{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.733137 0.090036 0.25 ] [ 0.266863 0.909964 0.75 ] [ 0.733137 0.909964 0.75 ] [ 0.266863 0.090036 0.25 ] [ 0 0.898753 0.25 ] [ 0 0.101247 0.75 ] [ 0.233137 0.590036 0.25 ] [ 0.766863 0.409964 0.75 ] [ 0.233137 0.409964 0.75 ] [ 0.766863 0.590036 0.25 ] [ 0.5 0.398753 0.25 ] [ 0.5 0.601247 0.75 ] [ 0 0.34837 0.25 ] [ 0 0.65163 0.75 ] [ 0.5 0.84837 0.25 ] [ 0.5 0.15163 0.75 ] [ 0.618848 0.081075 0.75 ] [ 0.381152 0.918925 0.25 ] [ 0.618848 0.918925 0.25 ] [ 0.381152 0.081075 0.75 ] [ 0 0.719046 0.952834 ] [ 0 0.280954 0.452834 ] [ 0 0.280954 0.047166 ] [ 0 0.719046 0.547166 ] [ 0.143447 0 0 ] [ 0.856553 0 0.5 ] [ 0.856553 0 0 ] [ 0.143447 0 0.5 ] [ 0.118848 0.581075 0.75 ] [ 0.881152 0.418925 0.25 ] [ 0.118848 0.418925 0.25 ] [ 0.881152 0.581075 0.75 ] [ 0.5 0.219046 0.952834 ] [ 0.5 0.780954 0.452834 ] [ 0.5 0.780954 0.047166 ] [ 0.5 0.219046 0.547166 ] [ 0.643447 0.5 0 ] [ 0.356553 0.5 0.5 ] [ 0.356553 0.5 0 ] [ 0.643447 0.5 0.5 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.4016587905 "source-unit" "angstrom" } "b" { "source-value" 12.3236294075 "source-unit" "angstrom" } "c" { "source-value" 6.03894402 "source-unit" "angstrom" } }