{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.850805 0.152285 0.578586 ] [ 0.149195 0.847715 0.078586 ] [ 0.840888 0.455314 0.25 ] [ 0.649195 0.652285 0.578586 ] [ 0.340888 0.044686 0.75 ] [ 0.649195 0.652285 0.921414 ] [ 0.350805 0.347715 0.421414 ] [ 0.159112 0.544686 0.75 ] [ 0.659112 0.955314 0.25 ] [ 0.350805 0.347715 0.078586 ] [ 0.149195 0.847715 0.421414 ] [ 0.850805 0.152285 0.921414 ] ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.92862987 "source-unit" "angstrom" } "b" { "source-value" 5.02747828 "source-unit" "angstrom" } "c" { "source-value" 7.21006471 "source-unit" "angstrom" } }