iterations/neb0_image08_iter192.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471172035323 0.227763130203 0.493219047842} O1 1 1
14 {} {0.330023138483 0.22009454296 0.576493407308} Si1 2 1
14 {} {0.612193325083 0.299018161722 0.449928152683} Si2 3 1
8 {} {0.589553029744 0.457582347337 0.413477573748} O2 4 1
8 {} {0.313696938572 0.348276163753 0.678579679722} O3 5 1
14 {} {0.300532832134 0.512382137804 0.671558157649} Si3 6 1
14 {} {0.512584782652 0.5976378622 0.449856778113} Si4 7 1
1 {} {0.331170598141 0.0971424748928 0.659832826942} H1 8 1
1 {} {0.218392093506 0.220997705932 0.47809004606} H2 9 1
1 {} {0.663587079763 0.231163792018 0.328432944989} H3 10 1
1 {} {0.708112624136 0.290515117683 0.563413475093} H4 11 1
1 {} {0.156883145054 0.550178905034 0.661927487091} H5 12 1
1 {} {0.363526003292 0.568010184354 0.794401665507} H6 13 1
1 {} {0.314386823366 0.89909470788 0.469603071896} H7 14 1
1 {} {0.471267268901 0.660768781419 0.321895380623} H8 15 1
1 {} {0.604311378876 0.685015099549 0.527886291386} H10 16 1
8 {} {0.377031131891 0.568147376247 0.538046461981} O 17 1
1 {} {0.271662030562 0.838729375887 0.454415331631} 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