iterations/neb0_image08_iter28.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470486606911 0.219423225012 0.488902430292} O1 1 1
14 {} {0.334619163979 0.223181674744 0.58002913742} Si1 2 1
14 {} {0.601036916346 0.307333280853 0.442243462356} Si2 3 1
8 {} {0.552277356814 0.457020731502 0.399997748882} O2 4 1
8 {} {0.330788022874 0.359055105664 0.671703152894} O3 5 1
14 {} {0.295282911656 0.518499210288 0.673986218461} Si3 6 1
14 {} {0.503907771004 0.605349620142 0.451424057733} Si4 7 1
1 {} {0.336237794482 0.106894472062 0.672865003143} H1 8 1
1 {} {0.216870825419 0.220422324588 0.488384637465} H2 9 1
1 {} {0.662109938733 0.235455098451 0.32686662144} H3 10 1
1 {} {0.698682138911 0.317674132942 0.554471517212} H4 11 1
1 {} {0.148528135188 0.530245626245 0.676347716751} H5 12 1
1 {} {0.344849017139 0.567515967729 0.803306762804} H6 13 1
1 {} {0.331187831835 0.838621119712 0.416656670114} H7 14 1
1 {} {0.493514573098 0.677833543173 0.321080138559} H8 15 1
1 {} {0.603636139722 0.67226073264 0.536222702563} H10 16 1
8 {} {0.367036929044 0.588590847217 0.540096020016} O 17 1
1 {} {0.31903406271 0.827141255104 0.486474011692} 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
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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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
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5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end