./iterations/neb0_image04_iter71.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 {} {0.467754257405 0.229699937753 0.483940950939} O1 1 1
14 {} {0.330636424968 0.231845269471 0.574284591796} Si1 2 1
14 {} {0.586446216124 0.334193617196 0.438142654552} Si2 3 1
8 {} {0.520280837235 0.480256167252 0.402934714891} O2 4 1
8 {} {0.326021767215 0.36309806022 0.674115351506} O3 5 1
14 {} {0.278803781145 0.517335716228 0.700749184396} Si3 6 1
14 {} {0.522328390578 0.645761532372 0.404898805275} Si4 7 1
1 {} {0.329928883265 0.113780259775 0.664545050688} H1 8 1
1 {} {0.213289522551 0.234157502649 0.482519719471} H2 9 1
1 {} {0.651662146689 0.277242718197 0.317492340631} H3 10 1
1 {} {0.682483263074 0.350146574593 0.550202140479} H4 11 1
1 {} {0.130045990311 0.528381641783 0.700991796299} H5 12 1
1 {} {0.338142868353 0.562352919085 0.829456833422} H6 13 1
1 {} {0.396400901077 0.727756682985 0.392813835281} H7 14 1
1 {} {0.585791791652 0.683122663121 0.275530593191} H8 15 1
1 {} {0.604334240537 0.69408033842 0.519338452091} H10 16 1
8 {} {0.340675823701 0.607509817803 0.57686825092} O 17 1
1 {} {0.305059020723 0.691796543086 0.542232723055} 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