./iterations/neb0_image02_iter190.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.463300268739 0.255349454564 0.491051986739} O1 1 1
14 {} {0.328285208421 0.239696473927 0.582797866855} Si1 2 1
14 {} {0.585397177646 0.345303326826 0.429671284987} Si2 3 1
8 {} {0.528696288925 0.487348493012 0.369287150682} O2 4 1
8 {} {0.317907735146 0.360549957474 0.693461955856} O3 5 1
14 {} {0.249874618031 0.506654316372 0.727175449219} Si3 6 1
14 {} {0.553179892153 0.650054280966 0.360932693281} Si4 7 1
1 {} {0.338905873754 0.110836550659 0.655976072824} H1 8 1
1 {} {0.209164669741 0.241288197937 0.493275494024} H2 9 1
1 {} {0.645343187847 0.266829795231 0.318721975692} H3 10 1
1 {} {0.684009958986 0.374137349781 0.537956634229} H4 11 1
1 {} {0.103085811908 0.490845316528 0.742554128022} H5 12 1
1 {} {0.316637909673 0.555918992568 0.850828632713} H6 13 1
1 {} {0.426734007723 0.715165713367 0.317240141697} H7 14 1
1 {} {0.661902655845 0.680949391521 0.263520478} H8 15 1
1 {} {0.590765396797 0.702478190138 0.496191101278} H10 16 1
8 {} {0.26665677253 0.613530037713 0.601947400829} O 17 1
1 {} {0.340238691567 0.67558209788 0.598467688955} 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