./iterations/neb0_image03_iter150.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.460212070938 0.25644270829 0.492615259219} O1 1 1
14 {} {0.325573450006 0.234155642549 0.582580070818} Si1 2 1
14 {} {0.581578028958 0.347823954642 0.432270157441} Si2 3 1
8 {} {0.52455868667 0.491054274394 0.376695858748} O2 4 1
8 {} {0.311208618834 0.350449900688 0.699310871301} O3 5 1
14 {} {0.263714413495 0.504379511394 0.727221522461} Si3 6 1
14 {} {0.554618889529 0.653547506636 0.367645922047} Si4 7 1
1 {} {0.336732066 0.101309676075 0.649090645205} H1 8 1
1 {} {0.207889572278 0.239639582559 0.491217680695} H2 9 1
1 {} {0.641827482163 0.274071258541 0.319561812498} H3 10 1
1 {} {0.68291721639 0.373903382699 0.537843364757} H4 11 1
1 {} {0.115224794634 0.518460159289 0.725016232311} H5 12 1
1 {} {0.322524804415 0.541289559419 0.857454730448} H6 13 1
1 {} {0.425715045494 0.718411579748 0.331617785465} H7 14 1
1 {} {0.658036219474 0.679821298353 0.261217059239} H8 15 1
1 {} {0.607877847244 0.710694512615 0.497520779494} H10 16 1
8 {} {0.326253523641 0.605588148219 0.608756168469} O 17 1
1 {} {0.263623462945 0.671475387847 0.573421894263} 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