{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.533697 0.383079 0.071263 ] [ 0.383079 0.466303 0.928737 ] [ 0.966303 0.116921 0.571263 ] [ 0.116921 0.033697 0.428737 ] [ 0.033697 0.883079 0.571263 ] [ 0.883079 0.966303 0.428737 ] [ 0.466303 0.616921 0.071263 ] [ 0.616921 0.533697 0.928737 ] [ 0.80414 0.276244 0.625872 ] [ 0.680104 0.552036 0.101184 ] [ 0.776244 0.69586 0.874128 ] [ 0.819896 0.947964 0.601184 ] [ 0.19586 0.723756 0.625872 ] [ 0.052036 0.819896 0.398816 ] [ 0.223756 0.30414 0.874128 ] [ 0.447964 0.680104 0.898816 ] [ 0.30414 0.776244 0.125872 ] [ 0.180104 0.052036 0.601184 ] [ 0.276244 0.19586 0.374128 ] [ 0.319896 0.447964 0.101184 ] [ 0.69586 0.223756 0.125872 ] [ 0.552036 0.319896 0.898816 ] [ 0.723756 0.80414 0.374128 ] [ 0.947964 0.180104 0.398816 ] [ 0.829872 0.616204 0.328371 ] [ 0.331337 0.95707 0.411275 ] [ 0.855922 0.945497 0.248565 ] [ 0.116204 0.670128 0.171629 ] [ 0.876667 0.781201 0.016012 ] [ 0.218799 0.876667 0.983988 ] [ 0.45707 0.168663 0.088725 ] [ 0.144078 0.054503 0.248565 ] [ 0.670128 0.883796 0.828371 ] [ 0.945497 0.144078 0.751435 ] [ 0.168663 0.54293 0.911275 ] [ 0.054503 0.855922 0.751435 ] [ 0.04293 0.331337 0.588725 ] [ 0.383796 0.829872 0.671629 ] [ 0.781201 0.123333 0.983988 ] [ 0.123333 0.218799 0.016012 ] [ 0.329872 0.116204 0.828371 ] [ 0.831337 0.45707 0.911275 ] [ 0.355922 0.445497 0.748565 ] [ 0.616204 0.170128 0.671629 ] [ 0.376667 0.281201 0.516012 ] [ 0.718799 0.376667 0.483988 ] [ 0.95707 0.668663 0.588725 ] [ 0.644078 0.554503 0.748565 ] [ 0.170128 0.383796 0.328371 ] [ 0.445497 0.644078 0.251435 ] [ 0.668663 0.04293 0.411275 ] [ 0.554503 0.355922 0.251435 ] [ 0.54293 0.831337 0.088725 ] [ 0.883796 0.329872 0.171629 ] [ 0.281201 0.623333 0.483988 ] [ 0.623333 0.718799 0.516012 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.69757341 "source-unit" "angstrom" } "c" { "source-value" 14.67391245 "source-unit" "angstrom" } }