iterations/neb0_image02_iter9.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 {} {0.467999628781 0.239772460241 0.475022349137} O1 1 1
14 {} {0.328621997973 0.244420322145 0.559591835646} Si1 2 1
14 {} {0.602586480831 0.324208432248 0.434048516469} Si2 3 1
8 {} {0.560503741228 0.472651320005 0.370017220183} O2 4 1
8 {} {0.331620860399 0.37613108857 0.660779727351} O3 5 1
14 {} {0.270968134432 0.517611184472 0.719897326483} Si3 6 1
14 {} {0.516285534452 0.635884918273 0.379076109208} Si4 7 1
1 {} {0.320403312329 0.123660697158 0.644871000854} H1 8 1
1 {} {0.214174906112 0.256340608201 0.466245312163} H2 9 1
1 {} {0.673124359996 0.245450423506 0.329200974944} H3 10 1
1 {} {0.687798973369 0.344013617569 0.554845007367} H4 11 1
1 {} {0.122880672319 0.49351332237 0.736423682571} H5 12 1
1 {} {0.342595512965 0.536790023536 0.849478731321} H6 13 1
1 {} {0.383923995193 0.708587649873 0.346945020231} H7 14 1
1 {} {0.599978374143 0.701595988298 0.274756166798} H8 15 1
1 {} {0.566563037827 0.686073208422 0.512384096915} H10 16 1
8 {} {0.285129304845 0.634878133906 0.618345419926} O 17 1
1 {} {0.334927315037 0.730934561941 0.59912949653} 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