iterations/neb0_image06_iter177.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 {} {0.475800930039 0.224401159844 0.486083885518} O1 1 1
14 {} {0.332016955804 0.220931258439 0.566252977563} Si1 2 1
14 {} {0.608320275399 0.315932806391 0.453367459898} Si2 3 1
8 {} {0.569387703703 0.473816733787 0.450067190312} O2 4 1
8 {} {0.304927626489 0.354527330439 0.658200261465} O3 5 1
14 {} {0.285580837074 0.518167208086 0.657377544613} Si3 6 1
14 {} {0.483897939046 0.612373352484 0.445958709067} Si4 7 1
1 {} {0.338640731512 0.106620525085 0.660566719364} H1 8 1
1 {} {0.223902351918 0.204947303098 0.46358925197} H2 9 1
1 {} {0.661991678952 0.282935260051 0.319722821157} H3 10 1
1 {} {0.708152253268 0.294309480924 0.561041855719} H4 11 1
1 {} {0.14382041576 0.543840470234 0.696614068976} H5 12 1
1 {} {0.375561642549 0.58253394356 0.756340060306} H6 13 1
1 {} {0.392266730918 0.817376696525 0.519606675872} H7 14 1
1 {} {0.470493033118 0.65691142797 0.304414588315} H8 15 1
1 {} {0.579939333521 0.703797551393 0.51646347547} H10 16 1
8 {} {0.329411853034 0.576552935955 0.507976384991} O 17 1
1 {} {0.325973640406 0.782542382644 0.507414127279} 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