iterations/neb0_image02_iter293.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.453279958254 0.26822735082 0.483333119796} O1 1 1
14 {} {0.325320788218 0.242209868776 0.581257677129} Si1 2 1
14 {} {0.584871334588 0.348421623274 0.427723273197} Si2 3 1
8 {} {0.540484816351 0.493060552575 0.365603765109} O2 4 1
8 {} {0.310984508018 0.358752015587 0.694150129301} O3 5 1
14 {} {0.240251161275 0.502695367989 0.73400206499} Si3 6 1
14 {} {0.565498449568 0.655900759337 0.357072933277} Si4 7 1
1 {} {0.347448561451 0.112912161549 0.650716048884} H1 8 1
1 {} {0.203537583785 0.238413931804 0.495766541951} H2 9 1
1 {} {0.644296920361 0.267571846289 0.318943478032} H3 10 1
1 {} {0.681204665118 0.371782399841 0.538855688417} H4 11 1
1 {} {0.0952164830529 0.483318495547 0.756054843048} H5 12 1
1 {} {0.310538556992 0.551193790265 0.85532406447} H6 13 1
1 {} {0.437069189708 0.720426196695 0.316675930972} H7 14 1
1 {} {0.672213290525 0.688165610081 0.257648941728} H8 15 1
1 {} {0.604786681908 0.707814555551 0.492351421481} H10 16 1
8 {} {0.252421107686 0.612485289943 0.611130748698} O 17 1
1 {} {0.340662442631 0.649166469275 0.594446936275} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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