iterations/neb0_image05_iter215.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 {} {0.473786619541 0.246849882075 0.490358044486} O1 1 1
14 {} {0.327228205306 0.228052105072 0.561067824129} Si1 2 1
14 {} {0.603545575988 0.344532158897 0.468340920932} Si2 3 1
8 {} {0.563362989052 0.500524926941 0.50166873794} O2 4 1
8 {} {0.278017499895 0.364382359376 0.636688890848} O3 5 1
14 {} {0.242297158174 0.522580962696 0.662689408611} Si3 6 1
14 {} {0.565958208536 0.655487103133 0.444936331102} Si4 7 1
1 {} {0.338029476907 0.119180936211 0.660842621522} H1 8 1
1 {} {0.227092424825 0.188858483305 0.458192613882} H2 9 1
1 {} {0.645693903174 0.335669234512 0.326510194425} H3 10 1
1 {} {0.71087544318 0.303285699263 0.561634565528} H4 11 1
1 {} {0.134647702083 0.523075857631 0.766728306743} H5 12 1
1 {} {0.366103126291 0.595508599547 0.699704782348} H6 13 1
1 {} {0.484438948524 0.736118018287 0.541887958312} H7 14 1
1 {} {0.504364888223 0.661514738846 0.309041969127} H8 15 1
1 {} {0.705262361989 0.705931393104 0.437242653218} H10 16 1
8 {} {0.184317988456 0.600028496285 0.527709357838} O 17 1
1 {} {0.255063485443 0.640937052133 0.475812995082} 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