iterations/neb0_image06_iter254.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 {} {0.473527575569 0.239704898838 0.494202480491} O1 1 1
14 {} {0.326385296069 0.218030579181 0.563364842233} Si1 2 1
14 {} {0.607371275087 0.33020406198 0.466592298412} Si2 3 1
8 {} {0.578797732378 0.48714971756 0.502762764572} O2 4 1
8 {} {0.277140530538 0.353182496421 0.641472278966} O3 5 1
14 {} {0.281398858315 0.516684816004 0.652429805182} Si3 6 1
14 {} {0.490585851568 0.616136975366 0.451499057849} Si4 7 1
1 {} {0.33812591941 0.110743067792 0.665669499031} H1 8 1
1 {} {0.229476734211 0.181906769677 0.455074278026} H2 9 1
1 {} {0.645596324541 0.32291179475 0.32233575638} H3 10 1
1 {} {0.71499338048 0.280606650981 0.555797249263} H4 11 1
1 {} {0.14737331459 0.551030048821 0.705313741024} H5 12 1
1 {} {0.383430730388 0.57089249583 0.744359600614} H6 13 1
1 {} {0.389709063901 0.804090340766 0.518794753089} H7 14 1
1 {} {0.475923760656 0.627271503816 0.304408031294} H8 15 1
1 {} {0.594858127917 0.7209992041 0.486221209565} H10 16 1
8 {} {0.328586048097 0.578584298366 0.50541827081} O 17 1
1 {} {0.326805481205 0.762388315834 0.495342335892} 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