./iterations/neb0_image07_iter6.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.471120397127 0.224125589223 0.488537687087} O1 1 1
14 {} {0.333119888832 0.225210154195 0.579073389614} Si1 2 1
14 {} {0.603574555819 0.303229873122 0.442237719361} Si2 3 1
8 {} {0.562993195768 0.457676592573 0.387488583129} O2 4 1
8 {} {0.329947961488 0.355806490487 0.671486719898} O3 5 1
14 {} {0.283908046838 0.51764866258 0.690172120083} Si3 6 1
14 {} {0.507470706123 0.603148472572 0.436625065623} Si4 7 1
1 {} {0.335909991347 0.111391982617 0.672331846174} H1 8 1
1 {} {0.216882802291 0.222561210534 0.487498996678} H2 9 1
1 {} {0.66327282576 0.232545564698 0.326823766419} H3 10 1
1 {} {0.698659775985 0.318467121469 0.555082613049} H4 11 1
1 {} {0.134605053071 0.518789169699 0.687993418462} H5 12 1
1 {} {0.344708097764 0.560273044177 0.818392272835} H6 13 1
1 {} {0.33606524847 0.833626443648 0.4049833114} H7 14 1
1 {} {0.525699802295 0.68731176587 0.298576678108} H8 15 1
1 {} {0.596315325493 0.673439625489 0.527235888545} H10 16 1
8 {} {0.347915889512 0.609685193865 0.555034347984} O 17 1
1 {} {0.317916579008 0.817581002752 0.501483579878} 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