iterations/neb0_image05_iter242.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 {} {0.471831246373 0.256490772384 0.491422433509} O1 1 1
14 {} {0.325712337173 0.229103050851 0.55924575952} Si1 2 1
14 {} {0.607942129753 0.346353019408 0.471056814479} Si2 3 1
8 {} {0.57840697607 0.50416876533 0.514944126544} O2 4 1
8 {} {0.266562337955 0.364648553686 0.626623364826} O3 5 1
14 {} {0.2350754263 0.524248916259 0.659021036631} Si3 6 1
14 {} {0.574093983257 0.657517359869 0.453314961789} Si4 7 1
1 {} {0.338517239443 0.124777515118 0.665279287281} H1 8 1
1 {} {0.233816245548 0.181924341349 0.451292887485} H2 9 1
1 {} {0.647834768901 0.339529249517 0.32687049892} H3 10 1
1 {} {0.714207631609 0.290775325328 0.559100113561} H4 11 1
1 {} {0.136744970282 0.529385051859 0.771261463581} H5 12 1
1 {} {0.364805412798 0.592235780952 0.691545197071} H6 13 1
1 {} {0.50983923803 0.746538748874 0.554067974798} H7 14 1
1 {} {0.488044953973 0.652300926141 0.328582628136} H8 15 1
1 {} {0.713671998529 0.708323223585 0.420840273287} H10 16 1
8 {} {0.167767030083 0.603614366427 0.528685148356} O 17 1
1 {} {0.235212098825 0.620583104465 0.457904228589} 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