./iterations/neb0_image05_iter249.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 {} {0.471825584522 0.259127847501 0.490001996588} O1 1 1
14 {} {0.324450688506 0.229064680424 0.558789360914} Si1 2 1
14 {} {0.608611776768 0.346645090043 0.471704996716} Si2 3 1
8 {} {0.583490626656 0.502573848374 0.516300442679} O2 4 1
8 {} {0.263114162323 0.365710373686 0.623988344029} O3 5 1
14 {} {0.23724542743 0.524028880898 0.658748064621} Si3 6 1
14 {} {0.575042770658 0.65629149289 0.454519034174} Si4 7 1
1 {} {0.339134589337 0.127712016687 0.667550569099} H1 8 1
1 {} {0.235446574734 0.182084264912 0.449574460072} H2 9 1
1 {} {0.648083110256 0.338597236778 0.327954249291} H3 10 1
1 {} {0.714585409901 0.289296873691 0.557536487427} H4 11 1
1 {} {0.135536686238 0.532261499012 0.769062026054} H5 12 1
1 {} {0.364063658528 0.590167394954 0.696394142888} H6 13 1
1 {} {0.515637352757 0.750120915703 0.554127544623} H7 14 1
1 {} {0.48339690105 0.651642104282 0.335661723949} H8 15 1
1 {} {0.709636146454 0.707656644848 0.419010916601} H10 16 1
8 {} {0.171264379102 0.603672181407 0.528431051663} O 17 1
1 {} {0.229520191284 0.61586474152 0.451702776946} 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