iterations/neb0_image08_iter50.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	{{}}
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@end
@data
8 {} {0.471691644092 0.214924118823 0.487172468252} O1 1 1
14 {} {0.333873660501 0.221035423623 0.577899578488} Si1 2 1
14 {} {0.601271421099 0.306141174501 0.443681053319} Si2 3 1
8 {} {0.555330043187 0.458533721539 0.401021116198} O2 4 1
8 {} {0.332526309579 0.35500616003 0.673712233234} O3 5 1
14 {} {0.297209389493 0.516356551941 0.674460531306} Si3 6 1
14 {} {0.503562216146 0.604664597392 0.453776753925} Si4 7 1
1 {} {0.333372160683 0.103922294821 0.669095682503} H1 8 1
1 {} {0.216007693885 0.223535295441 0.485880567905} H2 9 1
1 {} {0.66221296994 0.241557232021 0.324723062088} H3 10 1
1 {} {0.697757748757 0.319655577734 0.55696696491} H4 11 1
1 {} {0.149686579926 0.537073035981 0.667411246703} H5 12 1
1 {} {0.353068952822 0.573848889383 0.800078054365} H6 13 1
1 {} {0.333131363916 0.83463949639 0.414746846765} H7 14 1
1 {} {0.478489578565 0.681787640504 0.329607886807} H8 15 1
1 {} {0.60523343063 0.671475579283 0.539632836884} H10 16 1
8 {} {0.365467139328 0.588743544131 0.543008493738} O 17 1
1 {} {0.320193823151 0.819617630671 0.488182622526} 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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2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
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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}}
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@end
@data
0 12 5 {0 0 0} 0
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6 4 1 {0 0 0} 0
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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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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end