./iterations/neb0_image04_iter141.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 {} {0.465405437698 0.243443204763 0.487208982643} O1 1 1
14 {} {0.326328819707 0.228080946721 0.574415548845} Si1 2 1
14 {} {0.586447706591 0.345499938109 0.440972813814} Si2 3 1
8 {} {0.529329747569 0.494577910116 0.411146146648} O2 4 1
8 {} {0.310118651198 0.351803289916 0.680842495008} O3 5 1
14 {} {0.269714335129 0.509150138443 0.703131316834} Si3 6 1
14 {} {0.542087539015 0.658526625581 0.40154809527} Si4 7 1
1 {} {0.332878378924 0.102163616455 0.654142606664} H1 8 1
1 {} {0.210571769323 0.225951445261 0.479984547537} H2 9 1
1 {} {0.645084437736 0.281736015402 0.31919231662} H3 10 1
1 {} {0.688747872227 0.353575083482 0.550001140045} H4 11 1
1 {} {0.122103445864 0.525567784602 0.712210852614} H5 12 1
1 {} {0.341257270743 0.555912961956 0.824344478495} H6 13 1
1 {} {0.414416346892 0.734614393774 0.402914963244} H7 14 1
1 {} {0.598633647698 0.687489222034 0.269384256254} H8 15 1
1 {} {0.631408423555 0.706825703865 0.510048096035} H10 16 1
8 {} {0.324498178551 0.59792278198 0.573356993557} O 17 1
1 {} {0.271054045939 0.669676834155 0.536212369584} 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