./iterations/neb0_image07_iter221.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.47460293769 0.228763358587 0.4959269064} O1 1 1
14 {} {0.334547308247 0.216394316861 0.581027034678} Si1 2 1
14 {} {0.615662556736 0.299608255129 0.452786346366} Si2 3 1
8 {} {0.596323764429 0.460617173903 0.424566447204} O2 4 1
8 {} {0.309047816018 0.349051249737 0.675883950402} O3 5 1
14 {} {0.291141329318 0.510669517452 0.650068169259} Si3 6 1
14 {} {0.495980288839 0.590119149091 0.433656310293} Si4 7 1
1 {} {0.343549069491 0.0995750212757 0.671271757188} H1 8 1
1 {} {0.222589596687 0.203628681852 0.484218211289} H2 9 1
1 {} {0.660425375708 0.233295113057 0.327789025797} H3 10 1
1 {} {0.715742522575 0.286961915068 0.562553048401} H4 11 1
1 {} {0.147365789105 0.549364120005 0.64961052643} H5 12 1
1 {} {0.367153121923 0.580291636924 0.75777039227} H6 13 1
1 {} {0.342046009303 0.91994390701 0.502178915294} H7 14 1
1 {} {0.468595458429 0.636777070708 0.295883263687} H8 15 1
1 {} {0.559087259071 0.693362883868 0.520297284401} H10 16 1
8 {} {0.351683550285 0.550321894254 0.501602681607} O 17 1
1 {} {0.31454215468 0.863772557561 0.543967508553} 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