{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.640251 0.359749 0.859749 ] [ 0.359749 0.859749 0.640251 ] [ 0.140251 0.140251 0.140251 ] [ 0.859749 0.640251 0.359749 ] [ 0.58371 0.91629 0.08371 ] [ 0.08371 0.58371 0.91629 ] [ 0.91629 0.08371 0.58371 ] [ 0.41629 0.41629 0.41629 ] [ 0.150859 0.349141 0.650859 ] [ 0.650859 0.150859 0.349141 ] [ 0.849141 0.849141 0.849141 ] [ 0.349141 0.650859 0.150859 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "P" "P" "P" "P" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.62389717 "source-unit" "angstrom" } }