./iterations/neb0_image07_iter295.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.482013403872 0.203011286203 0.50225984559} O1 1 1
14 {} {0.339844505901 0.211618567989 0.585518614599} Si1 2 1
14 {} {0.609903850503 0.294498828627 0.456401466598} Si2 3 1
8 {} {0.564793494675 0.450389182912 0.438193867963} O2 4 1
8 {} {0.320022564442 0.360822969278 0.648144821782} O3 5 1
14 {} {0.289043065402 0.522122351285 0.649116572785} Si3 6 1
14 {} {0.496412581472 0.597577363613 0.434595533223} Si4 7 1
1 {} {0.341224009627 0.11470155612 0.698971810734} H1 8 1
1 {} {0.231105976747 0.180256033508 0.488710347442} H2 9 1
1 {} {0.659052477588 0.24617536521 0.324757200359} H3 10 1
1 {} {0.714381679798 0.286391046239 0.562346530926} H4 11 1
1 {} {0.142082434964 0.542809314556 0.653649494931} H5 12 1
1 {} {0.353922483201 0.580676238512 0.76894928356} H6 13 1
1 {} {0.34364858862 0.898210947245 0.477878658081} H7 14 1
1 {} {0.469428632636 0.636734272306 0.294514704129} H8 15 1
1 {} {0.59287944507 0.691274291262 0.4994774865} H10 16 1
8 {} {0.352147714914 0.592101301714 0.514125982132} O 17 1
1 {} {0.308178830376 0.863147045537 0.533445524738} 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