./iterations/neb0_image07_iter298.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 {} {0.482416322411 0.201943265351 0.502718360466} O1 1 1
14 {} {0.339763588137 0.211850541255 0.585603349856} Si1 2 1
14 {} {0.609031312395 0.294886035478 0.456470901401} Si2 3 1
8 {} {0.561334472617 0.449823566295 0.439192288281} O2 4 1
8 {} {0.320376847171 0.361615808394 0.645807243877} O3 5 1
14 {} {0.289098273703 0.523465545049 0.650094685985} Si3 6 1
14 {} {0.496680293391 0.59855835254 0.435655708581} Si4 7 1
1 {} {0.341765953815 0.116660581078 0.700258158544} H1 8 1
1 {} {0.231273326769 0.179437019005 0.488856895055} H2 9 1
1 {} {0.658748835702 0.248689989288 0.324220253356} H3 10 1
1 {} {0.713648326412 0.287725866303 0.561971502856} H4 11 1
1 {} {0.141757150715 0.542848841011 0.654953482504} H5 12 1
1 {} {0.352218583593 0.579740988922 0.772110031838} H6 13 1
1 {} {0.344832045523 0.892572453784 0.473470856991} H7 14 1
1 {} {0.47094111513 0.636669877599 0.294911185507} H8 15 1
1 {} {0.595427853157 0.69079425411 0.49844951557} H10 16 1
8 {} {0.353015604638 0.595738340477 0.516656125503} O 17 1
1 {} {0.307755831423 0.859496657247 0.529657209537} 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