iterations/neb0_image04_iter63.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 {} {0.467812867517 0.227560019699 0.482634796943} O1 1 1
14 {} {0.330482463156 0.233204435398 0.573423011825} Si1 2 1
14 {} {0.586508415368 0.333374963256 0.438118296018} Si2 3 1
8 {} {0.520724070958 0.478634806676 0.401735836322} O2 4 1
8 {} {0.328469152633 0.366097456134 0.670483151705} O3 5 1
14 {} {0.2778511219 0.518207773622 0.701335314919} Si3 6 1
14 {} {0.523167295812 0.644895096044 0.404549904217} Si4 7 1
1 {} {0.3308336315 0.116906142541 0.665094114639} H1 8 1
1 {} {0.212796941788 0.233674469657 0.481319030793} H2 9 1
1 {} {0.652922825111 0.274045935519 0.318144886492} H3 10 1
1 {} {0.68482983323 0.349171214543 0.550747384369} H4 11 1
1 {} {0.129358659666 0.52793213469 0.702181076459} H5 12 1
1 {} {0.338340766504 0.563352089989 0.829075366501} H6 13 1
1 {} {0.395948326668 0.725360296409 0.394904935285} H7 14 1
1 {} {0.581583708477 0.683765462158 0.276199308542} H8 15 1
1 {} {0.602268342692 0.69308090442 0.520887974665} H10 16 1
8 {} {0.338777436492 0.609222375509 0.576849008561} O 17 1
1 {} {0.307410267567 0.694032390006 0.543374601468} 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