./iterations/neb0_image04_iter200.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465275441449 0.254926724943 0.488606799478} O1 1 1
14 {} {0.32511490057 0.229117447897 0.570834996989} Si1 2 1
14 {} {0.59261975642 0.34866406087 0.444629157585} Si2 3 1
8 {} {0.546439903525 0.502773324208 0.418361326534} O2 4 1
8 {} {0.291524856647 0.348871854431 0.677038843646} O3 5 1
14 {} {0.25104506598 0.505843764794 0.704372922233} Si3 6 1
14 {} {0.567753174685 0.664418554677 0.399334014661} Si4 7 1
1 {} {0.341267927997 0.103133370613 0.648918794295} H1 8 1
1 {} {0.216460384407 0.217763495681 0.470434176116} H2 9 1
1 {} {0.647210157361 0.2915222418 0.317875725805} H3 10 1
1 {} {0.69523509999 0.345036437596 0.553549379897} H4 11 1
1 {} {0.107893728167 0.516863533486 0.746133417078} H5 12 1
1 {} {0.34271738148 0.556897476099 0.809674619784} H6 13 1
1 {} {0.438683854732 0.732603657713 0.423144280078} H7 14 1
1 {} {0.611929863473 0.690864769047 0.25960568175} H8 15 1
1 {} {0.671237439971 0.713187043791 0.494934008176} H10 16 1
8 {} {0.275737056711 0.586081353519 0.561581912456} O 17 1
1 {} {0.221940024786 0.663948755787 0.542028076505} 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