./iterations/neb0_image02_iter156.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 {} {0.464086826352 0.250028819202 0.488762627807} O1 1 1
14 {} {0.328690444891 0.239657967834 0.580308800275} Si1 2 1
14 {} {0.586512330461 0.341948096226 0.430388747795} Si2 3 1
8 {} {0.529060477106 0.483738780275 0.370916415051} O2 4 1
8 {} {0.3200553669 0.363178215404 0.68781641544} O3 5 1
14 {} {0.252990185144 0.509397216376 0.72408343062} Si3 6 1
14 {} {0.548917221061 0.647035319568 0.364365809711} Si4 7 1
1 {} {0.335703359677 0.111999783537 0.656054846634} H1 8 1
1 {} {0.211260565556 0.243061905025 0.489556458638} H2 9 1
1 {} {0.649902548814 0.266870955101 0.319761985049} H3 10 1
1 {} {0.684360261086 0.371309590763 0.538416702071} H4 11 1
1 {} {0.106486093558 0.4918254286 0.741312420523} H5 12 1
1 {} {0.320859392166 0.557502865321 0.847971346807} H6 13 1
1 {} {0.418646801868 0.708410998682 0.324970031693} H7 14 1
1 {} {0.655134581441 0.683218502981 0.26568599213} H8 15 1
1 {} {0.588253097845 0.701640987982 0.498365502124} H10 16 1
8 {} {0.268590616905 0.618874188516 0.600775888912} O 17 1
1 {} {0.340575918157 0.682818311371 0.601544715809} 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