./iterations/neb0_image06_iter287.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 {} {0.46704839496 0.262942587803 0.487792729836} O1 1 1
14 {} {0.321396792224 0.228771242026 0.556383087508} Si1 2 1
14 {} {0.607145246054 0.346378165636 0.475234835084} Si2 3 1
8 {} {0.5883459374 0.494325257804 0.544805435002} O2 4 1
8 {} {0.239324707063 0.352701394791 0.629889239068} O3 5 1
14 {} {0.26992189307 0.512642101853 0.662165361547} Si3 6 1
14 {} {0.495826028186 0.610866083637 0.471199187106} Si4 7 1
1 {} {0.343450396823 0.13165852821 0.665697363491} H1 8 1
1 {} {0.241013708882 0.171729905988 0.445186544717} H2 9 1
1 {} {0.634963589418 0.370981946203 0.330870959506} H3 10 1
1 {} {0.716345891671 0.274770051189 0.545861175328} H4 11 1
1 {} {0.145228197949 0.574013517862 0.716534853093} H5 12 1
1 {} {0.376705933927 0.539569241756 0.760148953358} H6 13 1
1 {} {0.410261514267 0.773157622922 0.473233819763} H7 14 1
1 {} {0.475219627213 0.597481794953 0.325563878948} H8 15 1
1 {} {0.598796176232 0.722366294704 0.469042904244} H10 16 1
8 {} {0.333171057745 0.573814545739 0.524413704599} O 17 1
1 {} {0.345921039628 0.734347973496 0.447034387742} 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