iterations/neb0_image05_iter275.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469958055885 0.271566907918 0.491324651493} O1 1 1
14 {} {0.32378149698 0.236380811766 0.557049290161} Si1 2 1
14 {} {0.614847855851 0.348479268263 0.475385069211} Si2 3 1
8 {} {0.608459761391 0.504569725448 0.52746348405} O2 4 1
8 {} {0.247856568498 0.365587281066 0.62219104309} O3 5 1
14 {} {0.234846618885 0.525865939417 0.651748679535} Si3 6 1
14 {} {0.579849143133 0.654207183744 0.464766547171} Si4 7 1
1 {} {0.343105145155 0.141181912857 0.668502579407} H1 8 1
1 {} {0.243649645032 0.177886706053 0.446766498931} H2 9 1
1 {} {0.645983932821 0.348551844821 0.328393137439} H3 10 1
1 {} {0.715560106265 0.278389409292 0.558295374132} H4 11 1
1 {} {0.128924752245 0.547410798791 0.753490194657} H5 12 1
1 {} {0.365444384293 0.573645730468 0.704860399339} H6 13 1
1 {} {0.542178399742 0.749662397581 0.573315833293} H7 14 1
1 {} {0.469726092962 0.648623868659 0.363383093255} H8 15 1
1 {} {0.700965902313 0.701755226995 0.39416146294} H10 16 1
8 {} {0.17171152634 0.604497636458 0.521052646269} O 17 1
1 {} {0.20323667296 0.594255496038 0.428908229395} 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