iterations/neb0_image07_iter259.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	{{}}
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@end
@data
8 {} {0.47715725757 0.21710368553 0.500181536987} O1 1 1
14 {} {0.336119219387 0.212410199154 0.583979266291} Si1 2 1
14 {} {0.614273733278 0.295211286714 0.454405031785} Si2 3 1
8 {} {0.586540282572 0.454686962754 0.428657286509} O2 4 1
8 {} {0.313102957184 0.352376986656 0.667837298816} O3 5 1
14 {} {0.291059931774 0.513594326052 0.647615574247} Si3 6 1
14 {} {0.495979807828 0.591542193106 0.431309652034} Si4 7 1
1 {} {0.342378617758 0.103024933533 0.683464488488} H1 8 1
1 {} {0.226256286021 0.193171953659 0.485333996497} H2 9 1
1 {} {0.661419736579 0.234313601529 0.327348664519} H3 10 1
1 {} {0.71638810342 0.283714974731 0.562220300426} H4 11 1
1 {} {0.145667780057 0.544360397413 0.646904182958} H5 12 1
1 {} {0.364555176936 0.58191767624 0.758009081893} H6 13 1
1 {} {0.338591598739 0.926913199183 0.500723716716} H7 14 1
1 {} {0.470202818959 0.635752527997 0.292131946855} H8 15 1
1 {} {0.569013392523 0.694409213615 0.510531593633} H10 16 1
8 {} {0.35016419813 0.561516872039 0.501689329942} O 17 1
1 {} {0.311214931808 0.876496841002 0.548714764991} 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
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	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@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
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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}}
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@end
@data
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5 4 1 {0 0 0} 0
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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