./iterations/neb0_image03_iter177.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 {} {0.460123132971 0.261608089268 0.493493644652} O1 1 1
14 {} {0.32495353901 0.235860114878 0.58233261074} Si1 2 1
14 {} {0.583322504022 0.350027391963 0.431787508543} Si2 3 1
8 {} {0.529759546254 0.493315077373 0.372789608121} O2 4 1
8 {} {0.307870639369 0.349723971213 0.700399628849} O3 5 1
14 {} {0.262262311613 0.504198553466 0.731548861861} Si3 6 1
14 {} {0.557808362416 0.655306370056 0.363698959675} Si4 7 1
1 {} {0.338509686772 0.103084389274 0.648508076297} H1 8 1
1 {} {0.205739442975 0.239658886951 0.491960994402} H2 9 1
1 {} {0.639644875539 0.271488453133 0.319621676444} H3 10 1
1 {} {0.683464114189 0.374946377193 0.538872420143} H4 11 1
1 {} {0.112874958497 0.515702687942 0.728116147145} H5 12 1
1 {} {0.319537411143 0.536718646701 0.86501664227} H6 13 1
1 {} {0.432259761744 0.724880786163 0.32630562787} H7 14 1
1 {} {0.660571538203 0.68102198872 0.259039069624} H8 15 1
1 {} {0.608023082484 0.707635920802 0.493741997922} H10 16 1
8 {} {0.324253607528 0.609628591702 0.618606917198} O 17 1
1 {} {0.259107691181 0.657711760517 0.565217406563} 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