./iterations/neb0_image09_iter82.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 {} {0.47245500255 0.213461069338 0.494879453565} O1 1 1
14 {} {0.335937948299 0.216498912467 0.586480848135} Si1 2 1
14 {} {0.603128385995 0.299339698366 0.44497415836} Si2 3 1
8 {} {0.559808882562 0.451921023973 0.401502670458} O2 4 1
8 {} {0.328453364167 0.354611753451 0.675600907574} O3 5 1
14 {} {0.296724865664 0.516080017656 0.66944852634} Si3 6 1
14 {} {0.506867565341 0.5992999822 0.451002859624} Si4 7 1
1 {} {0.339750077893 0.102013859646 0.68100108994} H1 8 1
1 {} {0.218360520654 0.209318068537 0.495259803178} H2 9 1
1 {} {0.659084824577 0.232525998307 0.32496162698} H3 10 1
1 {} {0.70171725014 0.305671293196 0.556638844547} H4 11 1
1 {} {0.150420707801 0.538043127015 0.655945629701} H5 12 1
1 {} {0.351297186897 0.575971659821 0.794029277992} H6 13 1
1 {} {0.323492667321 0.878587898552 0.413698490956} H7 14 1
1 {} {0.475643418265 0.678811457657 0.329776347514} H8 15 1
1 {} {0.611500896425 0.663643392506 0.535699859136} H10 16 1
8 {} {0.368625250535 0.584744294548 0.538088290773} O 17 1
1 {} {0.306817352161 0.851974431257 0.482069288198} 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