./iterations/neb0_image08_iter58.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 {} {0.471716398935 0.215056238493 0.487402842184} O1 1 1
14 {} {0.334093543488 0.221053728398 0.578038490194} Si1 2 1
14 {} {0.60166644694 0.306633673037 0.443557256197} Si2 3 1
8 {} {0.55596585617 0.458474816519 0.401463981575} O2 4 1
8 {} {0.332057955975 0.355214465303 0.67400427045} O3 5 1
14 {} {0.297570006793 0.516279825935 0.674526260584} Si3 6 1
14 {} {0.502620198804 0.604656970002 0.454196646727} Si4 7 1
1 {} {0.332620736218 0.102898927179 0.668239831778} H1 8 1
1 {} {0.216352871759 0.223969147555 0.485650282605} H2 9 1
1 {} {0.662406282007 0.242322185103 0.324402799478} H3 10 1
1 {} {0.697291995011 0.31900742257 0.557556735458} H4 11 1
1 {} {0.150409118274 0.5374442962 0.666155575791} H5 12 1
1 {} {0.35421815679 0.573969002923 0.799428925755} H6 13 1
1 {} {0.33301431507 0.835152392882 0.41577737725} H7 14 1
1 {} {0.476514327742 0.682548883885 0.330929648687} H8 15 1
1 {} {0.60537086433 0.670801155642 0.539530767701} H10 16 1
8 {} {0.36627087038 0.588018089933 0.543418584618} O 17 1
1 {} {0.319926180132 0.819016741887 0.48677772176} 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