./iterations/neb0_image05_iter95.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471314380601 0.225997911068 0.490164931332} O1 1 1
14 {} {0.331986260082 0.223169113665 0.575193640022} Si1 2 1
14 {} {0.5905848477 0.332910553932 0.44650945126} Si2 3 1
8 {} {0.531820823438 0.482386139502 0.419960651254} O2 4 1
8 {} {0.326217938547 0.356789692208 0.674112711958} O3 5 1
14 {} {0.287512453745 0.51430395602 0.681610554338} Si3 6 1
14 {} {0.501007681838 0.648983577487 0.428061617083} Si4 7 1
1 {} {0.326534761701 0.100993510956 0.660049523678} H1 8 1
1 {} {0.214979809793 0.230705971398 0.483989647709} H2 9 1
1 {} {0.649588190116 0.27933160349 0.321255602768} H3 10 1
1 {} {0.689293482564 0.330450350637 0.558287995729} H4 11 1
1 {} {0.141825616355 0.539821785344 0.67421552089} H5 12 1
1 {} {0.358018001238 0.574653930309 0.796937218861} H6 13 1
1 {} {0.405261155845 0.775010834479 0.435142477267} H7 14 1
1 {} {0.530262970268 0.674769832554 0.284608958228} H8 15 1
1 {} {0.599994467978 0.696648398762 0.52891697183} H10 16 1
8 {} {0.340063599555 0.595374616647 0.543249569774} O 17 1
1 {} {0.313819656857 0.690216154537 0.528790952922} 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