./iterations/neb0_image06_iter128.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470180904618 0.228339209414 0.488855431996} O1 1 1
14 {} {0.329160276112 0.224502258595 0.573141321372} Si1 2 1
14 {} {0.601763018153 0.318961913781 0.449619036517} Si2 3 1
8 {} {0.563035888112 0.474971954424 0.421801936813} O2 4 1
8 {} {0.320559085087 0.354569266648 0.674214354117} O3 5 1
14 {} {0.291361463383 0.515422830748 0.665514666808} Si3 6 1
14 {} {0.492488495893 0.619559531704 0.445128417951} Si4 7 1
1 {} {0.330075377973 0.102185763324 0.657172197017} H1 8 1
1 {} {0.213966538523 0.223971572987 0.477420555036} H2 9 1
1 {} {0.655929533602 0.262446972383 0.323351479601} H3 10 1
1 {} {0.701172299065 0.319491060963 0.560943262132} H4 11 1
1 {} {0.14377884731 0.535787058312 0.679111686586} H5 12 1
1 {} {0.363696908169 0.580409292393 0.778310468218} H6 13 1
1 {} {0.384155665271 0.80343140359 0.474374532425} H7 14 1
1 {} {0.482704045915 0.679011687184 0.30760330441} H8 15 1
1 {} {0.590233693675 0.698905005166 0.52929512029} H10 16 1
8 {} {0.346605856684 0.573179218308 0.520304470708} O 17 1
1 {} {0.329218185765 0.757371904763 0.504895741427} 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