iterations/neb0_image07_iter104.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 {} {0.470017782449 0.222960661217 0.491622436276} O1 1 1
14 {} {0.330640751233 0.221957602029 0.578426989471} Si1 2 1
14 {} {0.600151065555 0.312414973776 0.445998555276} Si2 3 1
8 {} {0.561009388728 0.465160144217 0.40485615958} O2 4 1
8 {} {0.325164069262 0.352460126774 0.67863078386} O3 5 1
14 {} {0.298211907195 0.514540492416 0.675997463851} Si3 6 1
14 {} {0.503861409707 0.610885459625 0.451926406126} Si4 7 1
1 {} {0.32733975494 0.100408566553 0.662350067016} H1 8 1
1 {} {0.216010382971 0.229281257095 0.4847333834} H2 9 1
1 {} {0.658389459344 0.252748413127 0.323291034382} H3 10 1
1 {} {0.696186052327 0.31903276751 0.559983835815} H4 11 1
1 {} {0.151822011491 0.541941851376 0.66619746551} H5 12 1
1 {} {0.355680079647 0.57068852724 0.801415922118} H6 13 1
1 {} {0.350286700711 0.825661238002 0.429791487267} H7 14 1
1 {} {0.483538810955 0.681001643275 0.322780072044} H8 15 1
1 {} {0.602674002123 0.685392400101 0.53311448418} H10 16 1
8 {} {0.370469992024 0.582586927594 0.544892563632} O 17 1
1 {} {0.308632510956 0.783394894273 0.475048833744} 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