./iterations/neb0_image02_iter120.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 {} {0.467920659602 0.239987692534 0.480595527176} O1 1 1
14 {} {0.329750839469 0.242465925418 0.569194332228} Si1 2 1
14 {} {0.593323218452 0.334070104939 0.431648043871} Si2 3 1
8 {} {0.53810976153 0.47720064859 0.374097804732} O2 4 1
8 {} {0.328169004795 0.372655463945 0.669265995431} O3 5 1
14 {} {0.26253754629 0.515463819524 0.717199434822} Si3 6 1
14 {} {0.535123309756 0.64183803807 0.374974071397} Si4 7 1
1 {} {0.326984952735 0.119125979482 0.652532284364} H1 8 1
1 {} {0.212597665397 0.247696627535 0.477340943855} H2 9 1
1 {} {0.660681241813 0.261138150858 0.321422811434} H3 10 1
1 {} {0.684074162556 0.358751430824 0.547328593476} H4 11 1
1 {} {0.117222438557 0.495653876637 0.73823465023} H5 12 1
1 {} {0.334012714236 0.55667215334 0.841262566278} H6 13 1
1 {} {0.396804820063 0.69032976964 0.347604569623} H7 14 1
1 {} {0.627482686244 0.693193916301 0.269637780487} H8 15 1
1 {} {0.579966596322 0.693351283213 0.508412821508} H10 16 1
8 {} {0.275642282189 0.630639717611 0.599795050423} O 17 1
1 {} {0.339682212667 0.702283384887 0.610510740043} 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