iterations/neb0_image06_iter282.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.46890644057 0.256172063705 0.486751917488} O1 1 1
14 {} {0.322546397195 0.226628019918 0.557319288897} Si1 2 1
14 {} {0.608483182614 0.341762864707 0.47415918033} Si2 3 1
8 {} {0.587924067544 0.493175282282 0.53982769742} O2 4 1
8 {} {0.24670671557 0.35394411652 0.630012930771} O3 5 1
14 {} {0.271596163207 0.513720023029 0.659051424746} Si3 6 1
14 {} {0.494110733068 0.610703416345 0.467462633029} Si4 7 1
1 {} {0.342883107163 0.127639391481 0.66587687713} H1 8 1
1 {} {0.239105034051 0.172938780115 0.446116187759} H2 9 1
1 {} {0.636854749967 0.359659973797 0.32945266594} H3 10 1
1 {} {0.718540696422 0.274551214711 0.548142368118} H4 11 1
1 {} {0.145779136858 0.571267513298 0.714998826645} H5 12 1
1 {} {0.379311893363 0.548070519775 0.754918569669} H6 13 1
1 {} {0.40806660719 0.780124404232 0.487136717092} H7 14 1
1 {} {0.471388495282 0.604898169004 0.322811350845} H8 15 1
1 {} {0.596507918015 0.723529749604 0.47087702762} H10 16 1
8 {} {0.329841997038 0.572077944487 0.517197542185} O 17 1
1 {} {0.341532766956 0.74165476071 0.458945176011} 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
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2 0 0 0
14 6 0 0
16 5 0 2
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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