iterations/neb0_image09_iter238.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 {} {0.472367585379 0.215107791831 0.494061932257} O1 1 1
14 {} {0.333364463184 0.214989433015 0.58167791598} Si1 2 1
14 {} {0.606447263576 0.29621365638 0.445341772884} Si2 3 1
8 {} {0.570177142025 0.451334304713 0.404450700029} O2 4 1
8 {} {0.322542685907 0.349546592085 0.675923942945} O3 5 1
14 {} {0.300414451568 0.51263290955 0.672684366487} Si3 6 1
14 {} {0.511674861547 0.596999230657 0.452469951122} Si4 7 1
1 {} {0.334257955326 0.0968585089611 0.671561112913} H1 8 1
1 {} {0.218917214046 0.211083403187 0.486335932399} H2 9 1
1 {} {0.659049363313 0.228532921877 0.324353999092} H3 10 1
1 {} {0.705729168395 0.296881599367 0.55644592733} H4 11 1
1 {} {0.15558668767 0.543286040407 0.659419735055} H5 12 1
1 {} {0.358066479024 0.567330540239 0.798367018577} H6 13 1
1 {} {0.316004516769 0.914319842769 0.432362683752} H7 14 1
1 {} {0.474725920045 0.673265451857 0.330788138882} H8 15 1
1 {} {0.614835266588 0.666667611908 0.534212794639} H10 16 1
8 {} {0.375462293568 0.579385060719 0.542934303246} O 17 1
1 {} {0.280462806063 0.858083048016 0.467665406918} 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
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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