iterations/neb0_image08_iter285.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.474239884451 0.212967786754 0.493794164729} O1 1 1
14 {} {0.334331778949 0.214633342867 0.579339098413} Si1 2 1
14 {} {0.6114910181 0.293377781236 0.45333098611} Si2 3 1
8 {} {0.583260873766 0.452875503867 0.429990878626} O2 4 1
8 {} {0.317319119186 0.35383244859 0.664989293652} O3 5 1
14 {} {0.296739420739 0.516656274574 0.658400125084} Si3 6 1
14 {} {0.505463566321 0.596471713303 0.44354244255} Si4 7 1
1 {} {0.335669506488 0.103743110041 0.677295478474} H1 8 1
1 {} {0.222883549868 0.20275622719 0.482259808597} H2 9 1
1 {} {0.663225719876 0.23806965315 0.32645076053} H3 10 1
1 {} {0.709244137764 0.278435527926 0.563594921952} H4 11 1
1 {} {0.15148611651 0.548435603777 0.659418922155} H5 12 1
1 {} {0.367683384813 0.576090276125 0.774673911261} H6 13 1
1 {} {0.317696571259 0.914041662682 0.47088709495} H7 14 1
1 {} {0.476731007865 0.650497076004 0.308105375138} H8 15 1
1 {} {0.592316340058 0.68879924776 0.52167507823} H10 16 1
8 {} {0.360656700063 0.577948941108 0.519977183353} O 17 1
1 {} {0.289647449125 0.852885658881 0.503332253626} 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
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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
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
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3 14 6 {0 0 0} 0
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5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end