./iterations/neb0_image06_iter266.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.471271911653 0.245861543319 0.491069029239} O1 1 1
14 {} {0.326342798145 0.219150937849 0.561474447336} Si1 2 1
14 {} {0.608590779513 0.331746308887 0.467755475963} Si2 3 1
8 {} {0.580823963735 0.487059937437 0.51342819868} O2 4 1
8 {} {0.269071347359 0.353794478701 0.63594002879} O3 5 1
14 {} {0.278844972137 0.517001195512 0.653119368792} Si3 6 1
14 {} {0.492190803513 0.613553129267 0.456112017927} Si4 7 1
1 {} {0.339340889855 0.114795606771 0.66750192694} H1 8 1
1 {} {0.233083963091 0.179978982458 0.452439560846} H2 9 1
1 {} {0.643293557224 0.331593654563 0.323705868486} H3 10 1
1 {} {0.71730709937 0.278728526692 0.554301650309} H4 11 1
1 {} {0.144668121414 0.556361197357 0.710985835869} H5 12 1
1 {} {0.382820414116 0.567225981057 0.748468585749} H6 13 1
1 {} {0.394398973649 0.797608384131 0.511289316515} H7 14 1
1 {} {0.474623934977 0.62158403318 0.308146362312} H8 15 1
1 {} {0.595034728869 0.722633023502 0.481412491866} H10 16 1
8 {} {0.327483437588 0.578170788351 0.507367727536} O 17 1
1 {} {0.330894333948 0.75567037762 0.486540389018} 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