./iterations/neb0_image04_iter237.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465135570437 0.259662668276 0.49011237866} O1 1 1
14 {} {0.325080374944 0.229397655806 0.569289554903} Si1 2 1
14 {} {0.595455296167 0.348120399996 0.446580815783} Si2 3 1
8 {} {0.552306490595 0.504016918906 0.423841876329} O2 4 1
8 {} {0.288362001041 0.347814231877 0.67670039377} O3 5 1
14 {} {0.246008930934 0.503947750011 0.702587513191} Si3 6 1
14 {} {0.574880675766 0.66481880197 0.399867152374} Si4 7 1
1 {} {0.342703634343 0.103941997746 0.646676886447} H1 8 1
1 {} {0.217310663977 0.215222223015 0.467794198136} H2 9 1
1 {} {0.647537577353 0.290424573264 0.319970529739} H3 10 1
1 {} {0.698875714792 0.342764594117 0.55350475441} H4 11 1
1 {} {0.106067336605 0.513288807335 0.753745816563} H5 12 1
1 {} {0.3444207651 0.558801486373 0.800106300557} H6 13 1
1 {} {0.447308110235 0.736579445061 0.430685396075} H7 14 1
1 {} {0.614214878942 0.691021674043 0.258190758009} H8 15 1
1 {} {0.68505194247 0.715389199989 0.487826667555} H10 16 1
8 {} {0.254070923034 0.582146535751 0.557259757654} O 17 1
1 {} {0.20529509394 0.665158876191 0.546317447521} 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