./iterations/neb0_image05_iter253.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470631994602 0.261470402806 0.490437016075} O1 1 1
14 {} {0.324514581734 0.229566902285 0.558687670516} Si1 2 1
14 {} {0.609569695888 0.347140032821 0.47250860731} Si2 3 1
8 {} {0.588475786956 0.503443245904 0.520113397731} O2 4 1
8 {} {0.258914095319 0.364900605889 0.621695279118} O3 5 1
14 {} {0.236201720271 0.524927052414 0.656964900802} Si3 6 1
14 {} {0.576715795621 0.656798709118 0.456721005343} Si4 7 1
1 {} {0.339546680378 0.129196361789 0.669086391448} H1 8 1
1 {} {0.237445922264 0.181050368021 0.447652508402} H2 9 1
1 {} {0.647885768475 0.341044437419 0.328341998073} H3 10 1
1 {} {0.715262495138 0.286188183842 0.557308433289} H4 11 1
1 {} {0.136236990955 0.535113949616 0.767486416061} H5 12 1
1 {} {0.364823849754 0.5889925837 0.696023175655} H6 13 1
1 {} {0.523214902767 0.751999501291 0.558392405195} H7 14 1
1 {} {0.479208242741 0.649884758066 0.341690144371} H8 15 1
1 {} {0.709879588696 0.707756773206 0.413821843929} H10 16 1
8 {} {0.168865188053 0.602926313531 0.527570170957} O 17 1
1 {} {0.222692744805 0.610117921802 0.446556826972} 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