iterations/neb0_image07_iter182.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.47177857573 0.239076917345 0.494565647002} O1 1 1
14 {} {0.332521390985 0.221449098983 0.579327079778} Si1 2 1
14 {} {0.616056360383 0.303229027445 0.451182068479} Si2 3 1
8 {} {0.598988738813 0.464060756287 0.419632888735} O2 4 1
8 {} {0.304498572194 0.34820304608 0.681748220124} O3 5 1
14 {} {0.290924906541 0.510098861649 0.654758843281} Si3 6 1
14 {} {0.496129959407 0.59061803193 0.437027582459} Si4 7 1
1 {} {0.345312779816 0.100088369676 0.663160520667} H1 8 1
1 {} {0.221832267118 0.212374113339 0.479816101007} H2 9 1
1 {} {0.664268576922 0.236208737456 0.32766597183} H3 10 1
1 {} {0.712354034145 0.284197731722 0.562941251983} H4 11 1
1 {} {0.147698236711 0.549092870101 0.655908302364} H5 12 1
1 {} {0.368762256693 0.583673252198 0.758077833049} H6 13 1
1 {} {0.346553872413 0.904099823259 0.497383478681} H7 14 1
1 {} {0.462396529634 0.645515485016 0.303556863461} H8 15 1
1 {} {0.559703224961 0.691485978005 0.525838912184} H10 16 1
8 {} {0.353258971316 0.543899114605 0.50567277127} O 17 1
1 {} {0.317046714166 0.845146599772 0.53279348535} 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