iterations/neb0_image03_iter185.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.459626706946 0.262395772743 0.493485927397} O1 1 1
14 {} {0.324972046774 0.236320416322 0.581963250831} Si1 2 1
14 {} {0.583347694898 0.349677281781 0.431613785612} Si2 3 1
8 {} {0.530052737268 0.493228890228 0.372345957876} O2 4 1
8 {} {0.307514072046 0.349887257568 0.69970116138} O3 5 1
14 {} {0.261679573573 0.504041595061 0.732161683052} Si3 6 1
14 {} {0.558710157508 0.655376624314 0.363750801265} Si4 7 1
1 {} {0.338587155218 0.104395061475 0.648523352663} H1 8 1
1 {} {0.206042026985 0.239641314877 0.492227690609} H2 9 1
1 {} {0.639867606035 0.270593383302 0.319390015877} H3 10 1
1 {} {0.68345812488 0.375179322095 0.539182442075} H4 11 1
1 {} {0.112986034101 0.514928644487 0.729472863139} H5 12 1
1 {} {0.318711504876 0.536601645571 0.864893762765} H6 13 1
1 {} {0.432362690553 0.725795981395 0.325931198846} H7 14 1
1 {} {0.661170589637 0.681210769606 0.257564902601} H8 15 1
1 {} {0.60828572572 0.70788465868 0.494393948324} H10 16 1
8 {} {0.323713684198 0.609527874409 0.62043914319} O 17 1
1 {} {0.258998075423 0.655831561465 0.564015906286} 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