iterations/neb0_image07_iter218.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.47475247743 0.227778268886 0.496332043969} O1 1 1
14 {} {0.334834853186 0.215701009647 0.58141238226} Si1 2 1
14 {} {0.61602380424 0.299349939557 0.453087404496} Si2 3 1
8 {} {0.597416324712 0.460494118953 0.425242252761} O2 4 1
8 {} {0.308746246646 0.348406464691 0.67583842919} O3 5 1
14 {} {0.290962576042 0.510826371772 0.649131225955} Si3 6 1
14 {} {0.496196491084 0.58958718353 0.432933406968} Si4 7 1
1 {} {0.343846841069 0.0990250119374 0.672267662813} H1 8 1
1 {} {0.222690634129 0.202548781131 0.484726133333} H2 9 1
1 {} {0.65996788949 0.232949817819 0.327387599619} H3 10 1
1 {} {0.716513045905 0.286485937093 0.56292377796} H4 11 1
1 {} {0.147298747063 0.550131325842 0.648098342915} H5 12 1
1 {} {0.367483592957 0.580005548053 0.756862090886} H6 13 1
1 {} {0.341630844934 0.924020683483 0.504743480327} H7 14 1
1 {} {0.469423996074 0.634637447509 0.294130242328} H8 15 1
1 {} {0.557782981796 0.69338542156 0.519410871271} H10 16 1
8 {} {0.350852282051 0.54955607602 0.500951933173} O 17 1
1 {} {0.313662271291 0.867628410761 0.545578494217} 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