./iterations/neb0_image03_iter229.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.456624314584 0.26711889387 0.490362644049} O1 1 1
14 {} {0.323872486452 0.238276275509 0.582079330527} Si1 2 1
14 {} {0.582802415602 0.351328978446 0.429775720951} Si2 3 1
8 {} {0.533469723546 0.494835949903 0.368620787238} O2 4 1
8 {} {0.304626406351 0.351097025122 0.699915997614} O3 5 1
14 {} {0.256616805613 0.50390235278 0.738151444482} Si3 6 1
14 {} {0.564271782047 0.656620195811 0.361627648689} Si4 7 1
1 {} {0.34071011659 0.106378138058 0.649182392012} H1 8 1
1 {} {0.206366814442 0.239886168188 0.490015418402} H2 9 1
1 {} {0.641637803852 0.270058042074 0.320833358477} H3 10 1
1 {} {0.682777245375 0.37625503409 0.537117343634} H4 11 1
1 {} {0.107857571024 0.509899642372 0.737361528133} H5 12 1
1 {} {0.316755059317 0.536293291759 0.869298157297} H6 13 1
1 {} {0.436789378715 0.724173072871 0.326286358162} H7 14 1
1 {} {0.665213347512 0.683841768371 0.255323071542} H8 15 1
1 {} {0.615236440002 0.708504186778 0.491210636905} H10 16 1
8 {} {0.31553128371 0.617428130529 0.631100486744} O 17 1
1 {} {0.258927201543 0.636620916799 0.552795357781} 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