iterations/neb0_image01_iter30.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 {} {0.467898525594 0.241858108872 0.471904465159} O1 1 1
14 {} {0.3285295352 0.249591349686 0.558208603839} Si1 2 1
14 {} {0.599557527292 0.331282747573 0.431168719304} Si2 3 1
8 {} {0.552501228696 0.476061487286 0.368106746692} O2 4 1
8 {} {0.333282648105 0.379491215587 0.658981140209} O3 5 1
14 {} {0.267505381012 0.515423616958 0.724423101906} Si3 6 1
14 {} {0.529375114589 0.639269721157 0.372657403863} Si4 7 1
1 {} {0.318031024925 0.124942568099 0.639349421157} H1 8 1
1 {} {0.21408564036 0.261086692201 0.463270684225} H2 9 1
1 {} {0.673038305752 0.251774845632 0.32963447446} H3 10 1
1 {} {0.684300424383 0.350690620065 0.552279288087} H4 11 1
1 {} {0.122971888614 0.491653704473 0.745494404159} H5 12 1
1 {} {0.341377782799 0.536311639611 0.852388678709} H6 13 1
1 {} {0.38839764742 0.676455033841 0.343461409144} H7 14 1
1 {} {0.615656352554 0.704927615279 0.269606659811} H8 15 1
1 {} {0.560663460564 0.688464294064 0.510900842761} H10 16 1
8 {} {0.269960034045 0.644696182753 0.622079489381} O 17 1
1 {} {0.342953613177 0.708536502797 0.617142454981} 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