iterations/neb0_image05_iter265.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 {} {0.470169683059 0.264101706692 0.489969853755} O1 1 1
14 {} {0.32390995215 0.233058914187 0.557896064839} Si1 2 1
14 {} {0.610853990909 0.345894006644 0.473171466877} Si2 3 1
8 {} {0.596849781884 0.502660183749 0.522651495229} O2 4 1
8 {} {0.253629679223 0.366356542201 0.621694636054} O3 5 1
14 {} {0.234779504434 0.52559151983 0.656049413853} Si3 6 1
14 {} {0.57755786116 0.655445398475 0.459860987437} Si4 7 1
1 {} {0.341210841778 0.135353103593 0.668725971323} H1 8 1
1 {} {0.240586919899 0.179596086896 0.446567396139} H2 9 1
1 {} {0.647396803315 0.343619640643 0.328869542612} H3 10 1
1 {} {0.716128281268 0.283564452431 0.557978497315} H4 11 1
1 {} {0.134676303769 0.538515389115 0.762848716175} H5 12 1
1 {} {0.365564759347 0.583257324567 0.701490763182} H6 13 1
1 {} {0.52969015465 0.751290820989 0.563012921947} H7 14 1
1 {} {0.476286628706 0.650153190695 0.349646294109} H8 15 1
1 {} {0.708086591615 0.705617475153 0.406297153893} H10 16 1
8 {} {0.169212360575 0.601664201453 0.525206838062} O 17 1
1 {} {0.213495955605 0.606778161755 0.439120183849} 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