iterations/neb0_image06_iter182.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.47610564185 0.224006329932 0.486515681442} O1 1 1
14 {} {0.332027997536 0.219847850812 0.565839216387} Si1 2 1
14 {} {0.607850179434 0.316583926832 0.45432011169} Si2 3 1
8 {} {0.57051435308 0.474370025062 0.452756463866} O2 4 1
8 {} {0.305273576101 0.354606106056 0.657078410112} O3 5 1
14 {} {0.286031726025 0.517097684745 0.656811048789} Si3 6 1
14 {} {0.484107510448 0.612247361391 0.446320824684} Si4 7 1
1 {} {0.338276518624 0.106045454534 0.660803680219} H1 8 1
1 {} {0.223402430479 0.204576134577 0.464050511958} H2 9 1
1 {} {0.660672453799 0.282914476263 0.320861397335} H3 10 1
1 {} {0.708417279806 0.294385492904 0.560387456445} H4 11 1
1 {} {0.144949649877 0.544900010231 0.694540591472} H5 12 1
1 {} {0.376455601278 0.58201807479 0.755429917801} H6 13 1
1 {} {0.392349573779 0.817148111603 0.520607958183} H7 14 1
1 {} {0.469482079745 0.65808932094 0.305245863456} H8 15 1
1 {} {0.580586628494 0.704681691969 0.514429598412} H10 16 1
8 {} {0.329073151205 0.575814081101 0.507329892997} O 17 1
1 {} {0.324509584905 0.78318569619 0.507729437167} 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
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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
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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