iterations/neb0_image07_iter204.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 {} {0.473216970644 0.232532421615 0.495423017063} O1 1 1
14 {} {0.333531110156 0.218441618008 0.580387364801} Si1 2 1
14 {} {0.615669945932 0.301787619136 0.451571315631} Si2 3 1
8 {} {0.598257559884 0.462677423244 0.422266412865} O2 4 1
8 {} {0.307024322962 0.348823635191 0.678239592191} O3 5 1
14 {} {0.290901093054 0.510597874863 0.652696140372} Si3 6 1
14 {} {0.49582414999 0.590722329305 0.435188214519} Si4 7 1
1 {} {0.34451956017 0.0988021397192 0.667423675529} H1 8 1
1 {} {0.221572417226 0.208317653607 0.482361092517} H2 9 1
1 {} {0.661861580136 0.234592785129 0.326876648994} H3 10 1
1 {} {0.71385854488 0.287503494141 0.562766999556} H4 11 1
1 {} {0.147665297132 0.549835870885 0.651825391751} H5 12 1
1 {} {0.368140078021 0.581069028949 0.758932555755} H6 13 1
1 {} {0.344086160529 0.913001011701 0.500289317969} H7 14 1
1 {} {0.467815139819 0.639392243193 0.298006415063} H8 15 1
1 {} {0.5586543488 0.692522987744 0.5237108695} H10 16 1
8 {} {0.3518691518 0.546601697723 0.504063251747} O 17 1
1 {} {0.315618505889 0.855295985888 0.539029529395} 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