{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4c2" } "basis-atom-coordinates" { "source-value" [ [ 0.656386 0.220399 0.084074 ] [ 0.779601 0.343614 0.415926 ] [ 0.220399 0.343614 0.915926 ] [ 0.779601 0.656386 0.915926 ] [ 0.343614 0.220399 0.584074 ] [ 0.178651 0.821349 0.75 ] [ 0.220399 0.656386 0.415926 ] [ 0.178651 0.178651 0.25 ] [ 0.821349 0.821349 0.25 ] [ 0.656386 0.779601 0.584074 ] [ 0.343614 0.779601 0.084074 ] [ 0.821349 0.178651 0.75 ] [ 0 0.5 0.125521 ] [ 0.5 0 0.874479 ] [ 0 0 0.5 ] [ 0.5 0 0.374479 ] [ 0 0.5 0.625521 ] [ 0 0 0 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.25345303 "source-unit" "angstrom" } "c" { "source-value" 10.03062149 "source-unit" "angstrom" } }