{ "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" [ [ 0.012145 0.949155 0.75 ] [ 0.487855 0.449155 0.75 ] [ 0.512145 0.550845 0.25 ] [ 0.987855 0.050845 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.130182 0.431353 0.25 ] [ 0.187915 0.189098 0.569877 ] [ 0.187915 0.189098 0.930123 ] [ 0.312085 0.689098 0.569877 ] [ 0.312085 0.689098 0.930123 ] [ 0.369818 0.931353 0.25 ] [ 0.630182 0.068647 0.75 ] [ 0.687915 0.310902 0.069877 ] [ 0.687915 0.310902 0.430123 ] [ 0.812085 0.810902 0.069877 ] [ 0.812085 0.810902 0.430123 ] [ 0.869818 0.568647 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ce" "Ce" "Ce" "Ce" "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" 5.84071885 "source-unit" "angstrom" } "b" { "source-value" 6.06214984 "source-unit" "angstrom" } "c" { "source-value" 8.5126016 "source-unit" "angstrom" } }