./iterations/neb0_image06_iter198.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.474556532946 0.225948362465 0.486109519608} O1 1 1
14 {} {0.331358625136 0.21580494436 0.566275425378} Si1 2 1
14 {} {0.608600755324 0.31777353194 0.458221722139} Si2 3 1
8 {} {0.571359490661 0.476114072381 0.468123927349} O2 4 1
8 {} {0.302516251793 0.352657441724 0.651757917334} O3 5 1
14 {} {0.286214242662 0.515562471337 0.653212316534} Si3 6 1
14 {} {0.486212766931 0.614582711528 0.446771177342} Si4 7 1
1 {} {0.335110740116 0.1026701055 0.663613886028} H1 8 1
1 {} {0.224375283745 0.200677430088 0.464424066085} H2 9 1
1 {} {0.654500876575 0.290702508177 0.319231610144} H3 10 1
1 {} {0.712532496252 0.294111818412 0.56298114757} H4 11 1
1 {} {0.145059398087 0.548053578288 0.692494444494} H5 12 1
1 {} {0.381413065148 0.578041778496 0.749151757159} H6 13 1
1 {} {0.388366527811 0.80895935287 0.531941450002} H7 14 1
1 {} {0.46942479265 0.656971412806 0.305371490773} H8 15 1
1 {} {0.585379517716 0.711552996849 0.504265356165} H10 16 1
8 {} {0.330571209933 0.577531978739 0.506025227441} O 17 1
1 {} {0.322533359359 0.784801390372 0.501085650254} 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