{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.092745 0.747315 ] [ 0.5 0.407255 0.247315 ] [ 0.5 0.326839 0.514144 ] [ 0.5 0.907255 0.252685 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.173161 0.014144 ] [ 0.5 0.826839 0.985856 ] [ 0.5 0.673161 0.485856 ] [ 0.5 0.592745 0.752685 ] [ 0 0.168564 0.211312 ] [ 0 0.831436 0.788688 ] [ 0 0.668564 0.288688 ] [ 0 0.331436 0.711312 ] [ 0 0.843906 0.406837 ] [ 0 0.156094 0.593163 ] [ 0 0.656094 0.906837 ] [ 0 0.343906 0.093163 ] [ 0.5 0.338851 0.82153 ] [ 0.5 0.661149 0.17847 ] [ 0.5 0.838851 0.67847 ] [ 0.5 0.161149 0.32153 ] [ 0 0.525286 0.600228 ] [ 0 0.474714 0.399772 ] [ 0 0.025286 0.899772 ] [ 0 0.974714 0.100228 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Al" "Al" "Al" "Al" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.49905022 "source-unit" "angstrom" } "b" { "source-value" 12.13205672 "source-unit" "angstrom" } "c" { "source-value" 14.14357808 "source-unit" "angstrom" } }