./iterations/neb0_image06_iter237.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 {} {0.474728253487 0.231125248928 0.489956312891} O1 1 1
14 {} {0.329305902821 0.217155767474 0.564846808787} Si1 2 1
14 {} {0.607753077983 0.322265051356 0.461881036166} Si2 3 1
8 {} {0.577764441982 0.48105638629 0.484456761117} O2 4 1
8 {} {0.289661184135 0.351623086127 0.6502888572} O3 5 1
14 {} {0.283913999242 0.515246834328 0.650634249208} Si3 6 1
14 {} {0.489696841017 0.613889191661 0.448508027327} Si4 7 1
1 {} {0.334974240783 0.107378812324 0.662681790247} H1 8 1
1 {} {0.226985845485 0.190453763337 0.461434183925} H2 9 1
1 {} {0.65002155802 0.30555672832 0.320855193572} H3 10 1
1 {} {0.713123537941 0.289163558068 0.559982017145} H4 11 1
1 {} {0.145916476605 0.546062738139 0.699727728553} H5 12 1
1 {} {0.383803953072 0.574694072109 0.743198025509} H6 13 1
1 {} {0.388736587446 0.811562997302 0.524655475318} H7 14 1
1 {} {0.472069078123 0.643957791699 0.30465202363} H8 15 1
1 {} {0.590367217536 0.716690697834 0.494961309851} H10 16 1
8 {} {0.329378518498 0.577674285318 0.502881248873} O 17 1
1 {} {0.321885236878 0.776960941821 0.505457111116} 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