iterations/neb0_image06_iter52.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 {} {0.470199335084 0.220817902926 0.482320594547} O1 1 1
14 {} {0.331510936196 0.227182345119 0.571097083455} Si1 2 1
14 {} {0.594208312732 0.319995995436 0.442484106521} Si2 3 1
8 {} {0.538016932948 0.468096787595 0.405037361638} O2 4 1
8 {} {0.332995353267 0.359423606404 0.670370335884} O3 5 1
14 {} {0.294626127554 0.517406735216 0.683756910424} Si3 6 1
14 {} {0.498406789176 0.619692573852 0.451738115893} Si4 7 1
1 {} {0.329624992754 0.111287807925 0.662263983046} H1 8 1
1 {} {0.213627028022 0.233638836814 0.479696776466} H2 9 1
1 {} {0.658740242718 0.259552557452 0.324196184157} H3 10 1
1 {} {0.691422968828 0.334472092666 0.55445598265} H4 11 1
1 {} {0.144856019283 0.536912670095 0.682083459945} H5 12 1
1 {} {0.348033403727 0.57129183089 0.813561668432} H6 13 1
1 {} {0.366357881828 0.786751366913 0.423973714898} H7 14 1
1 {} {0.504971381072 0.683124548181 0.314103590016} H8 15 1
1 {} {0.598562073745 0.688380082052 0.537327224895} H10 16 1
8 {} {0.365929110578 0.593100607985 0.555678259586} O 17 1
1 {} {0.327997233482 0.741389607512 0.476912627815} 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