iterations/neb0_image02_iter97.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467758943604 0.237717053368 0.478507714617} O1 1 1
14 {} {0.329334686731 0.243104417738 0.566751605497} Si1 2 1
14 {} {0.59399668483 0.332123796067 0.431988722008} Si2 3 1
8 {} {0.540254802105 0.475744044494 0.374512141331} O2 4 1
8 {} {0.331110284532 0.374411339674 0.665251581381} O3 5 1
14 {} {0.264595808009 0.516328178651 0.715400478388} Si3 6 1
14 {} {0.532150444412 0.640154690412 0.377777815737} Si4 7 1
1 {} {0.325099467347 0.120552048825 0.65121843658} H1 8 1
1 {} {0.213469226174 0.248831478978 0.473097656647} H2 9 1
1 {} {0.66409229577 0.260896116894 0.322391253272} H3 10 1
1 {} {0.683732404946 0.354647651388 0.548767842872} H4 11 1
1 {} {0.118765783421 0.496010539663 0.737551302089} H5 12 1
1 {} {0.337604772047 0.558533700022 0.838172929888} H6 13 1
1 {} {0.391674799698 0.684385647443 0.354064262789} H7 14 1
1 {} {0.619865629125 0.6964454973 0.271272797552} H8 15 1
1 {} {0.577784045769 0.691187442433 0.510944446345} H10 16 1
8 {} {0.278903584531 0.633560006899 0.599699137278} O 17 1
1 {} {0.339892445047 0.707884331343 0.613687877956} 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
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
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end