./iterations/neb0_image03_iter281.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 {} {0.457784947628 0.264201970628 0.483858394015} O1 1 1
14 {} {0.324427391548 0.241024247915 0.57620664591} Si1 2 1
14 {} {0.58865480444 0.347037421359 0.431376015994} Si2 3 1
8 {} {0.543530758788 0.492424584345 0.3714844171} O2 4 1
8 {} {0.304428819471 0.360839799506 0.685149461743} O3 5 1
14 {} {0.250819792135 0.508562925218 0.734038236406} Si3 6 1
14 {} {0.565563486881 0.656137035615 0.369127405084} Si4 7 1
1 {} {0.34191540234 0.113688427392 0.650438525009} H1 8 1
1 {} {0.206869788489 0.23660472792 0.485141914072} H2 9 1
1 {} {0.649105354355 0.269168763074 0.320660614462} H3 10 1
1 {} {0.683740494368 0.366171336271 0.544378283441} H4 11 1
1 {} {0.10317853319 0.500202187369 0.750741732881} H5 12 1
1 {} {0.318267989659 0.545224150465 0.860242630731} H6 13 1
1 {} {0.431476455172 0.719085363104 0.355798137515} H7 14 1
1 {} {0.648996663354 0.693835312884 0.250294009805} H8 15 1
1 {} {0.630432984729 0.701597233922 0.495701782431} H10 16 1
8 {} {0.297154439135 0.628711614063 0.629067796767} O 17 1
1 {} {0.263737990181 0.628000909985 0.537351579828} 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