iterations/neb0_image09_iter99.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472121634294 0.21370822502 0.494732158106} O1 1 1
14 {} {0.335490607415 0.216239365258 0.586144511974} Si1 2 1
14 {} {0.603132400232 0.299416352379 0.444916155506} Si2 3 1
8 {} {0.561128505026 0.452205034655 0.400918862613} O2 4 1
8 {} {0.327986021207 0.353931196346 0.676136944053} O3 5 1
14 {} {0.296608938801 0.515368139909 0.670048536831} Si3 6 1
14 {} {0.507038615916 0.599166144705 0.450773412827} Si4 7 1
1 {} {0.339528472708 0.101717629991 0.680428515125} H1 8 1
1 {} {0.218191639306 0.209809771853 0.494539445103} H2 9 1
1 {} {0.659083398965 0.232386233477 0.325038021764} H3 10 1
1 {} {0.701985673146 0.306050309617 0.556413289468} H4 11 1
1 {} {0.150236969063 0.538106486817 0.656505786624} H5 12 1
1 {} {0.351386529624 0.575491199175 0.794573168203} H6 13 1
1 {} {0.323280400226 0.880310256796 0.413984523748} H7 14 1
1 {} {0.476475701106 0.678796668564 0.329669287636} H8 15 1
1 {} {0.611722144633 0.663685883268 0.535024355936} H10 16 1
8 {} {0.368855749092 0.584066729967 0.539134514595} O 17 1
1 {} {0.305832771147 0.852062333717 0.482076472588} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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