iterations/neb0_image04_iter191.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.46573436254 0.25328106668 0.488695067592} O1 1 1
14 {} {0.325728562661 0.229558487043 0.570828271644} Si1 2 1
14 {} {0.592611880424 0.346758456399 0.443524206093} Si2 3 1
8 {} {0.544045085473 0.500009300439 0.416055743286} O2 4 1
8 {} {0.293258499979 0.350236418427 0.67635984553} O3 5 1
14 {} {0.253790363319 0.506555643908 0.70458637422} Si3 6 1
14 {} {0.563116481799 0.663027325101 0.399256262138} Si4 7 1
1 {} {0.340242031618 0.104919584499 0.650261471724} H1 8 1
1 {} {0.215766775273 0.218893684045 0.471438702265} H2 9 1
1 {} {0.647846832926 0.290885106483 0.31646846574} H3 10 1
1 {} {0.693310046892 0.34491881642 0.554132904691} H4 11 1
1 {} {0.110881951727 0.517046358098 0.743625013447} H5 12 1
1 {} {0.340907746179 0.55608833248 0.81382905341} H6 13 1
1 {} {0.434057324123 0.732684596278 0.420890462261} H7 14 1
1 {} {0.609981588485 0.691250772515 0.259251715281} H8 15 1
1 {} {0.663749303524 0.712015285793 0.498733958827} H10 16 1
8 {} {0.283608036982 0.588590350948 0.564498913968} O 17 1
1 {} {0.23144915784 0.665798279793 0.538621670192} 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