./iterations/neb0_image03_iter132.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.465149059184 0.244089969067 0.487610059886} O1 1 1
14 {} {0.327854880861 0.234994452155 0.5769953923} Si1 2 1
14 {} {0.58588083895 0.341144971605 0.432948050068} Si2 3 1
8 {} {0.526337094822 0.484669176724 0.383486165835} O2 4 1
8 {} {0.318624999712 0.358033697793 0.685474807029} O3 5 1
14 {} {0.268669202784 0.510622336772 0.717283866399} Si3 6 1
14 {} {0.541847243773 0.649120637575 0.377104276354} Si4 7 1
1 {} {0.331894876602 0.107950051859 0.653690594279} H1 8 1
1 {} {0.209735750048 0.239714808869 0.486713082622} H2 9 1
1 {} {0.648379235712 0.27035462866 0.317662790487} H3 10 1
1 {} {0.682707102489 0.36509007151 0.544129245056} H4 11 1
1 {} {0.119577467772 0.51602816104 0.723570609123} H5 12 1
1 {} {0.329603589794 0.551122769609 0.847082142896} H6 13 1
1 {} {0.41092336733 0.71202114382 0.347519574499} H7 14 1
1 {} {0.636850585223 0.680485247624 0.266346740912} H8 15 1
1 {} {0.598045324437 0.703617788253 0.504410849774} H10 16 1
8 {} {0.323458193629 0.607415168503 0.593145749162} O 17 1
1 {} {0.284547335422 0.696042926478 0.585883909018} 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