iterations/neb0_image09_iter230.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 {} {0.47227465152 0.215162652774 0.493808177021} O1 1 1
14 {} {0.333204162033 0.214918937339 0.581677498273} Si1 2 1
14 {} {0.606264956725 0.296528479762 0.445134333472} Si2 3 1
8 {} {0.570226658277 0.451653715822 0.403600534186} O2 4 1
8 {} {0.322510964165 0.349207006485 0.676232051399} O3 5 1
14 {} {0.300246290786 0.512396035373 0.672960604941} Si3 6 1
14 {} {0.511507608253 0.59698782785 0.452714957287} Si4 7 1
1 {} {0.334307335793 0.0966332214886 0.671279159344} H1 8 1
1 {} {0.218803361425 0.211452016629 0.486329657269} H2 9 1
1 {} {0.659143704915 0.228668038016 0.324213013247} H3 10 1
1 {} {0.705667273904 0.298082299026 0.556406578002} H4 11 1
1 {} {0.155359769831 0.542983114129 0.659350199765} H5 12 1
1 {} {0.357879135772 0.567719369324 0.798525622451} H6 13 1
1 {} {0.31652696998 0.913418911508 0.431541488293} H7 14 1
1 {} {0.474304553429 0.673387334371 0.331139221069} H8 15 1
1 {} {0.614886290144 0.666611146311 0.534458321604} H10 16 1
8 {} {0.375747788077 0.579072517984 0.543164070864} O 17 1
1 {} {0.281224636343 0.857635333977 0.468522139614} 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