./iterations/neb0_image06_iter97.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 {} {0.47086959098 0.223430595532 0.49065760713} O1 1 1
14 {} {0.330397794259 0.22303645691 0.578202747941} Si1 2 1
14 {} {0.595354910853 0.320913749103 0.445966640927} Si2 3 1
8 {} {0.549002762394 0.471987125541 0.408023490562} O2 4 1
8 {} {0.325262646985 0.352904869185 0.679374242789} O3 5 1
14 {} {0.294414782512 0.514884870395 0.676651421809} Si3 6 1
14 {} {0.496441948999 0.621900876474 0.446748075356} Si4 7 1
1 {} {0.327182256151 0.099477810396 0.661314407428} H1 8 1
1 {} {0.214717066508 0.230260477755 0.484039162059} H2 9 1
1 {} {0.653812987528 0.267746970004 0.320759206403} H3 10 1
1 {} {0.69206319362 0.327172456251 0.559443317779} H4 11 1
1 {} {0.147591756877 0.540285012832 0.66943546757} H5 12 1
1 {} {0.355937056268 0.572520344801 0.799271057057} H6 13 1
1 {} {0.36725187753 0.796967833852 0.439711601022} H7 14 1
1 {} {0.503785188832 0.678592017532 0.306482439751} H8 15 1
1 {} {0.594527389808 0.695368045638 0.531711406859} H10 16 1
8 {} {0.36164860201 0.583740452988 0.542578569921} O 17 1
1 {} {0.329824286236 0.751328007147 0.490687139329} 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