./iterations/neb0_image04_iter258.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 {} {0.466950605491 0.261629328375 0.491070732757} O1 1 1
14 {} {0.325663386713 0.230213493099 0.567847842626} Si1 2 1
14 {} {0.598725180929 0.34815453223 0.447389445624} Si2 3 1
8 {} {0.557048708514 0.504796511413 0.427203092888} O2 4 1
8 {} {0.284090762811 0.348473592781 0.673305312} O3 5 1
14 {} {0.240923224446 0.504167078455 0.700102747068} Si3 6 1
14 {} {0.58117802802 0.665116079883 0.401125792267} Si4 7 1
1 {} {0.343782531554 0.105805311009 0.648130104389} H1 8 1
1 {} {0.218100774713 0.214550423511 0.465694497271} H2 9 1
1 {} {0.648128973133 0.291624865901 0.318979114446} H3 10 1
1 {} {0.700475635863 0.339234009359 0.555464044738} H4 11 1
1 {} {0.106498444494 0.507952171163 0.764491013868} H5 12 1
1 {} {0.343039739215 0.562965558863 0.79147696183} H6 13 1
1 {} {0.457038443121 0.738321046904 0.437463584068} H7 14 1
1 {} {0.613184025178 0.688983117638 0.257216967644} H8 15 1
1 {} {0.694772577406 0.715518539836 0.483640813448} H10 16 1
8 {} {0.237897398595 0.57973064476 0.552860441337} O 17 1
1 {} {0.192587517745 0.665281506891 0.547595751202} 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
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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