./iterations/neb0_image07_iter227.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.474895471621 0.227510543071 0.49630963566} O1 1 1
14 {} {0.33486755883 0.21570940326 0.581385009126} Si1 2 1
14 {} {0.615820573651 0.299179039341 0.45308224347} Si2 3 1
8 {} {0.596454032158 0.460219507633 0.425297223923} O2 4 1
8 {} {0.309271466472 0.348879005181 0.67540981221} O3 5 1
14 {} {0.291069444453 0.510721601798 0.649305516986} Si3 6 1
14 {} {0.496093575278 0.589793004249 0.433053953333} Si4 7 1
1 {} {0.343532590234 0.0993426765713 0.672434804136} H1 8 1
1 {} {0.222763143289 0.202379910186 0.484748291886} H2 9 1
1 {} {0.659960733879 0.233066797902 0.327657159214} H3 10 1
1 {} {0.716278155286 0.286805241609 0.562652694203} H4 11 1
1 {} {0.147347631774 0.549706952421 0.648437648487} H5 12 1
1 {} {0.367129764177 0.579903276685 0.757255179072} H6 13 1
1 {} {0.341563460299 0.92306413377 0.503737655348} H7 14 1
1 {} {0.469354721394 0.635176391967 0.294557964997} H8 15 1
1 {} {0.558608306264 0.693494379414 0.519328662076} H10 16 1
8 {} {0.351278939509 0.55054694092 0.500951671336} O 17 1
1 {} {0.313796331288 0.86701901539 0.545452647045} 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