./iterations/neb0_image01_iter280.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 {} {0.46125256629 0.260267232418 0.480596088155} O1 1 1
14 {} {0.327022564761 0.247822813859 0.574039014735} Si1 2 1
14 {} {0.594077833876 0.339935919216 0.426629604219} Si2 3 1
8 {} {0.552015819485 0.479091411761 0.350560221849} O2 4 1
8 {} {0.322662522962 0.367133173178 0.687020902262} O3 5 1
14 {} {0.25373903753 0.510491738485 0.731455718456} Si3 6 1
14 {} {0.541143958478 0.643258616376 0.358613162198} Si4 7 1
1 {} {0.334048454629 0.116811065566 0.64466345214} H1 8 1
1 {} {0.207111459141 0.256197818459 0.485258546043} H2 9 1
1 {} {0.66079666829 0.251955809994 0.3270924946} H3 10 1
1 {} {0.682741313293 0.372304431374 0.542419336307} H4 11 1
1 {} {0.106415882439 0.493221395091 0.743758638763} H5 12 1
1 {} {0.3191993583 0.550101950166 0.859323902425} H6 13 1
1 {} {0.40979409023 0.684680114141 0.302277721419} H7 14 1
1 {} {0.652919164287 0.70490388486 0.281289937468} H8 15 1
1 {} {0.550720188792 0.689112015689 0.50144953301} H10 16 1
8 {} {0.275041193552 0.628392420685 0.616882989173} O 17 1
1 {} {0.359383838406 0.676835810359 0.617726626416} 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