./iterations/neb0_image01_iter150.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.465665147445 0.25119133276 0.476389358002} O1 1 1
14 {} {0.327210800683 0.250917142214 0.565525074997} Si1 2 1
14 {} {0.597494759281 0.334841033729 0.427693149893} Si2 3 1
8 {} {0.555481938817 0.476716595323 0.35517423097} O2 4 1
8 {} {0.326205916158 0.378246093087 0.66908130735} O3 5 1
14 {} {0.257130321403 0.5141262602 0.730989042575} Si3 6 1
14 {} {0.537059423993 0.639367646576 0.365061450617} Si4 7 1
1 {} {0.324988668717 0.124549899769 0.64391111459} H1 8 1
1 {} {0.211222869412 0.259942461485 0.472389640043} H2 9 1
1 {} {0.667860410059 0.252403445055 0.326641864767} H3 10 1
1 {} {0.683826791743 0.365576558866 0.54525147975} H4 11 1
1 {} {0.111237268116 0.492779086511 0.750460919326} H5 12 1
1 {} {0.33000866691 0.539982892454 0.858128950394} H6 13 1
1 {} {0.397566014411 0.673096801264 0.325969260808} H7 14 1
1 {} {0.635321813459 0.707102436597 0.275425409642} H8 15 1
1 {} {0.559614150692 0.687147189854 0.505904558498} H10 16 1
8 {} {0.267368849014 0.643330342154 0.628338276468} O 17 1
1 {} {0.354822171564 0.681200673543 0.608722851245} 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
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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