./iterations/neb0_image01_iter89.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467627989082 0.241999421984 0.473285560338} O1 1 1
14 {} {0.328216502431 0.249345030838 0.559982842491} Si1 2 1
14 {} {0.598295234581 0.331821988986 0.430171660997} Si2 3 1
8 {} {0.551751641929 0.475503737114 0.366707692802} O2 4 1
8 {} {0.331579243906 0.379940079279 0.65933626611} O3 5 1
14 {} {0.262963102146 0.514934092666 0.72339496458} Si3 6 1
14 {} {0.531047656346 0.638384144219 0.373141507243} Si4 7 1
1 {} {0.319854543981 0.126016917353 0.642780827018} H1 8 1
1 {} {0.213381844519 0.259584244485 0.465594278581} H2 9 1
1 {} {0.671259868729 0.256421024499 0.325244334005} H3 10 1
1 {} {0.682579444434 0.356315914973 0.550515568028} H4 11 1
1 {} {0.118758268984 0.489169351294 0.74736111215} H5 12 1
1 {} {0.339235475213 0.546817104594 0.846978034857} H6 13 1
1 {} {0.388781824038 0.670718821622 0.343784876287} H7 14 1
1 {} {0.620528757 0.703443384884 0.273438154878} H8 15 1
1 {} {0.565282719919 0.690083192424 0.509800274116} H10 16 1
8 {} {0.269207723893 0.644717573136 0.620304043111} O 17 1
1 {} {0.349734300672 0.69730191471 0.619235998037} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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