iterations/neb0_image02_iter283.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 {} {0.454913632483 0.268659547658 0.485022226546} O1 1 1
14 {} {0.324894544175 0.241111572211 0.581799820511} Si1 2 1
14 {} {0.584306614612 0.349045392418 0.428068164881} Si2 3 1
8 {} {0.538108474393 0.493699164113 0.365559247848} O2 4 1
8 {} {0.311447015755 0.359206030262 0.696562821222} O3 5 1
14 {} {0.240268885937 0.502517159993 0.734004538205} Si3 6 1
14 {} {0.565487151655 0.655923548595 0.35701935207} Si4 7 1
1 {} {0.347603922979 0.11138251691 0.651208810474} H1 8 1
1 {} {0.203502610912 0.23811031059 0.495971785944} H2 9 1
1 {} {0.643062379342 0.268034651497 0.318554181084} H3 10 1
1 {} {0.681610343804 0.373274714939 0.53838871367} H4 11 1
1 {} {0.0942327021377 0.483459010871 0.755156337938} H5 12 1
1 {} {0.310787687614 0.552192522357 0.85507540544} H6 13 1
1 {} {0.438188046047 0.720753957699 0.315255927519} H7 14 1
1 {} {0.673219665455 0.686181926785 0.257697047807} H8 15 1
1 {} {0.604438003668 0.707860664996 0.491749603267} H10 16 1
8 {} {0.252654616962 0.612104681529 0.610256213925} O 17 1
1 {} {0.34136016256 0.649000870244 0.593707473702} 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