./iterations/neb0_image07_iter167.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 {} {0.470920927465 0.241343614962 0.492369632251} O1 1 1
14 {} {0.33255191047 0.222725523119 0.578446629271} Si1 2 1
14 {} {0.616408112624 0.304448729539 0.451595027019} Si2 3 1
8 {} {0.598762261676 0.465581219715 0.418352578656} O2 4 1
8 {} {0.304788059886 0.348408499026 0.682451195927} O3 5 1
14 {} {0.290658096567 0.510347711663 0.656140014366} Si3 6 1
14 {} {0.495004666175 0.592445586442 0.438097794508} Si4 7 1
1 {} {0.343782631647 0.1004110119 0.662081264438} H1 8 1
1 {} {0.222061132796 0.213964984272 0.478743852706} H2 9 1
1 {} {0.664703231998 0.236362342115 0.328578406933} H3 10 1
1 {} {0.713161624906 0.282043864945 0.563984042647} H4 11 1
1 {} {0.147468106289 0.548248128777 0.658413580942} H5 12 1
1 {} {0.368838048715 0.584895285001 0.75767358968} H6 13 1
1 {} {0.34791475838 0.897121343658 0.493707439229} H7 14 1
1 {} {0.457882632284 0.650936982455 0.306853195236} H8 15 1
1 {} {0.563179603668 0.691287276707 0.52688439176} H10 16 1
8 {} {0.353843715074 0.543953366163 0.507419768055} O 17 1
1 {} {0.31815646293 0.837992347317 0.529265430308} 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
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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
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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
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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