iterations/neb0_image05_iter177.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 {} {0.473852305042 0.23746883643 0.487400060335} O1 1 1
14 {} {0.32932554394 0.226096113655 0.564261140279} Si1 2 1
14 {} {0.597542023893 0.343085164342 0.463549309609} Si2 3 1
8 {} {0.543219856893 0.495823507583 0.488065623181} O2 4 1
8 {} {0.293054641422 0.362469955846 0.646116860225} O3 5 1
14 {} {0.25325349857 0.520015840886 0.663677563178} Si3 6 1
14 {} {0.556588232327 0.651416363755 0.438747282935} Si4 7 1
1 {} {0.338982960935 0.115731808401 0.663575664503} H1 8 1
1 {} {0.225662851229 0.201540008519 0.460720117663} H2 9 1
1 {} {0.645935182375 0.329825182834 0.324465156779} H3 10 1
1 {} {0.703350354507 0.313701540632 0.563026538055} H4 11 1
1 {} {0.134751362433 0.525354491073 0.753337507486} H5 12 1
1 {} {0.367932197942 0.593191292119 0.724512381155} H6 13 1
1 {} {0.458618197243 0.724891603521 0.52403923534} H7 14 1
1 {} {0.517043353865 0.666822919751 0.29438883759} H8 15 1
1 {} {0.694598594121 0.70545643116 0.456947156538} H10 16 1
8 {} {0.212350728325 0.590385722904 0.518296401958} O 17 1
1 {} {0.264024128984 0.669241155604 0.495931295173} 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