iterations/neb0_image08_iter51.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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@data
8 {} {0.47175949902 0.214811532423 0.487136623941} O1 1 1
14 {} {0.333860620861 0.220968705255 0.577890125196} Si1 2 1
14 {} {0.601333085498 0.306185631127 0.443656875079} Si2 3 1
8 {} {0.555443186031 0.458665834738 0.401075473982} O2 4 1
8 {} {0.332477502612 0.355100668231 0.673859442625} O3 5 1
14 {} {0.297375030774 0.516432777868 0.674258273366} Si3 6 1
14 {} {0.503464952244 0.604706734111 0.453750457544} Si4 7 1
1 {} {0.333272834521 0.103726029004 0.669026718115} H1 8 1
1 {} {0.215970260668 0.223597437402 0.485790163865} H2 9 1
1 {} {0.662245917359 0.241653792549 0.324623556384} H3 10 1
1 {} {0.697742794048 0.319605197781 0.557111609896} H4 11 1
1 {} {0.149708372709 0.537173079257 0.667166864904} H5 12 1
1 {} {0.353310317106 0.573939149425 0.800014963126} H6 13 1
1 {} {0.333200403867 0.834753322838 0.414467834077} H7 14 1
1 {} {0.478179243713 0.681859568205 0.329920272711} H8 15 1
1 {} {0.605197773497 0.671330933277 0.53958801222} H10 16 1
8 {} {0.365429946554 0.588590828686 0.54330802116} O 17 1
1 {} {0.320114384942 0.819416741704 0.488412711515} 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}}
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	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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	Order	int	0
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@data
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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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@end
@data
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8 5 11 {0 0 0} 0
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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