./iterations/neb0_image02_iter70.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 {} {0.468345823573 0.236552308997 0.476119504201} O1 1 1
14 {} {0.329682048935 0.243855962113 0.56400511726} Si1 2 1
14 {} {0.595612605042 0.33067405313 0.431644346786} Si2 3 1
8 {} {0.54297215572 0.474687406373 0.374494540549} O2 4 1
8 {} {0.33097233709 0.375512486406 0.661927763155} O3 5 1
14 {} {0.266690605003 0.517156048415 0.714761722238} Si3 6 1
14 {} {0.529443738452 0.638753154714 0.380175256978} Si4 7 1
1 {} {0.323220644645 0.122610354555 0.649636724702} H1 8 1
1 {} {0.213365645921 0.251638503241 0.471602895878} H2 9 1
1 {} {0.666308228254 0.26023461894 0.321695410149} H3 10 1
1 {} {0.682656913695 0.354467732203 0.550284285465} H4 11 1
1 {} {0.121339043719 0.496524597412 0.737013763946} H5 12 1
1 {} {0.340038016018 0.556812638572 0.838445693696} H6 13 1
1 {} {0.387233492009 0.678187794701 0.357084213568} H7 14 1
1 {} {0.615405641314 0.697847312228 0.274069800512} H8 15 1
1 {} {0.576970677894 0.691108325758 0.512430814424} H10 16 1
8 {} {0.280741541407 0.635355133826 0.599630723043} O 17 1
1 {} {0.339086963342 0.710539541113 0.616035404046} 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