iterations/neb0_image04_iter46.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 {} {0.468765594148 0.228427238499 0.482181238963} O1 1 1
14 {} {0.332666389282 0.235712172777 0.571273644929} Si1 2 1
14 {} {0.589419765058 0.331149330451 0.43843281554} Si2 3 1
8 {} {0.522241623363 0.475628911591 0.399656178472} O2 4 1
8 {} {0.332957144497 0.37113852585 0.66158741777} O3 5 1
14 {} {0.276937926269 0.519805961247 0.701596249017} Si3 6 1
14 {} {0.521408464634 0.643213973509 0.404826019367} Si4 7 1
1 {} {0.331363483678 0.119702594735 0.664527927796} H1 8 1
1 {} {0.213561008106 0.233029669671 0.481043514973} H2 9 1
1 {} {0.654832784283 0.265075541075 0.324731902469} H3 10 1
1 {} {0.686985078587 0.342407016316 0.548663806515} H4 11 1
1 {} {0.128577667112 0.526259815745 0.703351277103} H5 12 1
1 {} {0.33964495226 0.564222352196 0.827781980849} H6 13 1
1 {} {0.394962598388 0.724318134449 0.401282736617} H7 14 1
1 {} {0.574296032013 0.686988774884 0.272007117175} H8 15 1
1 {} {0.594424544602 0.689850865272 0.525752197931} H10 16 1
8 {} {0.336094030487 0.613047161101 0.576737709744} O 17 1
1 {} {0.310947042463 0.702539928804 0.545624277269} 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