iterations/neb0_image02_iter60.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 {} {0.468205404531 0.236185389861 0.475319745736} O1 1 1
14 {} {0.329503485161 0.244469551261 0.563232069831} Si1 2 1
14 {} {0.595885917591 0.330650310458 0.431957372409} Si2 3 1
8 {} {0.544220871517 0.474708185949 0.374199791977} O2 4 1
8 {} {0.33283183022 0.376354308744 0.661009405369} O3 5 1
14 {} {0.267013560426 0.516829869577 0.71545815335} Si3 6 1
14 {} {0.528199682736 0.63832681751 0.380243339631} Si4 7 1
1 {} {0.322940282297 0.122669033034 0.64883282986} H1 8 1
1 {} {0.212916719457 0.252448099982 0.470224732037} H2 9 1
1 {} {0.666633141181 0.259791697449 0.322453049739} H3 10 1
1 {} {0.683144401416 0.35425087949 0.550571906804} H4 11 1
1 {} {0.121319208346 0.497610475545 0.737284526608} H5 12 1
1 {} {0.340631370396 0.554610439805 0.839010105521} H6 13 1
1 {} {0.387092996034 0.6769495082 0.35770661228} H7 14 1
1 {} {0.614194686376 0.69843311612 0.274384617487} H8 15 1
1 {} {0.575610441486 0.690762674363 0.512744504516} H10 16 1
8 {} {0.281574857792 0.636175865721 0.600614776433} O 17 1
1 {} {0.338167277436 0.711291734437 0.615810448566} 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