./iterations/neb0_image02_iter66.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468312601712 0.236349703437 0.475811438793} O1 1 1
14 {} {0.329664413672 0.243956894526 0.563665620218} Si1 2 1
14 {} {0.595732031172 0.330695016742 0.431719868593} Si2 3 1
8 {} {0.54344142586 0.474639131674 0.374425835735} O2 4 1
8 {} {0.331535813543 0.375844815437 0.661661985277} O3 5 1
14 {} {0.266807194818 0.517381088727 0.714587759676} Si3 6 1
14 {} {0.529029657118 0.638458858565 0.380293106592} Si4 7 1
1 {} {0.323127638872 0.12265849641 0.649467819273} H1 8 1
1 {} {0.213128155326 0.251938829576 0.471178671196} H2 9 1
1 {} {0.666330015655 0.260307491309 0.321762348359} H3 10 1
1 {} {0.682718288863 0.354617055501 0.550382456572} H4 11 1
1 {} {0.121255589504 0.496896378626 0.737102629738} H5 12 1
1 {} {0.340283427358 0.556340699581 0.838519630336} H6 13 1
1 {} {0.387053586268 0.677517847334 0.357325244538} H7 14 1
1 {} {0.615048508273 0.697911405033 0.274428424442} H8 15 1
1 {} {0.576793315573 0.691130449793 0.512444797137} H10 16 1
8 {} {0.280436440827 0.634345727285 0.600177069253} O 17 1
1 {} {0.339388020971 0.711528076714 0.616103276721} 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