iterations/neb0_image04_iter179.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 {} {0.466378109451 0.251712231985 0.487985727456} O1 1 1
14 {} {0.326293160916 0.230049064634 0.57045509748} Si1 2 1
14 {} {0.592384195192 0.346322643766 0.442676821201} Si2 3 1
8 {} {0.541672612916 0.498908215726 0.414260141216} O2 4 1
8 {} {0.295457954939 0.351132175711 0.676999248803} O3 5 1
14 {} {0.255351446041 0.507325435916 0.705565889409} Si3 6 1
14 {} {0.560428534083 0.661167115192 0.398381357803} Si4 7 1
1 {} {0.339305736846 0.105951134975 0.65177152274} H1 8 1
1 {} {0.215039958372 0.219110917368 0.471123021653} H2 9 1
1 {} {0.648192271391 0.291220167368 0.316600781723} H3 10 1
1 {} {0.691701407961 0.344404821058 0.553454059754} H4 11 1
1 {} {0.11082715473 0.517372275209 0.742071156937} H5 12 1
1 {} {0.34093730711 0.555334379439 0.817733155617} H6 13 1
1 {} {0.431373254748 0.732461046682 0.419339876558} H7 14 1
1 {} {0.608674488779 0.691512054195 0.261008892452} H8 15 1
1 {} {0.657423161252 0.71147157099 0.500135831825} H10 16 1
8 {} {0.289057992967 0.590175223821 0.566915048067} O 17 1
1 {} {0.239587293931 0.66688738259 0.53458045147} 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