./iterations/neb0_image03_iter161.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 {} {0.459760985294 0.258595331877 0.493240682186} O1 1 1
14 {} {0.324689802676 0.234448893732 0.582755124482} Si1 2 1
14 {} {0.581479891253 0.3489643526 0.432635590461} Si2 3 1
8 {} {0.526803058444 0.491968224744 0.374546395165} O2 4 1
8 {} {0.309437700553 0.350509919745 0.699304937262} O3 5 1
14 {} {0.263376674051 0.504576940762 0.729266145727} Si3 6 1
14 {} {0.556625074419 0.654599969353 0.366090757503} Si4 7 1
1 {} {0.33762549453 0.102109147405 0.648377364931} H1 8 1
1 {} {0.207725827404 0.239733906733 0.492031295666} H2 9 1
1 {} {0.64100237042 0.272992942985 0.319028676609} H3 10 1
1 {} {0.684017793196 0.374281993529 0.538890022169} H4 11 1
1 {} {0.114341970495 0.517239564236 0.725763342236} H5 12 1
1 {} {0.321483148853 0.539093725814 0.861705514991} H6 13 1
1 {} {0.428119999085 0.721830896505 0.328815268615} H7 14 1
1 {} {0.659570700742 0.680505383947 0.260100567709} H8 15 1
1 {} {0.607760177484 0.708949369117 0.495393657579} H10 16 1
8 {} {0.324443644291 0.60707322621 0.613498246065} O 17 1
1 {} {0.261821881255 0.66504426068 0.569614214393} 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