iterations/neb0_image07_iter248.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 {} {0.476622489699 0.220543799745 0.499343770019} O1 1 1
14 {} {0.335590424408 0.213247702677 0.583581208746} Si1 2 1
14 {} {0.614588701255 0.295732725518 0.454694381636} Si2 3 1
8 {} {0.589584739038 0.455718250205 0.428082606717} O2 4 1
8 {} {0.312767446624 0.351066146594 0.669778600028} O3 5 1
14 {} {0.291061327453 0.512350952723 0.647623836445} Si3 6 1
14 {} {0.496544451279 0.590483189366 0.431346704492} Si4 7 1
1 {} {0.34228544235 0.101694948413 0.680615891342} H1 8 1
1 {} {0.225094009289 0.194900757377 0.486013241525} H2 9 1
1 {} {0.660102093001 0.233057969415 0.328059688547} H3 10 1
1 {} {0.717250901602 0.284671673432 0.562082413422} H4 11 1
1 {} {0.146787858479 0.545932741681 0.646473802368} H5 12 1
1 {} {0.364877737262 0.580303999264 0.757360375008} H6 13 1
1 {} {0.338849297378 0.928064492272 0.50199269698} H7 14 1
1 {} {0.470597299503 0.635341921257 0.291977550059} H8 15 1
1 {} {0.5655167421 0.695116205335 0.512400781598} H10 16 1
8 {} {0.350785123839 0.558286954306 0.500590905611} O 17 1
1 {} {0.311179762737 0.87600339656 0.549039272984} 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
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@data
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14 6 0 0
16 5 0 2
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4 1 0 0
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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
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end