iterations/neb0_image08_iter230.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472096663666 0.225270448327 0.49322032459} O1 1 1
14 {} {0.330781558685 0.21880297637 0.57662052878} Si1 2 1
14 {} {0.61365727318 0.297065190154 0.451391437443} Si2 3 1
8 {} {0.592900541262 0.456681947553 0.417905055901} O2 4 1
8 {} {0.313134813964 0.349062600626 0.676268111775} O3 5 1
14 {} {0.300418891158 0.513359524933 0.668983240027} Si3 6 1
14 {} {0.511847711759 0.596418615309 0.448278606887} Si4 7 1
1 {} {0.33177221509 0.0969963889103 0.66147653349} H1 8 1
1 {} {0.219374694081 0.2158595357 0.47791038546} H2 9 1
1 {} {0.663258387984 0.23024236791 0.328315076949} H3 10 1
1 {} {0.710252592376 0.284386162671 0.564534476083} H4 11 1
1 {} {0.157426529873 0.553036606524 0.659198779119} H5 12 1
1 {} {0.365930695607 0.568485995275 0.790919486732} H6 13 1
1 {} {0.311043489502 0.909576188825 0.474533290767} H7 14 1
1 {} {0.4718265684 0.653676233854 0.317247533417} H8 15 1
1 {} {0.599746784089 0.686617806078 0.527334806592} H10 16 1
8 {} {0.37443010022 0.570164322122 0.533836448076} O 17 1
1 {} {0.270186751652 0.846814958309 0.463083597731} 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