iterations/neb0_image05_iter252.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 {} {0.470964059127 0.260586918795 0.490225076172} O1 1 1
14 {} {0.324493309452 0.229279867621 0.558757112704} Si1 2 1
14 {} {0.609267722623 0.347034566931 0.472163434463} Si2 3 1
8 {} {0.586776059525 0.50314295153 0.518932956728} O2 4 1
8 {} {0.26035330516 0.365078807146 0.622404884095} O3 5 1
14 {} {0.236718832917 0.524698984968 0.657576393597} Si3 6 1
14 {} {0.575961795985 0.656805628165 0.456062782454} Si4 7 1
1 {} {0.339334709191 0.128591586888 0.668641501261} H1 8 1
1 {} {0.236810187479 0.181424097363 0.448306212054} H2 9 1
1 {} {0.648022246113 0.340180734172 0.328120319024} H3 10 1
1 {} {0.714956301029 0.287342905828 0.557300805461} H4 11 1
1 {} {0.135917378288 0.534243434462 0.768042239512} H5 12 1
1 {} {0.364650817414 0.589523275528 0.696151424052} H6 13 1
1 {} {0.520707174992 0.751602474636 0.557068791597} H7 14 1
1 {} {0.480584338625 0.650257902532 0.339557670182} H8 15 1
1 {} {0.709762178441 0.707738636713 0.415762235091} H10 16 1
8 {} {0.169683773121 0.60314493814 0.527828884372} O 17 1
1 {} {0.225121852504 0.611840386895 0.448155467264} 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