./iterations/neb0_image05_iter250.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 {} {0.471537447491 0.259556068716 0.489973136842} O1 1 1
14 {} {0.324437318878 0.229081874544 0.558769561902} Si1 2 1
14 {} {0.608822082023 0.346770664634 0.471815132448} Si2 3 1
8 {} {0.584584648838 0.502685968978 0.517196744392} O2 4 1
8 {} {0.26218778828 0.365478555043 0.623448354855} O3 5 1
14 {} {0.237211588256 0.524265454394 0.658398659739} Si3 6 1
14 {} {0.575278216901 0.656436497716 0.455060673754} Si4 7 1
1 {} {0.339183869507 0.128024276812 0.667964146214} H1 8 1
1 {} {0.235923147668 0.181906589839 0.449161105671} H2 9 1
1 {} {0.648079863611 0.339135516192 0.327984768018} H3 10 1
1 {} {0.714643184038 0.288796341176 0.557400564491} H4 11 1
1 {} {0.135538923175 0.532969648384 0.768741201389} H5 12 1
1 {} {0.364314890931 0.590020660763 0.696467943624} H6 13 1
1 {} {0.51728595612 0.750657657124 0.555133283614} H7 14 1
1 {} {0.482484863555 0.651134978714 0.33693859359} H8 15 1
1 {} {0.709601756424 0.707675214963 0.418030792826} H10 16 1
8 {} {0.170824989088 0.603444439339 0.528177033358} O 17 1
1 {} {0.228145503745 0.61447768385 0.450396491804} 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