./iterations/neb0_image06_iter253.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 {} {0.473598400397 0.238669786327 0.493958332202} O1 1 1
14 {} {0.326498816122 0.217912965103 0.563485340763} Si1 2 1
14 {} {0.607034051537 0.329796099673 0.46616109008} Si2 3 1
8 {} {0.578856870163 0.487148386062 0.501069952553} O2 4 1
8 {} {0.278489615157 0.352882910139 0.642576860543} O3 5 1
14 {} {0.281844174245 0.516790266414 0.652171456816} Si3 6 1
14 {} {0.490382180657 0.616256181484 0.451159090039} Si4 7 1
1 {} {0.337717290882 0.110351073618 0.665448600802} H1 8 1
1 {} {0.229038682826 0.182709069809 0.455641688065} H2 9 1
1 {} {0.646151145907 0.321118351827 0.321829562749} H3 10 1
1 {} {0.714890272706 0.281585471531 0.556344108089} H4 11 1
1 {} {0.147271322612 0.550204511059 0.704789323832} H5 12 1
1 {} {0.38335934901 0.571385269269 0.743561496565} H6 13 1
1 {} {0.389547984329 0.80457944051 0.519843607546} H7 14 1
1 {} {0.475629923112 0.628857735928 0.304322840609} H8 15 1
1 {} {0.594788984208 0.720446428512 0.487021525936} H10 16 1
8 {} {0.328600352703 0.578017735345 0.505176772265} O 17 1
1 {} {0.326386582687 0.763806344764 0.496496592595} 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