./iterations/neb0_image01_iter25.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 {} {0.46807717056 0.242365271578 0.471642888859} O1 1 1
14 {} {0.328308918972 0.249848080731 0.557753535597} Si1 2 1
14 {} {0.600280194111 0.330959151623 0.431179835362} Si2 3 1
8 {} {0.554628496427 0.475887396264 0.367442248764} O2 4 1
8 {} {0.33286234083 0.379088467557 0.658904658599} O3 5 1
14 {} {0.267410731869 0.515004581099 0.725633923581} Si3 6 1
14 {} {0.529024066696 0.639031811502 0.372227147781} Si4 7 1
1 {} {0.317573561315 0.125191577964 0.639064048521} H1 8 1
1 {} {0.21382888621 0.26199697474 0.462534118696} H2 9 1
1 {} {0.673778832397 0.250569155222 0.329897443058} H3 10 1
1 {} {0.684662512876 0.350235886828 0.553112523108} H4 11 1
1 {} {0.122687009609 0.490635346829 0.746088927501} H5 12 1
1 {} {0.341579798885 0.534499276437 0.853912442128} H6 13 1
1 {} {0.387950433715 0.679080716279 0.341295332956} H7 14 1
1 {} {0.614559623321 0.704750105346 0.2701383706} H8 15 1
1 {} {0.559932879951 0.688439776316 0.50977813585} H10 16 1
8 {} {0.271296753019 0.645866236176 0.623811390994} O 17 1
1 {} {0.34164392428 0.709068137332 0.616641018548} 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