iterations/neb0_image06_iter136.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470921013853 0.229006034379 0.486969718844} O1 1 1
14 {} {0.329791714414 0.222962975271 0.571233147181} Si1 2 1
14 {} {0.60273704243 0.319907757471 0.449427070034} Si2 3 1
8 {} {0.569540156573 0.477709886373 0.427813482835} O2 4 1
8 {} {0.315834594101 0.353021037852 0.672445862169} O3 5 1
14 {} {0.287750004149 0.514341133335 0.663422680029} Si3 6 1
14 {} {0.489797667245 0.616936190012 0.447541101881} Si4 7 1
1 {} {0.331042526097 0.104254307197 0.659280397318} H1 8 1
1 {} {0.216519454236 0.221030779858 0.474343676031} H2 9 1
1 {} {0.657856608467 0.266953315532 0.322248993225} H3 10 1
1 {} {0.702240184304 0.315766437961 0.560569467635} H4 11 1
1 {} {0.141878338102 0.536532822661 0.685080618279} H5 12 1
1 {} {0.36671448827 0.584132444836 0.769279335676} H6 13 1
1 {} {0.389921678142 0.807252054357 0.483271448788} H7 14 1
1 {} {0.478717688427 0.673122525282 0.30871812018} H8 15 1
1 {} {0.588320257545 0.697236690937 0.524740661244} H10 16 1
8 {} {0.340474482674 0.569640684409 0.515545640593} O 17 1
1 {} {0.330028149663 0.762710801101 0.509126559319} 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