iterations/neb0_image02_iter273.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.45598944929 0.268169661753 0.48749085296} O1 1 1
14 {} {0.325716952482 0.240528738795 0.583502180457} Si1 2 1
14 {} {0.583664886298 0.350123916238 0.427778068121} Si2 3 1
8 {} {0.534958940964 0.494276036602 0.365391843143} O2 4 1
8 {} {0.311167723626 0.357585704244 0.698885905201} O3 5 1
14 {} {0.240995333617 0.502333529227 0.73360621759} Si3 6 1
14 {} {0.564964387704 0.65579863862 0.355916139261} Si4 7 1
1 {} {0.347118371503 0.110393826824 0.651970772303} H1 8 1
1 {} {0.203879784229 0.237881717697 0.496926343438} H2 9 1
1 {} {0.642021277645 0.268016296621 0.318270344983} H3 10 1
1 {} {0.682111057149 0.374866239415 0.53763349243} H4 11 1
1 {} {0.0942863357845 0.484026492868 0.753048463248} H5 12 1
1 {} {0.310781896985 0.553289387595 0.855618656091} H6 13 1
1 {} {0.43921440984 0.721585401107 0.312907900436} H7 14 1
1 {} {0.67450294928 0.683856191754 0.258638118199} H8 15 1
1 {} {0.603746358573 0.708229860774 0.491224874263} H10 16 1
8 {} {0.253993211905 0.611386534747 0.608801808816} O 17 1
1 {} {0.340973084472 0.650170031594 0.59344577216} 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