0.209363576603 0.241551922422 0.493274448708} H2 9 1
1 {} {0.645503366672 0.266839881249 0.318881473143} H3 10 1
1 {} {0.683995334802 0.374104089818 0.537894917485} H4 11 1
1 {} {0.10339836831 0.490829055002 0.742621640779} H5 12 1
1 {} {0.316752499176 0.555431455854 0.850990133341} H6 13 1
1 {} {0.426477777798 0.714925753659 0.31753071164} H7 14 1
1 {} {0.661586439432 0.681202888242 0.263596334405} H8 15 1
1 {} {0.590655809499 0.702589925412 0.496153546814} H10 16 1
8 {} {0.266441467252 0.613322546056 0.602135519138} O 17 1
1 {} {0.340279389771 0.675976068585 0.598442302581} 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