./iterations/neb0_image06_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_image06

@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 {} {0.469574204033 0.219841848602 0.482770993569} O1 1 1
14 {} {0.331357169492 0.227536097224 0.572624567521} Si1 2 1
14 {} {0.594604648352 0.31921116535 0.442872143877} Si2 3 1
8 {} {0.538657089389 0.468066300386 0.405265261729} O2 4 1
8 {} {0.332079269093 0.358226258964 0.67214889578} O3 5 1
14 {} {0.294313431695 0.517999406085 0.683897442822} Si3 6 1
14 {} {0.497504656193 0.620061527302 0.45135584908} Si4 7 1
1 {} {0.329465193109 0.109858983778 0.663052835956} H1 8 1
1 {} {0.213432779774 0.233000207873 0.479699206313} H2 9 1
1 {} {0.65806722529 0.261812715011 0.322512285102} H3 10 1
1 {} {0.691285540301 0.334942478529 0.555425245044} H4 11 1
1 {} {0.145976745313 0.53788258671 0.679852133517} H5 12 1
1 {} {0.348611063434 0.571357164361 0.812284526033} H6 13 1
1 {} {0.367765380847 0.785196280418 0.424587011461} H7 14 1
1 {} {0.504279414621 0.682905514313 0.314946449173} H8 15 1
1 {} {0.599340848536 0.689555751841 0.536652544642} H10 16 1
8 {} {0.365968068782 0.592870561826 0.55472447869} O 17 1
1 {} {0.327803392711 0.742193103718 0.476386113317} 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