iterations/neb0_image03_iter61.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468387468339 0.231205156957 0.48004022157} O1 1 1
14 {} {0.330495863986 0.238267178362 0.569241402202} Si1 2 1
14 {} {0.590905323311 0.331402182491 0.434311336454} Si2 3 1
8 {} {0.530894795611 0.476005478173 0.38672668097} O2 4 1
8 {} {0.330008570524 0.371432039192 0.665120617547} O3 5 1
14 {} {0.272443097609 0.518474052997 0.708325205833} Si3 6 1
14 {} {0.527866507153 0.64087860782 0.389697120221} Si4 7 1
1 {} {0.328216412747 0.120060264879 0.659663943309} H1 8 1
1 {} {0.212721183578 0.240191739046 0.477147671222} H2 9 1
1 {} {0.658479890681 0.266531386192 0.31920305499} H3 10 1
1 {} {0.683774219153 0.351600437719 0.549273010629} H4 11 1
1 {} {0.124039997906 0.514809142309 0.720390629264} H5 12 1
1 {} {0.338431238257 0.560813457004 0.834628189306} H6 13 1
1 {} {0.390019198666 0.69414635277 0.373337078653} H7 14 1
1 {} {0.606473625291 0.690166449444 0.27396456503} H8 15 1
1 {} {0.591413487758 0.69137519024 0.515176277795} H10 16 1
8 {} {0.315454477425 0.620169685486 0.584017505004} O 17 1
1 {} {0.310060755169 0.714989155166 0.590793486053} 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