iterations/neb0_image05_iter271.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 {} {0.47075842506 0.268222799814 0.491577078982} O1 1 1
14 {} {0.323459731625 0.234648509234 0.557971360245} Si1 2 1
14 {} {0.612829110775 0.348396604233 0.47447644515} Si2 3 1
8 {} {0.60328181803 0.504843167859 0.526423201526} O2 4 1
8 {} {0.250549967777 0.364699676081 0.62197582761} O3 5 1
14 {} {0.235433418099 0.525775028882 0.653230215533} Si3 6 1
14 {} {0.578355271636 0.656497540712 0.462944582845} Si4 7 1
1 {} {0.341678422058 0.137629843509 0.668168321075} H1 8 1
1 {} {0.242941701523 0.178401106495 0.447033926376} H2 9 1
1 {} {0.646509957892 0.347246856727 0.328365600117} H3 10 1
1 {} {0.715102955845 0.279348253956 0.558131439331} H4 11 1
1 {} {0.132154949603 0.543975501252 0.757100208228} H5 12 1
1 {} {0.365747645305 0.578308673505 0.701449819468} H6 13 1
1 {} {0.537434452419 0.75078833225 0.570376644335} H7 14 1
1 {} {0.472870936813 0.6479680919 0.356431804849} H8 15 1
1 {} {0.705008598884 0.703522310242 0.398659555735} H10 16 1
8 {} {0.168537075152 0.602836997523 0.522840755466} O 17 1
1 {} {0.207431618694 0.599408837209 0.433901418759} 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