iterations/neb0_image05_iter220.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474201361205 0.247961313109 0.489783313154} O1 1 1
14 {} {0.326087849217 0.228786421634 0.561031115708} Si1 2 1
14 {} {0.603851532031 0.345601530184 0.468364393843} Si2 3 1
8 {} {0.564396696338 0.500564937785 0.502616138308} O2 4 1
8 {} {0.277916624769 0.365246988559 0.635049667069} O3 5 1
14 {} {0.241158986144 0.522737803328 0.663119033821} Si3 6 1
14 {} {0.566688412713 0.655214266717 0.446095436195} Si4 7 1
1 {} {0.338400607566 0.120711348019 0.662255849382} H1 8 1
1 {} {0.228312887898 0.188380813694 0.456691263673} H2 9 1
1 {} {0.647019293211 0.333926662005 0.326323049786} H3 10 1
1 {} {0.71084170888 0.301475000591 0.560575395889} H4 11 1
1 {} {0.135944863202 0.524143600603 0.766993321986} H5 12 1
1 {} {0.364038884462 0.593501677186 0.700650827226} H6 13 1
1 {} {0.486557617529 0.737240608406 0.541336087356} H7 14 1
1 {} {0.501935782709 0.65996255444 0.312373743911} H8 15 1
1 {} {0.706249439783 0.706168804257 0.43625817522} H10 16 1
8 {} {0.184386735645 0.600804710403 0.528408798726} O 17 1
1 {} {0.252096727639 0.640088974955 0.473132563202} 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