./iterations/neb0_image05_iter276.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 {} {0.470016263975 0.271703152605 0.49176528467} O1 1 1
14 {} {0.324665485957 0.236029986066 0.557080593469} Si1 2 1
14 {} {0.614747952909 0.348842505543 0.475109807431} Si2 3 1
8 {} {0.607089212183 0.504634439335 0.526717553367} O2 4 1
8 {} {0.249017245344 0.365201356296 0.623302398992} O3 5 1
14 {} {0.234480394652 0.525656610746 0.651394107819} Si3 6 1
14 {} {0.579710590297 0.65394890678 0.464385455233} Si4 7 1
1 {} {0.342955986061 0.140354095584 0.66839924134} H1 8 1
1 {} {0.243195947905 0.178323082735 0.44732351398} H2 9 1
1 {} {0.645892321222 0.348887111861 0.328121506514} H3 10 1
1 {} {0.714720274957 0.278824803047 0.558358296254} H4 11 1
1 {} {0.128478386146 0.547991630527 0.752697064389} H5 12 1
1 {} {0.365477413617 0.573410252351 0.704846054487} H6 13 1
1 {} {0.540766206102 0.748675218779 0.57328743256} H7 14 1
1 {} {0.470400999199 0.64858702218 0.362892266562} H8 15 1
1 {} {0.700313315178 0.701875921276 0.394847815898} H10 16 1
8 {} {0.173073667693 0.605218663316 0.52042813816} O 17 1
1 {} {0.205084396741 0.594353385047 0.430101685754} 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