iterations/neb0_image05_iter56.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 {} {0.469090614936 0.222527645714 0.481714637455} O1 1 1
14 {} {0.332300251331 0.230096800176 0.571203165564} Si1 2 1
14 {} {0.590497270006 0.329316062458 0.441988123005} Si2 3 1
8 {} {0.525955986959 0.475495513346 0.411081850254} O2 4 1
8 {} {0.33260750691 0.36384218901 0.668111122431} O3 5 1
14 {} {0.28684924937 0.519191194396 0.688668814737} Si3 6 1
14 {} {0.503669992842 0.640810389144 0.431130247646} Si4 7 1
1 {} {0.330154339524 0.11433537317 0.665282680689} H1 8 1
1 {} {0.212251055585 0.232756317209 0.480014646715} H2 9 1
1 {} {0.6545681544 0.268068809329 0.322702776288} H3 10 1
1 {} {0.689502834457 0.339530105329 0.553558128037} H4 11 1
1 {} {0.139263930379 0.53530533391 0.688012654657} H5 12 1
1 {} {0.344224876354 0.569051680726 0.816382177451} H6 13 1
1 {} {0.393519746072 0.761000317606 0.421957476229} H7 14 1
1 {} {0.530546435774 0.681723083547 0.293046379669} H8 15 1
1 {} {0.59745761396 0.693833053379 0.532690440412} H10 16 1
8 {} {0.348580738002 0.602410960018 0.556771692858} O 17 1
1 {} {0.329045516134 0.693223126146 0.506740962561} 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