{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.231827 0.390528 0 ] [ 0.609472 0.231827 0.5 ] [ 0.390528 0.768173 0.5 ] [ 0.768173 0.609472 0 ] [ 0 0.5 0.588559 ] [ 0 0.5 0.411441 ] [ 0.397788 0.775934 0.169019 ] [ 0.602212 0.224066 0.830981 ] [ 0 0 0.340711 ] [ 0 0 0.840711 ] [ 0.775934 0.602212 0.669019 ] [ 0.602212 0.224066 0.169019 ] [ 0.775934 0.602212 0.330981 ] [ 0.397788 0.775934 0.830981 ] [ 0 0 0.659289 ] [ 0 0 0.159289 ] [ 0.5 0 0.911441 ] [ 0.224066 0.397788 0.669019 ] [ 0.224066 0.397788 0.330981 ] [ 0.5 0 0.088559 ] [ 0.705683 0.894394 0.756182 ] [ 0.906543 0.787445 0.5 ] [ 0.894394 0.294317 0.256182 ] [ 0.705683 0.894394 0.243818 ] [ 0.093457 0.212555 0.5 ] [ 0.105606 0.705683 0.743818 ] [ 0.787445 0.093457 0 ] [ 0.212555 0.906543 0 ] [ 0.294317 0.105606 0.243818 ] [ 0.294317 0.105606 0.756182 ] [ 0.894394 0.294317 0.743818 ] [ 0.5 0.5 0.25 ] [ 0.105606 0.705683 0.256182 ] [ 0.5 0.5 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "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" 6.46735112009 "source-unit" "angstrom" } "c" { "source-value" 10.2133346201 "source-unit" "angstrom" } }