iterations/neb0_image02_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_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 {} {0.467803497156 0.237709389617 0.478464433988} O1 1 1
14 {} {0.329362588098 0.243155831984 0.566697854462} Si1 2 1
14 {} {0.594041282511 0.332055974164 0.431942221239} Si2 3 1
8 {} {0.540223533837 0.475715549096 0.374552172393} O2 4 1
8 {} {0.331107038533 0.374455572495 0.665150293344} O3 5 1
14 {} {0.264602407009 0.516235583824 0.715502587203} Si3 6 1
14 {} {0.532123929535 0.64012771691 0.377838906033} Si4 7 1
1 {} {0.325029538633 0.120581506073 0.651193051266} H1 8 1
1 {} {0.213487792276 0.248876963771 0.472996427417} H2 9 1
1 {} {0.664226309981 0.260870840853 0.322426510704} H3 10 1
1 {} {0.683633611212 0.354514021677 0.548758790769} H4 11 1
1 {} {0.118889704249 0.495948404942 0.737538421537} H5 12 1
1 {} {0.337675283715 0.558607372157 0.838016416501} H6 13 1
1 {} {0.391528050552 0.684107536318 0.354260905878} H7 14 1
1 {} {0.619700571457 0.696579728563 0.271259930099} H8 15 1
1 {} {0.577708945735 0.691139425544 0.51108200399} H10 16 1
8 {} {0.279315757594 0.634293578398 0.599567124062} O 17 1
1 {} {0.339626265717 0.707542984253 0.613809950898} 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