iterations/neb0_image04_iter145.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.464363932137 0.245095692251 0.486051954382} O1 1 1
14 {} {0.3270449443 0.228165330177 0.572897487308} Si1 2 1
14 {} {0.586430807441 0.344907920906 0.441379233369} Si2 3 1
8 {} {0.53117924513 0.495536049047 0.411803083999} O2 4 1
8 {} {0.308509304582 0.352605846548 0.679473948259} O3 5 1
14 {} {0.265351709939 0.509455069209 0.70424037973} Si3 6 1
14 {} {0.544545093829 0.659659298495 0.40222495443} Si4 7 1
1 {} {0.333800101857 0.10421260184 0.654124320453} H1 8 1
1 {} {0.213073947457 0.224151115304 0.477363619808} H2 9 1
1 {} {0.646913153302 0.283501794738 0.319858916614} H3 10 1
1 {} {0.690076146345 0.350918441233 0.549423138335} H4 11 1
1 {} {0.117410788163 0.523824225229 0.719955404994} H5 12 1
1 {} {0.342013861805 0.555332287002 0.823144711566} H6 13 1
1 {} {0.416870132417 0.73312943091 0.406388234016} H7 14 1
1 {} {0.600978243272 0.68898637982 0.267408461629} H8 15 1
1 {} {0.638112338097 0.707927172889 0.507904551126} H10 16 1
8 {} {0.316215977809 0.595871400505 0.573240850381} O 17 1
1 {} {0.267196330978 0.669237827099 0.534174777991} 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