./iterations/neb0_image04_iter25.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.470008422379 0.227367097592 0.482523315808} O1 1 1
14 {} {0.332295383069 0.238428788348 0.573622701018} Si1 2 1
14 {} {0.596073911305 0.324332684152 0.436644064842} Si2 3 1
8 {} {0.539362541994 0.478052301837 0.390490006631} O2 4 1
8 {} {0.331984512267 0.375551025918 0.659850576042} O3 5 1
14 {} {0.276621050363 0.522962990048 0.702908681923} Si3 6 1
14 {} {0.509399316241 0.644895139661 0.403190636821} Si4 7 1
1 {} {0.32974235329 0.115316661101 0.661706849368} H1 8 1
1 {} {0.215200238437 0.234676469909 0.479202484991} H2 9 1
1 {} {0.665209475566 0.24298578303 0.328067514261} H3 10 1
1 {} {0.692913563874 0.330382621879 0.553077787634} H4 11 1
1 {} {0.132195794111 0.515549788944 0.707173125306} H5 12 1
1 {} {0.340513913039 0.555960201084 0.827272622294} H6 13 1
1 {} {0.382842461827 0.744161450922 0.393055472887} H7 14 1
1 {} {0.567465748218 0.690010851063 0.273868248979} H8 15 1
1 {} {0.583395958931 0.678577024123 0.526285309188} H10 16 1
8 {} {0.328011579088 0.631311213573 0.57829687012} O 17 1
1 {} {0.316849908758 0.721995868949 0.553821741594} 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