{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.400622 0.658016 0.213232 ] [ 0.099378 0.158016 0.286768 ] [ 0.599378 0.341984 0.786768 ] [ 0.900622 0.841984 0.713232 ] [ 0.88896 0.661731 0.195386 ] [ 0.61104 0.161731 0.304614 ] [ 0.11104 0.338269 0.804614 ] [ 0.38896 0.838269 0.695386 ] [ 0.791187 0.711984 0.372042 ] [ 0.708813 0.211984 0.127958 ] [ 0.208813 0.288016 0.627958 ] [ 0.291187 0.788016 0.872042 ] [ 0.693317 0.602637 0.028313 ] [ 0.806683 0.102637 0.471687 ] [ 0.306683 0.397363 0.971687 ] [ 0.193317 0.897363 0.528313 ] [ 0.560106 0.994541 0.749521 ] [ 0.939894 0.494541 0.750479 ] [ 0.439894 0.005459 0.250479 ] [ 0.060106 0.505459 0.249521 ] [ 0.501468 0.669627 0.61761 ] [ 0.998532 0.169627 0.88239 ] [ 0.498532 0.330373 0.38239 ] [ 0.001468 0.830373 0.11761 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "P" "P" "P" "P" "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" 6.50780047295 "source-unit" "angstrom" } "b" { "source-value" 7.09086044 "source-unit" "angstrom" } "c" { "source-value" 6.8968090745 "source-unit" "angstrom" } "beta" { "source-value" 103.966225553 "source-unit" "degree" } }