./iterations/neb0_image05_iter274.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.47041273135 0.269782866346 0.491415491125} O1 1 1
14 {} {0.323235566925 0.23569765758 0.557537325543} Si1 2 1
14 {} {0.613805179717 0.348288431962 0.475257503268} Si2 3 1
8 {} {0.606119179642 0.50477157885 0.527298667144} O2 4 1
8 {} {0.248772289516 0.365297668669 0.621884537302} O3 5 1
14 {} {0.235413587823 0.525732331161 0.652440859048} Si3 6 1
14 {} {0.579373923618 0.655319263171 0.463780717705} Si4 7 1
1 {} {0.34266791679 0.139750343252 0.668125889764} H1 8 1
1 {} {0.243366972579 0.178132889423 0.446864791159} H2 9 1
1 {} {0.645954754275 0.348349159831 0.328598996885} H3 10 1
1 {} {0.715652872918 0.278888146143 0.558486642995} H4 11 1
1 {} {0.130715035693 0.545254486928 0.755553922918} H5 12 1
1 {} {0.365664175091 0.576074071746 0.702862804898} H6 13 1
1 {} {0.539995489452 0.749230585962 0.572199723546} H7 14 1
1 {} {0.47163593516 0.648947378143 0.359617209822} H8 15 1
1 {} {0.70339971437 0.702400742529 0.395666415336} H10 16 1
8 {} {0.169335013112 0.60307784113 0.521903276354} O 17 1
1 {} {0.20456571951 0.597522693683 0.43156343355} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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