iterations/neb0_image05_iter291.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.468902781304 0.282422789533 0.49389450923} O1 1 1
14 {} {0.325852335358 0.236440140804 0.558502394964} Si1 2 1
14 {} {0.617482089346 0.348927874435 0.474715684869} Si2 3 1
8 {} {0.613273967287 0.504671885138 0.528613298768} O2 4 1
8 {} {0.246008410227 0.366192597309 0.620310434054} O3 5 1
14 {} {0.228285298562 0.526809307993 0.648723340777} Si3 6 1
14 {} {0.57945165141 0.654217048525 0.46648325702} Si4 7 1
1 {} {0.346510593968 0.139276976954 0.66954171678} H1 8 1
1 {} {0.243124627608 0.178481514347 0.448508268606} H2 9 1
1 {} {0.647229671289 0.348910770173 0.330222530539} H3 10 1
1 {} {0.715402788742 0.274073866652 0.557185971003} H4 11 1
1 {} {0.121433452621 0.55424662365 0.748904205934} H5 12 1
1 {} {0.361411682095 0.56640284899 0.700670997075} H6 13 1
1 {} {0.54915188984 0.746304857002 0.579149679483} H7 14 1
1 {} {0.461983803172 0.647439891108 0.375733703996} H8 15 1
1 {} {0.697409950913 0.702425489989 0.387216026678} H10 16 1
8 {} {0.182559457793 0.613299398768 0.515594472651} O 17 1
1 {} {0.204611622186 0.581974282215 0.427087759802} 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