iterations/neb0_image05_iter166.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 {} {0.474433193193 0.234550999747 0.487060425054} O1 1 1
14 {} {0.330755579962 0.227219101636 0.564649860727} Si1 2 1
14 {} {0.595695133642 0.341658060159 0.461568939429} Si2 3 1
8 {} {0.538605975648 0.49459294971 0.481758241642} O2 4 1
8 {} {0.298830075624 0.362272534368 0.650053851967} O3 5 1
14 {} {0.256328551413 0.520205073375 0.664600671341} Si3 6 1
14 {} {0.550957958641 0.652528437321 0.436480315662} Si4 7 1
1 {} {0.33799460597 0.116967162472 0.662622261918} H1 8 1
1 {} {0.225598756053 0.203153961686 0.462041855445} H2 9 1
1 {} {0.648054131648 0.322613456167 0.323305762417} H3 10 1
1 {} {0.701289889702 0.314603549748 0.561795537662} H4 11 1
1 {} {0.134867407337 0.527223653333 0.748496866823} H5 12 1
1 {} {0.366486529561 0.589631594573 0.73367302462} H6 13 1
1 {} {0.452401049521 0.730695999275 0.516135426104} H7 14 1
1 {} {0.516821007425 0.664706561958 0.292976601486} H8 15 1
1 {} {0.689323590035 0.705807907779 0.467810286148} H10 16 1
8 {} {0.224428661677 0.58913964222 0.516139023904} O 17 1
1 {} {0.267213919194 0.674947286488 0.49988917136} 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