iterations/neb0_image04_iter294.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 {} {0.46927991158 0.260750262776 0.490383180394} O1 1 1
14 {} {0.326498149347 0.232619844718 0.566460024082} Si1 2 1
14 {} {0.603191972677 0.346090921454 0.451014401233} Si2 3 1
8 {} {0.564944758551 0.505538981175 0.44175083264} O2 4 1
8 {} {0.281140314476 0.353706858958 0.665934888893} O3 5 1
14 {} {0.231758193969 0.507830253625 0.695938065929} Si3 6 1
14 {} {0.590434237803 0.66436419632 0.406704019083} Si4 7 1
1 {} {0.34385223247 0.111311593637 0.652230761079} H1 8 1
1 {} {0.224996174384 0.208907899823 0.457483304277} H2 9 1
1 {} {0.651518826868 0.296636556149 0.319353044399} H3 10 1
1 {} {0.706088480536 0.326659430027 0.556748658949} H4 11 1
1 {} {0.108905503972 0.500530236475 0.781044016128} H5 12 1
1 {} {0.342500297534 0.578184396025 0.767277510587} H6 13 1
1 {} {0.473533174591 0.743150525812 0.456123190539} H7 14 1
1 {} {0.603371240905 0.683166579082 0.258996473465} H8 15 1
1 {} {0.715644498289 0.710403603939 0.473802516632} H10 16 1
8 {} {0.199654577914 0.574756179632 0.548094659291} O 17 1
1 {} {0.172773373872 0.667909413216 0.54171881343} 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