./iterations/neb0_image08_iter59.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 {} {0.471743162632 0.21518059078 0.487445819666} O1 1 1
14 {} {0.334108139082 0.221090714834 0.578064109465} Si1 2 1
14 {} {0.601667472841 0.30660475266 0.443588214403} Si2 3 1
8 {} {0.555965336739 0.458515273378 0.401507310064} O2 4 1
8 {} {0.332009960663 0.355146972912 0.673972797544} O3 5 1
14 {} {0.297549980323 0.516234217795 0.674629413802} Si3 6 1
14 {} {0.502676305137 0.604599682294 0.454215046619} Si4 7 1
1 {} {0.332540081265 0.102841423374 0.668115941536} H1 8 1
1 {} {0.21644739491 0.224018112041 0.485669049888} H2 9 1
1 {} {0.662423807405 0.242409759964 0.324403638596} H3 10 1
1 {} {0.697221786953 0.318915176387 0.557582374311} H4 11 1
1 {} {0.150522219907 0.537465652164 0.666070207763} H5 12 1
1 {} {0.354289318068 0.573946382787 0.799359869605} H6 13 1
1 {} {0.333022907941 0.835269572434 0.415761590448} H7 14 1
1 {} {0.476323626316 0.682637019067 0.330987283834} H8 15 1
1 {} {0.605413189993 0.670765185398 0.539533175661} H10 16 1
8 {} {0.366316180557 0.587946917907 0.543401810907} O 17 1
1 {} {0.319845253686 0.818930557994 0.486750344233} 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