./iterations/neb0_image06_iter297.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 {} {0.461415765416 0.279317089892 0.490324501347} O1 1 1
14 {} {0.318372527718 0.230980244693 0.553899191256} Si1 2 1
14 {} {0.608001154932 0.35402271331 0.479464267519} Si2 3 1
8 {} {0.592720319083 0.498869204889 0.554609889519} O2 4 1
8 {} {0.230094553607 0.351487607973 0.626248389677} O3 5 1
14 {} {0.26615125438 0.507396393784 0.666279118281} Si3 6 1
14 {} {0.497379623597 0.609187236054 0.474911668064} Si4 7 1
1 {} {0.346041388099 0.135870802744 0.663341524064} H1 8 1
1 {} {0.240287874577 0.172050115714 0.44184801461} H2 9 1
1 {} {0.63355798309 0.385341982353 0.335632348295} H3 10 1
1 {} {0.714974337366 0.273662086973 0.543127455015} H4 11 1
1 {} {0.141871132237 0.577435780247 0.717412374107} H5 12 1
1 {} {0.375577953779 0.520144180431 0.765791022839} H6 13 1
1 {} {0.417402629544 0.767425764171 0.456317921011} H7 14 1
1 {} {0.475367502808 0.586159071774 0.332379875973} H8 15 1
1 {} {0.602000013938 0.720468936536 0.469428247435} H10 16 1
8 {} {0.335551819204 0.576144469447 0.53322816786} O 17 1
1 {} {0.353318359531 0.726554636609 0.426814521715} 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
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
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