iterations/neb0_image05_iter7.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469768123437 0.229815384659 0.483430500095} O1 1 1
14 {} {0.3313583706 0.229997603593 0.570603397694} Si1 2 1
14 {} {0.60325955805 0.309705613953 0.439720835812} Si2 3 1
8 {} {0.560919012054 0.46247921769 0.381540071655} O2 4 1
8 {} {0.332016945593 0.36389525949 0.667806025662} O3 5 1
14 {} {0.276540308431 0.517812692501 0.703992052218} Si3 6 1
14 {} {0.513793449043 0.61843287666 0.413698259291} Si4 7 1
1 {} {0.330321314257 0.115490241659 0.662390426332} H1 8 1
1 {} {0.215747499563 0.234890573522 0.479471278091} H2 9 1
1 {} {0.667040221694 0.237359072557 0.327380520285} H3 10 1
1 {} {0.694893705965 0.328070044292 0.555150282647} H4 11 1
1 {} {0.127645839132 0.50869626509 0.707166256578} H5 12 1
1 {} {0.344258882393 0.551532743404 0.831798119524} H6 13 1
1 {} {0.353737664123 0.790522009273 0.380107168288} H7 14 1
1 {} {0.554064274088 0.693184202992 0.285118276982} H8 15 1
1 {} {0.585951473652 0.678615084076 0.525171381968} H10 16 1
8 {} {0.325712948816 0.631372399722 0.575497362459} O 17 1
1 {} {0.323056554404 0.770646669948 0.541015782882} 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