./iterations/neb0_image03_iter237.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.45612666884 0.267029543958 0.489934464802} O1 1 1
14 {} {0.323532495505 0.238739228399 0.581932580539} Si1 2 1
14 {} {0.583334374444 0.350753056679 0.429894502456} Si2 3 1
8 {} {0.534191999544 0.494645764848 0.368445610267} O2 4 1
8 {} {0.3041122938 0.352067149847 0.698725871248} O3 5 1
14 {} {0.256102185586 0.504230324623 0.737998495293} Si3 6 1
14 {} {0.56417739153 0.656970404879 0.361608615043} Si4 7 1
1 {} {0.340812669786 0.107354947678 0.648799474522} H1 8 1
1 {} {0.206685203338 0.239752644253 0.489871996773} H2 9 1
1 {} {0.642724157359 0.26946192439 0.320074796238} H3 10 1
1 {} {0.683166433548 0.375780552292 0.538211659771} H4 11 1
1 {} {0.107443304676 0.508388206259 0.738917971541} H5 12 1
1 {} {0.316945833941 0.536850643767 0.869015618527} H6 13 1
1 {} {0.435624652055 0.724150068256 0.327860076815} H7 14 1
1 {} {0.664816134895 0.684700607329 0.255271353386} H8 15 1
1 {} {0.616938240535 0.707964602886 0.491314744656} H10 16 1
8 {} {0.312477151097 0.618227755239 0.631305807974} O 17 1
1 {} {0.260874994655 0.635450639675 0.551874022114} 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