iterations/neb0_image05_iter258.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 {} {0.470964979102 0.260552491609 0.489689286698} O1 1 1
14 {} {0.324634359024 0.230899413321 0.558325496601} Si1 2 1
14 {} {0.609022462213 0.346148191824 0.471989301062} Si2 3 1
8 {} {0.588207313479 0.502594078309 0.518561049399} O2 4 1
8 {} {0.259201511551 0.365591514481 0.623213639919} O3 5 1
14 {} {0.235862737657 0.524922004655 0.657803181631} Si3 6 1
14 {} {0.576335252805 0.654603445979 0.456359525947} Si4 7 1
1 {} {0.339979052837 0.130698471326 0.668473801736} H1 8 1
1 {} {0.23741694721 0.181438453617 0.448184228121} H2 9 1
1 {} {0.647609381589 0.341388946989 0.328538634854} H3 10 1
1 {} {0.714777609794 0.287911665161 0.557633299505} H4 11 1
1 {} {0.135521764291 0.534839292576 0.766450408339} H5 12 1
1 {} {0.365009022148 0.588021989702 0.699278613162} H6 13 1
1 {} {0.520459590299 0.749714082049 0.557790837201} H7 14 1
1 {} {0.481197421417 0.651492217678 0.341419834782} H8 15 1
1 {} {0.709049414682 0.707144590975 0.414102567954} H10 16 1
8 {} {0.171125830957 0.602126864608 0.527046998347} O 17 1
1 {} {0.22371139255 0.612430383617 0.446197486178} 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