./iterations/neb0_image05_iter129.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 {} {0.470850380892 0.228125531262 0.48748406931} O1 1 1
14 {} {0.330628803846 0.223831437552 0.569849316979} Si1 2 1
14 {} {0.593550293932 0.333578255274 0.449988369617} Si2 3 1
8 {} {0.53695219329 0.486646199865 0.439408545428} O2 4 1
8 {} {0.31963110813 0.358997787618 0.664845266262} O3 5 1
14 {} {0.280677523648 0.515956510406 0.67749872192} Si3 6 1
14 {} {0.514104808667 0.652833291761 0.429933974671} Si4 7 1
1 {} {0.330545880798 0.10662005938 0.6607924261} H1 8 1
1 {} {0.214448390356 0.221510820546 0.476514092264} H2 9 1
1 {} {0.651103430809 0.278902453882 0.32357493389} H3 10 1
1 {} {0.697911331485 0.327547820898 0.557151105667} H4 11 1
1 {} {0.134996416798 0.531667311423 0.69791513292} H5 12 1
1 {} {0.362552012042 0.58030516005 0.783111999268} H6 13 1
1 {} {0.421099249224 0.77431036972 0.453093834984} H7 14 1
1 {} {0.521298649352 0.671432640596 0.281052080018} H8 15 1
1 {} {0.621399227681 0.696680945115 0.521005513063} H10 16 1
8 {} {0.315754003089 0.594152647992 0.532016259942} O 17 1
1 {} {0.29258235212 0.689418670701 0.52582236737} 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