iterations/neb0_image07_iter54.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 {} {0.470381964351 0.21787722775 0.482411014761} O1 1 1
14 {} {0.331934695764 0.224916203555 0.571859951311} Si1 2 1
14 {} {0.598943854601 0.313271115702 0.44267080112} Si2 3 1
8 {} {0.549202337203 0.463772289162 0.401497171914} O2 4 1
8 {} {0.333417562221 0.355288352931 0.673699852433} O3 5 1
14 {} {0.297632769313 0.515766194612 0.680157219457} Si3 6 1
14 {} {0.501028510487 0.610926468485 0.45516956587} Si4 7 1
1 {} {0.328230919733 0.105688993938 0.659813220996} H1 8 1
1 {} {0.21472849396 0.234098187062 0.478985934452} H2 9 1
1 {} {0.663299665011 0.251726990431 0.323871315911} H3 10 1
1 {} {0.693700247631 0.329428080761 0.557378820081} H4 11 1
1 {} {0.148979127072 0.53629372979 0.676671325501} H5 12 1
1 {} {0.353101327688 0.571222060895 0.807767505313} H6 13 1
1 {} {0.345802057356 0.811237940686 0.418088763412} H7 14 1
1 {} {0.485665935091 0.683888445025 0.327490337736} H8 15 1
1 {} {0.600943564409 0.680003430073 0.541358517658} H10 16 1
8 {} {0.366101382793 0.589674019063 0.550125968925} O 17 1
1 {} {0.326991737077 0.777438230784 0.482040682918} 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
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4 1 0 0
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7 1 0 0
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6 3 0 0
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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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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