./iterations/neb0_image06_iter120.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 {} {0.470284813591 0.228299436664 0.48990168184} O1 1 1
14 {} {0.329710867657 0.224355568228 0.574612361191} Si1 2 1
14 {} {0.600400007388 0.319315578691 0.449216725901} Si2 3 1
8 {} {0.558944342325 0.471752599139 0.417945328092} O2 4 1
8 {} {0.322285677606 0.353939817726 0.675276577819} O3 5 1
14 {} {0.292912451743 0.515629250052 0.66754385352} Si3 6 1
14 {} {0.494623451162 0.620212981842 0.445115642305} Si4 7 1
1 {} {0.328994867209 0.100707492253 0.657035400039} H1 8 1
1 {} {0.213944661455 0.225840683762 0.480171100853} H2 9 1
1 {} {0.654261360329 0.263208018234 0.323799767805} H3 10 1
1 {} {0.698876536187 0.321524371897 0.560573555343} H4 11 1
1 {} {0.145685533424 0.536850924184 0.674776583141} H5 12 1
1 {} {0.361993089116 0.578352840914 0.783984049146} H6 13 1
1 {} {0.379888253124 0.802047630667 0.46643156082} H7 14 1
1 {} {0.486789419486 0.680618487846 0.307157164684} H8 15 1
1 {} {0.590729783058 0.699351253265 0.530735046743} H10 16 1
8 {} {0.350822651249 0.576163793877 0.525300428145} O 17 1
1 {} {0.328938326548 0.754347196034 0.501481161041} 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
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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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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