./iterations/neb0_image04_iter52.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.468532456175 0.226862751759 0.481642823772} O1 1 1
14 {} {0.330986474104 0.234823998761 0.571889049723} Si1 2 1
14 {} {0.588105957416 0.331472243654 0.438734782491} Si2 3 1
8 {} {0.52156306788 0.477046592098 0.399637642983} O2 4 1
8 {} {0.33166101965 0.370761045697 0.665174922675} O3 5 1
14 {} {0.2774948606 0.520025670421 0.700686550266} Si3 6 1
14 {} {0.520954061668 0.64352823581 0.405402096545} Si4 7 1
1 {} {0.331537641127 0.119162175895 0.664986257833} H1 8 1
1 {} {0.212939648482 0.233075013972 0.48061070468} H2 9 1
1 {} {0.654454404425 0.268098890274 0.321422299402} H3 10 1
1 {} {0.687266874484 0.345339695438 0.550259329704} H4 11 1
1 {} {0.128754240291 0.526861179117 0.703112907281} H5 12 1
1 {} {0.339169188107 0.563982242457 0.828050068019} H6 13 1
1 {} {0.395857153559 0.723924927506 0.398781864017} H7 14 1
1 {} {0.576825240757 0.685977083155 0.27305174584} H8 15 1
1 {} {0.597839931834 0.691388977847 0.524514351913} H10 16 1
8 {} {0.335994959981 0.611572322629 0.577802342046} O 17 1
1 {} {0.310148948435 0.698614921722 0.545298270072} 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