{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnb" } "basis-atom-coordinates" { "source-value" [ [ 0.52662 0.471025 0.657099 ] [ 0.52662 0.028975 0.842901 ] [ 0.02662 0.471025 0.842901 ] [ 0.47338 0.971025 0.157099 ] [ 0.02662 0.028975 0.657099 ] [ 0.47338 0.528975 0.342901 ] [ 0.97338 0.971025 0.342901 ] [ 0.97338 0.528975 0.157099 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.807613 0.810757 0.527599 ] [ 0.472969 0.431282 0.844994 ] [ 0.307613 0.689243 0.527599 ] [ 0.192387 0.310757 0.027599 ] [ 0.527031 0.931282 0.344994 ] [ 0.472969 0.068718 0.655006 ] [ 0.692387 0.189243 0.027599 ] [ 0.192387 0.189243 0.472401 ] [ 0.027031 0.568718 0.344994 ] [ 0.692387 0.310757 0.472401 ] [ 0.307613 0.810757 0.972401 ] [ 0.027031 0.931282 0.155006 ] [ 0.972969 0.431282 0.655006 ] [ 0.807613 0.689243 0.972401 ] [ 0.527031 0.568718 0.155006 ] [ 0.972969 0.068718 0.844994 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "U" "U" "U" "U" "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" 5.92911101 "source-unit" "angstrom" } "b" { "source-value" 5.97754532 "source-unit" "angstrom" } "c" { "source-value" 12.20275918 "source-unit" "angstrom" } }