./iterations/neb0_image02_iter280.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 {} {0.455220085534 0.268226350646 0.486669408515} O1 1 1
14 {} {0.325324902138 0.240946015659 0.582930757529} Si1 2 1
14 {} {0.584065616475 0.349926340814 0.427743325573} Si2 3 1
8 {} {0.53615216288 0.494010076091 0.365587508518} O2 4 1
8 {} {0.311618172738 0.357806189683 0.697729666207} O3 5 1
14 {} {0.240487918368 0.502883101739 0.733671871697} Si3 6 1
14 {} {0.56531490228 0.655885019311 0.356470356636} Si4 7 1
1 {} {0.347419965396 0.110611579411 0.651845343684} H1 8 1
1 {} {0.20363774217 0.237888217122 0.496332213711} H2 9 1
1 {} {0.642502581303 0.268086104747 0.318284410433} H3 10 1
1 {} {0.681909488501 0.374146996602 0.537972324904} H4 11 1
1 {} {0.0941801190028 0.483829030285 0.753928314698} H5 12 1
1 {} {0.310793233571 0.553111445225 0.855153133958} H6 13 1
1 {} {0.43877630842 0.721102769039 0.31413650473} H7 14 1
1 {} {0.673901636365 0.684870331642 0.258190346938} H8 15 1
1 {} {0.604115195467 0.707982635724 0.491437694201} H10 16 1
8 {} {0.253148848566 0.611137678837 0.609433403826} O 17 1
1 {} {0.341517551374 0.650068338622 0.593541132789} 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