./iterations/neb0_image04_iter50.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 {} {0.468673672482 0.22720228152 0.481708689154} O1 1 1
14 {} {0.331256153669 0.234922323622 0.571726802118} Si1 2 1
14 {} {0.588318636943 0.331282973213 0.438734053565} Si2 3 1
8 {} {0.521695330763 0.476934162739 0.399578989623} O2 4 1
8 {} {0.331953992331 0.370931787925 0.664428056913} O3 5 1
14 {} {0.277402677541 0.519974515016 0.700945126984} Si3 6 1
14 {} {0.52087915695 0.643386734699 0.405376006069} Si4 7 1
1 {} {0.331507198391 0.119301925943 0.664876044957} H1 8 1
1 {} {0.213092431433 0.233070022015 0.480709454423} H2 9 1
1 {} {0.654574875383 0.267411659972 0.322081166034} H3 10 1
1 {} {0.68725729744 0.344715868637 0.549962871979} H4 11 1
1 {} {0.128722428881 0.526716486646 0.703178084545} H5 12 1
1 {} {0.339250993116 0.564013117685 0.827962909079} H6 13 1
1 {} {0.395736496102 0.72396042598 0.399304328152} H7 14 1
1 {} {0.57633622967 0.686243886253 0.272718352997} H8 15 1
1 {} {0.597126141649 0.691061924999 0.524803373397} H10 16 1
8 {} {0.335996413897 0.611688268204 0.577659611919} O 17 1
1 {} {0.310306002265 0.699699602752 0.545304088164} 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