./iterations/neb0_image05_iter55.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 {} {0.469397301368 0.222909031002 0.481637554319} O1 1 1
14 {} {0.332260235144 0.22987443793 0.570792921413} Si1 2 1
14 {} {0.590499547592 0.329349936447 0.441897731948} Si2 3 1
8 {} {0.526013863029 0.475606917962 0.410805116498} O2 4 1
8 {} {0.332954396124 0.36417687353 0.667595827226} O3 5 1
14 {} {0.286900913355 0.519371701238 0.688510636854} Si3 6 1
14 {} {0.50347800164 0.640629236479 0.430982715119} Si4 7 1
1 {} {0.330259204378 0.11483467271 0.665274821693} H1 8 1
1 {} {0.212291207024 0.232780222846 0.480105413295} H2 9 1
1 {} {0.654627265251 0.267406765074 0.323264002822} H3 10 1
1 {} {0.689511258703 0.339259263435 0.553200479875} H4 11 1
1 {} {0.138386453305 0.535006295277 0.688682530748} H5 12 1
1 {} {0.344133557227 0.569055684071 0.817305837661} H6 13 1
1 {} {0.393480068546 0.760755179074 0.421820104914} H7 14 1
1 {} {0.530512669194 0.681934179821 0.293254379334} H8 15 1
1 {} {0.597220291657 0.693456465185 0.532694717565} H10 16 1
8 {} {0.34886753847 0.602920731707 0.557147179802} O 17 1
1 {} {0.329292341054 0.693190360473 0.506086005125} 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