{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4c2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.865441 0.148501 0.416627 ] [ 0.351499 0.365441 0.083373 ] [ 0.851499 0.134559 0.083373 ] [ 0.134559 0.148501 0.916627 ] [ 0.865441 0.851499 0.916627 ] [ 0.648501 0.634559 0.083373 ] [ 0.134559 0.851499 0.416627 ] [ 0.148501 0.865441 0.083373 ] [ 0.365441 0.648501 0.916627 ] [ 0.851499 0.865441 0.583373 ] [ 0.351499 0.634559 0.583373 ] [ 0.634559 0.648501 0.416627 ] [ 0.365441 0.351499 0.416627 ] [ 0.148501 0.134559 0.583373 ] [ 0.634559 0.351499 0.916627 ] [ 0.648501 0.365441 0.583373 ] [ 0.842735 0.842735 0.25 ] [ 0.157265 0.157265 0.25 ] [ 0.157265 0.842735 0.75 ] [ 0.842735 0.157265 0.75 ] [ 0.342735 0.342735 0.75 ] [ 0.657265 0.657265 0.75 ] [ 0.657265 0.342735 0.25 ] [ 0.342735 0.657265 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.11452813482 "source-unit" "angstrom" } "c" { "source-value" 7.55723533259 "source-unit" "angstrom" } }