{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0.678467 0.678467 0 ] [ 0.178467 0.821533 0.75 ] [ 0.821533 0.178467 0.25 ] [ 0.321533 0.321533 0.5 ] [ 0.750363 0.007065 0.625107 ] [ 0.992935 0.249637 0.874893 ] [ 0.007065 0.750363 0.374893 ] [ 0.250363 0.492935 0.124893 ] [ 0.749637 0.507065 0.624893 ] [ 0.492935 0.250363 0.875107 ] [ 0.507065 0.749637 0.375107 ] [ 0.249637 0.992935 0.125107 ] [ 0.256556 0.836284 0.495142 ] [ 0.743444 0.163716 0.995142 ] [ 0.836284 0.256556 0.504858 ] [ 0.336284 0.243444 0.245142 ] [ 0.663716 0.756556 0.745142 ] [ 0.243444 0.336284 0.754858 ] [ 0.756556 0.663716 0.254858 ] [ 0.243227 0.243227 0 ] [ 0.756773 0.756773 0.5 ] [ 0.743227 0.256773 0.75 ] [ 0.256773 0.743227 0.25 ] [ 0.163716 0.743444 0.004858 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.88942894 "source-unit" "angstrom" } "c" { "source-value" 12.42474263 "source-unit" "angstrom" } }