./iterations/neb0_image04_iter160.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.464625357686 0.247747333112 0.486985392077} O1 1 1
14 {} {0.325542040376 0.230292818347 0.572465642284} Si1 2 1
14 {} {0.588794811132 0.345601262195 0.442985443232} Si2 3 1
8 {} {0.535867920121 0.497180453058 0.412250410977} O2 4 1
8 {} {0.301673026638 0.354071715161 0.677824218614} O3 5 1
14 {} {0.258127727483 0.509307141903 0.706352701165} Si3 6 1
14 {} {0.555719828125 0.66000001257 0.398610966401} Si4 7 1
1 {} {0.337422870012 0.105097538241 0.651862039461} H1 8 1
1 {} {0.215718915399 0.219920111143 0.472902351498} H2 9 1
1 {} {0.647861882994 0.290246553515 0.318655115328} H3 10 1
1 {} {0.691734363018 0.345583224244 0.551265765449} H4 11 1
1 {} {0.111674164914 0.520018235425 0.733397059198} H5 12 1
1 {} {0.342692070239 0.554243314125 0.819788520407} H6 13 1
1 {} {0.424376930459 0.733876512909 0.416163645297} H7 14 1
1 {} {0.606847514651 0.691138676652 0.262281778093} H8 15 1
1 {} {0.648723398451 0.711375847606 0.503923395872} H10 16 1
8 {} {0.300087684718 0.591303867723 0.571197900598} O 17 1
1 {} {0.252595543637 0.665513239319 0.532145711633} 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