./iterations/neb0_image03_iter51.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468179487288 0.230075700771 0.47969174742} O1 1 1
14 {} {0.330086076045 0.23917081557 0.568735722778} Si1 2 1
14 {} {0.590898533171 0.33119065916 0.434719723632} Si2 3 1
8 {} {0.531402906961 0.475842520794 0.385947746136} O2 4 1
8 {} {0.332088045891 0.373571072253 0.662982762564} O3 5 1
14 {} {0.272795627162 0.519380085528 0.70746476161} Si3 6 1
14 {} {0.52702925534 0.64115675119 0.390344773654} Si4 7 1
1 {} {0.32846382171 0.120937538238 0.658903872708} H1 8 1
1 {} {0.212930949792 0.240284475345 0.476286656286} H2 9 1
1 {} {0.659652862564 0.263696894934 0.320714128836} H3 10 1
1 {} {0.685655826858 0.349508870538 0.550005334866} H4 11 1
1 {} {0.124702759845 0.515067884015 0.71987457382} H5 12 1
1 {} {0.339015085332 0.560184184168 0.833595694074} H6 13 1
1 {} {0.389295170504 0.693808732441 0.376461509439} H7 14 1
1 {} {0.603005098577 0.691690562154 0.272685373082} H8 15 1
1 {} {0.588266218725 0.689847225425 0.517299632831} H10 16 1
8 {} {0.314778460602 0.620662658481 0.584272469578} O 17 1
1 {} {0.311839925201 0.71644133489 0.591071505304} 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