iterations/neb0_image07_iter196.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 {} {0.472826427329 0.234573970692 0.495385936679} O1 1 1
14 {} {0.333242146351 0.219099129619 0.57995046908} Si1 2 1
14 {} {0.61549589366 0.302247674746 0.451081971691} Si2 3 1
8 {} {0.598385572212 0.463110915212 0.421426198561} O2 4 1
8 {} {0.306261334944 0.348828436277 0.678884654225} O3 5 1
14 {} {0.290947559478 0.510470781756 0.653578773738} Si3 6 1
14 {} {0.495456770452 0.590597727948 0.43594476873} Si4 7 1
1 {} {0.344876058274 0.0990580779436 0.66597057361} H1 8 1
1 {} {0.221575741227 0.210010094545 0.481815705231} H2 9 1
1 {} {0.662550768503 0.235217484215 0.327029813497} H3 10 1
1 {} {0.712862860085 0.287416952007 0.56248860404} H4 11 1
1 {} {0.147351801158 0.549512157437 0.653229665994} H5 12 1
1 {} {0.368373806139 0.581549505428 0.759735887502} H6 13 1
1 {} {0.34492682964 0.910250937299 0.499032271662} H7 14 1
1 {} {0.467608257074 0.64089939895 0.298912150264} H8 15 1
1 {} {0.558706045645 0.692184598403 0.524694357422} H10 16 1
8 {} {0.352626115983 0.545805261121 0.504579865421} O 17 1
1 {} {0.316011959834 0.851684713156 0.537316146802} 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