iterations/neb0_image09_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_image09

@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 {} {0.471897579572 0.217073997313 0.493922528472} O1 1 1
14 {} {0.333892100266 0.215589950787 0.582840380247} Si1 2 1
14 {} {0.605512617669 0.298564734322 0.44459162867} Si2 3 1
8 {} {0.567043986561 0.452380643529 0.400455029967} O2 4 1
8 {} {0.323530274324 0.349593922025 0.678034341556} O3 5 1
14 {} {0.299045875252 0.512199184393 0.672899600707} Si3 6 1
14 {} {0.509914747887 0.597831073515 0.451764661885} Si4 7 1
1 {} {0.336017375166 0.0968314974136 0.671937086661} H1 8 1
1 {} {0.218457877482 0.212982808972 0.488812531785} H2 9 1
1 {} {0.659455546983 0.229008636469 0.325094760342} H3 10 1
1 {} {0.704471439544 0.302603772567 0.55624902334} H4 11 1
1 {} {0.153826003407 0.540440232466 0.658541314744} H5 12 1
1 {} {0.355019819296 0.568620207993 0.798656282435} H6 13 1
1 {} {0.319461927102 0.901864905599 0.424265134854} H7 14 1
1 {} {0.473791765935 0.677350620833 0.331556562499} H8 15 1
1 {} {0.614517263697 0.665082483633 0.534032376085} H10 16 1
8 {} {0.373947255161 0.57874486776 0.542420509375} O 17 1
1 {} {0.290282651551 0.855754379449 0.474983984817} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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