./iterations/neb0_image07_iter193.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 {} {0.472330672886 0.235614120849 0.495294373225} O1 1 1
14 {} {0.333117094962 0.219837021203 0.579626961024} Si1 2 1
14 {} {0.615445925746 0.302606018285 0.450897670308} Si2 3 1
8 {} {0.598010438826 0.463288877998 0.420892820439} O2 4 1
8 {} {0.305885858695 0.348504539553 0.679324151498} O3 5 1
14 {} {0.29096705342 0.510604204737 0.653933724647} Si3 6 1
14 {} {0.495820737246 0.590773294278 0.436065937486} Si4 7 1
1 {} {0.345113774215 0.0994203589272 0.665242284379} H1 8 1
1 {} {0.221636305066 0.21085068879 0.481474275946} H2 9 1
1 {} {0.663001327955 0.235456640319 0.327141916527} H3 10 1
1 {} {0.712579875651 0.287216328572 0.5624253904} H4 11 1
1 {} {0.147520972212 0.549250159609 0.654181876414} H5 12 1
1 {} {0.368202616169 0.581885995399 0.75977913717} H6 13 1
1 {} {0.345135645781 0.908379185156 0.498177161163} H7 14 1
1 {} {0.467270667022 0.64169838177 0.300030497184} H8 15 1
1 {} {0.558654565136 0.691949708207 0.525092546723} H10 16 1
8 {} {0.352885339479 0.545191708973 0.505197911976} O 17 1
1 {} {0.316507084565 0.849990584979 0.536279181606} 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