./iterations/neb0_image09_iter225.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472144578915 0.215276854773 0.493857502516} O1 1 1
14 {} {0.333313908651 0.2149794654 0.581729195577} Si1 2 1
14 {} {0.60617626054 0.296805989682 0.444996736035} Si2 3 1
8 {} {0.569846529587 0.451677492273 0.403254655727} O2 4 1
8 {} {0.322667295421 0.349349969183 0.676429393375} O3 5 1
14 {} {0.30009169344 0.512336841907 0.672911709569} Si3 6 1
14 {} {0.511419971875 0.597097832101 0.452613001141} Si4 7 1
1 {} {0.33457094647 0.0967638995273 0.671378954865} H1 8 1
1 {} {0.218689269259 0.2116091334 0.486649413547} H2 9 1
1 {} {0.659170489244 0.228702348999 0.324294946852} H3 10 1
1 {} {0.705486258736 0.298871261793 0.556302123746} H4 11 1
1 {} {0.155133389082 0.542651157221 0.659333417448} H5 12 1
1 {} {0.357464867213 0.567890199111 0.798502416458} H6 13 1
1 {} {0.316973623637 0.912072036922 0.430535597497} H7 14 1
1 {} {0.474333173227 0.673644919174 0.331196078698} H8 15 1
1 {} {0.614823528903 0.666545703176 0.534489226431} H10 16 1
8 {} {0.375487773568 0.578949931948 0.543163364778} O 17 1
1 {} {0.282292552133 0.857292917173 0.46941990832} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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