iterations/neb0_image08_iter223.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471781489776 0.225571827083 0.493148232253} O1 1 1
14 {} {0.330710324953 0.219149987581 0.576586582319} Si1 2 1
14 {} {0.613257038908 0.297609298168 0.450968879571} Si2 3 1
8 {} {0.591827489201 0.456790037574 0.416739452944} O2 4 1
8 {} {0.313495149486 0.34903111906 0.676726095338} O3 5 1
14 {} {0.300414794873 0.513145715127 0.669603943258} Si3 6 1
14 {} {0.511893982125 0.596888039424 0.448640457016} Si4 7 1
1 {} {0.331685687101 0.097195220732 0.661198055499} H1 8 1
1 {} {0.219080271304 0.216888169795 0.478144864572} H2 9 1
1 {} {0.663210531002 0.230249856959 0.328411079549} H3 10 1
1 {} {0.709799415648 0.286120862739 0.564173288741} H4 11 1
1 {} {0.157297554202 0.552275680191 0.659792604237} H5 12 1
1 {} {0.365221864793 0.568463606908 0.791759701745} H6 13 1
1 {} {0.312194339404 0.906672222301 0.472882507816} H7 14 1
1 {} {0.471746213444 0.655429758312 0.318451883935} H8 15 1
1 {} {0.600715719588 0.686266227904 0.527676009398} H10 16 1
8 {} {0.374938955585 0.570159127343 0.534698308262} O 17 1
1 {} {0.270815439791 0.844611112041 0.461455789783} 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