./iterations/neb0_image06_iter176.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 {} {0.475801419747 0.224617156391 0.486129825905} O1 1 1
14 {} {0.331992039177 0.220962679413 0.566416623977} Si1 2 1
14 {} {0.608340741091 0.315769508082 0.453315927552} Si2 3 1
8 {} {0.569423923013 0.473747179499 0.449686079949} O2 4 1
8 {} {0.304872086755 0.354461243214 0.658479016409} O3 5 1
14 {} {0.285562957285 0.518243696143 0.657400182853} Si3 6 1
14 {} {0.483906516729 0.612303536819 0.445951618699} Si4 7 1
1 {} {0.338589072264 0.106532699543 0.660481512077} H1 8 1
1 {} {0.223935707934 0.205037805485 0.46371291214} H2 9 1
1 {} {0.662003580862 0.282869310025 0.319644863092} H3 10 1
1 {} {0.708113357682 0.294347616895 0.561155877065} H4 11 1
1 {} {0.143780525405 0.54367296874 0.696582484344} H5 12 1
1 {} {0.375481538362 0.582539342964 0.756343988709} H6 13 1
1 {} {0.392303456304 0.817710442291 0.519130146811} H7 14 1
1 {} {0.470593174706 0.656951933117 0.304256830069} H8 15 1
1 {} {0.579858374361 0.703785986107 0.516625180032} H10 16 1
8 {} {0.329518377144 0.576505672842 0.507877850369} O 17 1
1 {} {0.326009084195 0.782459049737 0.507867137063} 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