./iterations/neb0_image02_iter250.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.458332325166 0.264433228449 0.490107957477} O1 1 1
14 {} {0.326848107331 0.239884364704 0.58466467375} Si1 2 1
14 {} {0.583705938592 0.349077890166 0.427910477664} Si2 3 1
8 {} {0.531651779299 0.491798681575 0.366231834897} O2 4 1
8 {} {0.312133187845 0.355812140535 0.699777365679} O3 5 1
14 {} {0.244194456393 0.502879146409 0.731748391832} Si3 6 1
14 {} {0.560864737171 0.653855756878 0.356817468792} Si4 7 1
1 {} {0.344456511884 0.110059417183 0.654457313325} H1 8 1
1 {} {0.205852803626 0.239656489408 0.497391232598} H2 9 1
1 {} {0.6420719683 0.268270254668 0.31778263331} H3 10 1
1 {} {0.682351171197 0.37743497831 0.536009491277} H4 11 1
1 {} {0.0975850381917 0.486888096711 0.74807286628} H5 12 1
1 {} {0.311453165021 0.554159211353 0.854174839984} H6 13 1
1 {} {0.435916703843 0.720293733709 0.311089409979} H7 14 1
1 {} {0.672896368892 0.681175778997 0.262140085102} H8 15 1
1 {} {0.60009876972 0.707781956471 0.491443265158} H10 16 1
8 {} {0.259150554607 0.608795677409 0.606246173488} O 17 1
1 {} {0.340522713843 0.660261315246 0.594992447067} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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