iterations/neb0_image08_iter189.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 {} {0.471121699246 0.227799189115 0.493258215853} O1 1 1
14 {} {0.329971304152 0.220358517387 0.576583052154} Si1 2 1
14 {} {0.612078871455 0.299332178266 0.450041364175} Si2 3 1
8 {} {0.589627429694 0.457785185989 0.413034330172} O2 4 1
8 {} {0.313568881413 0.348012043579 0.679331456658} O3 5 1
14 {} {0.300595956407 0.512116478687 0.671728358684} Si3 6 1
14 {} {0.512634253307 0.597705620236 0.44984296019} Si4 7 1
1 {} {0.331108641667 0.0973849926708 0.659360553547} H1 8 1
1 {} {0.218348055315 0.22129765451 0.477930057396} H2 9 1
1 {} {0.663584616106 0.231267373571 0.328624311027} H3 10 1
1 {} {0.708097887144 0.290419296747 0.563460350835} H4 11 1
1 {} {0.157194729428 0.550091679836 0.661938842446} H5 12 1
1 {} {0.363413631938 0.567940122877 0.794238760235} H6 13 1
1 {} {0.31433016701 0.898166757946 0.46986068728} H7 14 1
1 {} {0.470660297489 0.661553990206 0.323015301847} H8 15 1
1 {} {0.604664894192 0.684750446238 0.527611957643} H10 16 1
8 {} {0.37728654673 0.568266608959 0.538120272685} O 17 1
1 {} {0.271798399415 0.838269729596 0.453076952377} 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 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
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
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