./neb0_image10.sci output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
#MD System 2.0
@Title neb0_image10
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Freeze int 0
Name string {{}}
Site int 1
Spin double 0.0
WyckoffPosition int -1
@end
@data
14 {} {0.120874592067 0.132044603191 0.386363722432} 7 Si1 1 0.0 1
14 {} {0.366543742067 0.125943153191 0.307499462432} 7 Si2 2 0.0 1
14 {} {0.304606394691 0.0897505573771 0.609562144799} 0 Si3 3 0.0 1
14 {} {0.0932538020675 0.399488073191 0.150024212432} 7 Si4 4 0.0 1
14 {} {0.0862496420675 0.383942173191 0.462915112432} 7 Si5 5 0.0 1
14 {} {0.344293062067 0.372830073191 0.228977402432} 7 Si6 6 0.0 1
14 {} {0.339521495144 0.351461964949 0.537297942182} 0 Si7 7 0.0 1
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8 {} {0.0742109920675 0.032720133191 0.438837652432} 7 O2 9 0.0 1
8 {} {0.294182612067 0.244741373191 0.268763692432} 7 O3 10 0.0 1
8 {} {0.309459182182 0.188971664027 0.553086729818} 0 O4 11 0.0 1
8 {} {0.147126312067 0.272660653191 0.107950542432} 7 O5 12 0.0 1
8 {} {0.148896052067 0.280554263191 0.415338692432} 7 O6 13 0.0 1
8 {} {0.410882632067 0.493560783191 0.268241112432} 7 O7 14 0.0 1
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8 {} {0.260052182067 0.074241863191 0.356649442432} 7 O13 20 0.0 1
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8 {} {0.895595563754 0.231735763855 0.657270155372} 0 O16 23 0.0 1
14 {} {0.121679902067 0.633169063191 0.382321852432} 7 Si8 24 0.0 1
14 {} {0.372436582067 0.626239053191 0.307009972432} 7 Si9 25 0.0 1
14 {} {0.317015575839 0.598978017291 0.613739592428} 0 Si10 26 0.0 1
14 {} {0.106340462067 0.898002753191 0.146931222432} 7 Si11 27 0.0 1
14 {} {0.0811117520675 0.877974283191 0.463911852432} 7 Si12 28 0.0 1
14 {} {0.352444492067 0.873733803191 0.228842742432} 7 Si13 29 0.0 1
14 {} {0.338188466793 0.841593557665 0.538564963813} 0 Si14 30 0.0 1
8 {} {0.0435008020675 0.524319993191 0.110064562432} 7 O17 31 0.0 1
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8 {} {0.414467022067 0.996232093191 0.268654792432} 7 O23 37 0.0 1
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8 {} {0.432553312067 0.874225803191 0.483993022432} 7 O26 40 0.0 1
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8 {} {0.179569815903 0.869105428984 0.519945772684} 0 O28 42 0.0 1
8 {} {0.269796012067 0.581354603191 0.358776922432} 7 O29 43 0.0 1
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8 {} {0.938252469277 0.548534779126 0.67626581241} 0 O31 45 0.0 1
14 {} {0.617619882067 0.175180013191 0.387077652432} 7 Si15 46 0.0 1
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14 {} {0.592843442067 0.426669803191 0.461333472432} 7 Si19 50 0.0 1
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14 {} {0.868688172067 0.606609713191 0.305423152432} 7 Si23 70 0.0 1
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14 {} {0.582863632067 0.926862013191 0.463573942432} 7 Si26 73 0.0 1
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14 {} {0.833408483671 0.856737443464 0.545267835957} 0 Si28 75 0.0 1
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1 {} {0.0958746920675 0.116058063191 0.107809832432} 7 H1 92 0.0 1
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1 {} {0.0886628920675 0.616097223191 0.110104792432} 7 H3 94 0.0 1
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14 {} {0.964208001018 0.389231473362 0.650457504358} 0 Si29 100 0.0 1
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