./iterations/neb0_image01_iter159.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464997369287 0.2523472317 0.476737246024} O1 1 1
14 {} {0.327361843782 0.251041338181 0.565806648992} Si1 2 1
14 {} {0.597540396925 0.335565453492 0.427392832117} Si2 3 1
8 {} {0.556057649669 0.476375090457 0.354393474344} O2 4 1
8 {} {0.325405943596 0.377551408237 0.669941151491} O3 5 1
14 {} {0.256934192831 0.514145646816 0.731544767139} Si3 6 1
14 {} {0.537338516916 0.639495144476 0.364028979157} Si4 7 1
1 {} {0.325534571906 0.124794130126 0.643795580981} H1 8 1
1 {} {0.211358972253 0.259874559764 0.473442804761} H2 9 1
1 {} {0.667430566222 0.251996162608 0.32706353832} H3 10 1
1 {} {0.683904459586 0.36612803316 0.544686894526} H4 11 1
1 {} {0.111293951284 0.493187028972 0.750512845309} H5 12 1
1 {} {0.328701858764 0.54020856585 0.859286415798} H6 13 1
1 {} {0.398704755958 0.674161705166 0.3238521339} H7 14 1
1 {} {0.636572264424 0.707212265911 0.275844404142} H8 15 1
1 {} {0.558730867471 0.686469311882 0.505129719122} H10 16 1
8 {} {0.267269838466 0.642725099637 0.628761798501} O 17 1
1 {} {0.354947948627 0.679239690447 0.608836688359} 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
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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