./iterations/neb0_image02_iter263.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 {} {0.457345306784 0.266200124698 0.489240293448} O1 1 1
14 {} {0.326527721322 0.240507589842 0.58404493592} Si1 2 1
14 {} {0.583848136931 0.349596141965 0.427892081356} Si2 3 1
8 {} {0.532987714615 0.492730157927 0.365697685564} O2 4 1
8 {} {0.311280117305 0.35618180825 0.699266279221} O3 5 1
14 {} {0.242932673069 0.502534471431 0.733070150813} Si3 6 1
14 {} {0.5627498637 0.654743618284 0.356582205477} Si4 7 1
1 {} {0.345438787717 0.110406532777 0.653091078609} H1 8 1
1 {} {0.205446420948 0.238861097993 0.497877932859} H2 9 1
1 {} {0.641694934621 0.268097882311 0.318277814807} H3 10 1
1 {} {0.682205077373 0.376398252122 0.536595866437} H4 11 1
1 {} {0.0968342920044 0.485802382873 0.749777372349} H5 12 1
1 {} {0.310968777322 0.553467365584 0.855169041374} H6 13 1
1 {} {0.437230727504 0.721528187089 0.311118021059} H7 14 1
1 {} {0.673773552168 0.6820361056 0.260772782097} H8 15 1
1 {} {0.60159074307 0.707959219893 0.491030344643} H10 16 1
8 {} {0.256873230278 0.609850616095 0.607276709887} O 17 1
1 {} {0.340358268425 0.655616599445 0.594277263793} 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