iterations/neb0_image09_iter194.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472143393874 0.216322169852 0.493904177595} O1 1 1
14 {} {0.33342278568 0.215395842508 0.582154563505} Si1 2 1
14 {} {0.605679988832 0.297759680084 0.444545678606} Si2 3 1
8 {} {0.568385922879 0.452129659588 0.401805913884} O2 4 1
8 {} {0.323184315489 0.34934874036 0.677188376981} O3 5 1
14 {} {0.299279266873 0.51208011847 0.673095395469} Si3 6 1
14 {} {0.510762935191 0.597317611463 0.452429575529} Si4 7 1
1 {} {0.335463104553 0.0970097168235 0.671642177407} H1 8 1
1 {} {0.218213882191 0.212576362525 0.487599852304} H2 9 1
1 {} {0.659423671959 0.229152967875 0.324576531454} H3 10 1
1 {} {0.704558467459 0.301905240924 0.555865405483} H4 11 1
1 {} {0.154133227582 0.54118340075 0.65942219522} H5 12 1
1 {} {0.355945158592 0.568396726409 0.798443062353} H6 13 1
1 {} {0.318625732356 0.906523815815 0.426746527364} H7 14 1
1 {} {0.474308914459 0.675174592206 0.331571662942} H8 15 1
1 {} {0.614862906992 0.666105256047 0.53421933091} H10 16 1
8 {} {0.375075935288 0.5780513596 0.542931921462} O 17 1
1 {} {0.286616493847 0.856084673529 0.472915345248} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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