iterations/neb0_image06_iter162.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	{{}}
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@data
8 {} {0.472226276742 0.229483731016 0.485150318233} O1 1 1
14 {} {0.331561687294 0.222753713359 0.568140237819} Si1 2 1
14 {} {0.60925120869 0.316175551239 0.451792165451} Si2 3 1
8 {} {0.568262685972 0.472517014018 0.443616101163} O2 4 1
8 {} {0.305126569473 0.354497988677 0.661523783861} O3 5 1
14 {} {0.28355954928 0.517441658249 0.657954623855} Si3 6 1
14 {} {0.486386389132 0.611672285686 0.445107305099} Si4 7 1
1 {} {0.336959568136 0.106180538474 0.660343438042} H1 8 1
1 {} {0.225232549937 0.208527647621 0.465631525068} H2 9 1
1 {} {0.663134713802 0.280864164264 0.316446129165} H3 10 1
1 {} {0.707898457869 0.297892693958 0.563652859415} H4 11 1
1 {} {0.141400431565 0.540280305957 0.698660584165} H5 12 1
1 {} {0.37351859241 0.584590256386 0.755991213407} H6 13 1
1 {} {0.394142210184 0.818285242119 0.512417471517} H7 14 1
1 {} {0.471104001864 0.65749311881 0.304423593398} H8 15 1
1 {} {0.579290881576 0.701803689091 0.520669180129} H10 16 1
8 {} {0.332121730061 0.573815402635 0.50890274305} O 17 1
1 {} {0.328908438499 0.778242829325 0.510634757906} H14 18 1
@end
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	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
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@data
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14 6 0 0
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10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
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	CellOffset2	int	{{0 0 0}}
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@data
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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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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end