iterations/neb0_image05_iter29.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 {} {0.469456781987 0.225735612558 0.483450899611} O1 1 1
14 {} {0.33255279786 0.234571539734 0.573977027473} Si1 2 1
14 {} {0.595322201052 0.322627032203 0.438370987083} Si2 3 1
8 {} {0.538063074327 0.475315454275 0.398688068434} O2 4 1
8 {} {0.332428812492 0.376128695134 0.660580195683} O3 5 1
14 {} {0.282873672976 0.529149401929 0.689494529119} Si3 6 1
14 {} {0.50566975398 0.640391643772 0.420851419075} Si4 7 1
1 {} {0.330797136013 0.113663216845 0.662827227146} H1 8 1
1 {} {0.21590337588 0.232392702042 0.481116968233} H2 9 1
1 {} {0.66414007255 0.244221230587 0.327889676194} H3 10 1
1 {} {0.693419509001 0.329245734147 0.552708965579} H4 11 1
1 {} {0.137366912152 0.520582557289 0.701905543489} H5 12 1
1 {} {0.339143814919 0.558832237347 0.820730217808} H6 13 1
1 {} {0.367556981341 0.772831352433 0.423887347079} H7 14 1
1 {} {0.54290379407 0.684623694911 0.283819443525} H8 15 1
1 {} {0.591290501342 0.67962179361 0.53347550682} H10 16 1
8 {} {0.34071394192 0.623714988387 0.571872741717} O 17 1
1 {} {0.330482999067 0.708869070364 0.505411219735} 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