iterations/neb0_image08_iter135.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471398472852 0.221938543134 0.490726336485} O1 1 1
14 {} {0.33100795213 0.220639574502 0.577238035417} Si1 2 1
14 {} {0.605924445351 0.304405918397 0.446458295987} Si2 3 1
8 {} {0.57139582193 0.460035253178 0.403603492053} O2 4 1
8 {} {0.324396424055 0.349528893346 0.679290819441} O3 5 1
14 {} {0.300897161806 0.513217925584 0.674519500278} Si3 6 1
14 {} {0.508786750727 0.603302714026 0.453275434672} Si4 7 1
1 {} {0.328420492988 0.097454093915 0.659376052697} H1 8 1
1 {} {0.216623477897 0.225733516837 0.482203704763} H2 9 1
1 {} {0.662390148749 0.236144459908 0.327420327936} H3 10 1
1 {} {0.702019261892 0.308461541779 0.560591218671} H4 11 1
1 {} {0.155224512365 0.542591306219 0.662848202877} H5 12 1
1 {} {0.359241032225 0.569085077118 0.799852432116} H6 13 1
1 {} {0.330800913216 0.866844706663 0.431508418696} H7 14 1
1 {} {0.46987824334 0.677876439214 0.331225062752} H8 15 1
1 {} {0.608538143073 0.678122154346 0.535214386998} H10 16 1
8 {} {0.373275020757 0.579614833955 0.54417477701} O 17 1
1 {} {0.289867908116 0.817521009771 0.471531407216} 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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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
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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5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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