iterations/neb0_image04_iter78.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.46758269108 0.231132960622 0.48552796149} O1 1 1
14 {} {0.33040048078 0.230912687763 0.576261745454} Si1 2 1
14 {} {0.584875245968 0.33710198751 0.438046377012} Si2 3 1
8 {} {0.518517086703 0.481985003364 0.404144811916} O2 4 1
8 {} {0.324058883162 0.361015753304 0.677001591476} O3 5 1
14 {} {0.279268834746 0.51633666489 0.700358040557} Si3 6 1
14 {} {0.523428236854 0.64759480195 0.403397240998} Si4 7 1
1 {} {0.32927825925 0.110115827405 0.663141554633} H1 8 1
1 {} {0.213712047827 0.234192666071 0.483791578414} H2 9 1
1 {} {0.650338802053 0.279885903366 0.316901649486} H3 10 1
1 {} {0.681721232836 0.350408009268 0.550638514577} H4 11 1
1 {} {0.131415543809 0.529637232562 0.69868170674} H5 12 1
1 {} {0.338301954596 0.561573049075 0.828417927335} H6 13 1
1 {} {0.397877547624 0.729585418911 0.392601514547} H7 14 1
1 {} {0.589027808265 0.682180072886 0.274674598205} H8 15 1
1 {} {0.605452705519 0.695625587047 0.518912446744} H10 16 1
8 {} {0.342254348604 0.606230105592 0.576816653289} O 17 1
1 {} {0.302574415791 0.687004224464 0.541742071371} 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