iterations/neb0_image08_iter267.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 {} {0.473401526521 0.219114128024 0.493614338253} O1 1 1
14 {} {0.332195036451 0.21637283332 0.578031123631} Si1 2 1
14 {} {0.61314014253 0.294597502607 0.453190026917} Si2 3 1
8 {} {0.588368648931 0.454798588289 0.42641695653} O2 4 1
8 {} {0.315701741381 0.351870278119 0.669917866305} O3 5 1
14 {} {0.298822719361 0.51559886161 0.662839458185} Si3 6 1
14 {} {0.50869309522 0.596528447583 0.445193840503} Si4 7 1
1 {} {0.334294916942 0.0996693078089 0.670101805077} H1 8 1
1 {} {0.221108559735 0.208552426114 0.478832778089} H2 9 1
1 {} {0.663523266861 0.232729960814 0.327250464071} H3 10 1
1 {} {0.71113102016 0.278767267123 0.564851789909} H4 11 1
1 {} {0.15439240371 0.55148770376 0.65835839938} H5 12 1
1 {} {0.36792064274 0.571472196005 0.782632628574} H6 13 1
1 {} {0.313686204403 0.916183605177 0.475162462624} H7 14 1
1 {} {0.473857953515 0.651705086832 0.311920305946} H8 15 1
1 {} {0.595507388831 0.688143527363 0.52352562516} H10 16 1
8 {} {0.366499468444 0.573188193873 0.525196419132} O 17 1
1 {} {0.277841460497 0.851737967572 0.484021452359} 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