./iterations/neb0_image01_iter154.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 {} {0.465334905205 0.251293677941 0.476568373619} O1 1 1
14 {} {0.327416818358 0.250973237803 0.565558136849} Si1 2 1
14 {} {0.597567343345 0.335323855569 0.427427521375} Si2 3 1
8 {} {0.555634577545 0.476223901566 0.355261421822} O2 4 1
8 {} {0.325828141662 0.377793409703 0.669122636917} O3 5 1
14 {} {0.2571058028 0.514252168912 0.730876340639} Si3 6 1
14 {} {0.53734020534 0.639384081588 0.36504715562} Si4 7 1
1 {} {0.325117847672 0.124719429578 0.6439015381} H1 8 1
1 {} {0.211263050203 0.259947728702 0.472884042636} H2 9 1
1 {} {0.667683292399 0.25253716606 0.326482588979} H3 10 1
1 {} {0.683659787562 0.365892259433 0.545133181028} H4 11 1
1 {} {0.111562672986 0.492857777345 0.75032428362} H5 12 1
1 {} {0.329715437959 0.540418117216 0.858158334979} H6 13 1
1 {} {0.397544369946 0.673149877929 0.325577205371} H7 14 1
1 {} {0.63549912301 0.706869272109 0.275923887155} H8 15 1
1 {} {0.559671080131 0.687094106142 0.505541334441} H10 16 1
8 {} {0.267260313871 0.643157168548 0.62810360956} O 17 1
1 {} {0.354881211911 0.680630646457 0.609166341827} 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