{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.504692 0.203606 0.25 ] [ 0.504692 0.296394 0.75 ] [ 0.495308 0.703606 0.25 ] [ 0.495308 0.796394 0.75 ] [ 0.297259 0.914727 0.078508 ] [ 0.297259 0.585273 0.921492 ] [ 0.702741 0.414727 0.421492 ] [ 0.702741 0.085273 0.578508 ] [ 0.702741 0.085273 0.921492 ] [ 0.702741 0.414727 0.078508 ] [ 0.297259 0.585273 0.578508 ] [ 0.297259 0.914727 0.421492 ] [ 0.153914 0.25 0 ] [ 0.846086 0.75 0.5 ] [ 0.846086 0.75 0 ] [ 0.153914 0.25 0.5 ] [ 0.867828 0.038143 0.25 ] [ 0.867828 0.461857 0.75 ] [ 0.132172 0.538143 0.25 ] [ 0.132172 0.961857 0.75 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "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" 5.65834198 "source-unit" "angstrom" } "b" { "source-value" 8.04117286 "source-unit" "angstrom" } "c" { "source-value" 8.29092185 "source-unit" "angstrom" } }