{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.266327 0.818153 0.661811 ] [ 0.266327 0.181847 0.661811 ] [ 0.642582 0.112975 0.330279 ] [ 0.642582 0.887025 0.330279 ] [ 0.766327 0.318153 0.661811 ] [ 0.766327 0.681847 0.661811 ] [ 0.142582 0.612975 0.330279 ] [ 0.142582 0.387025 0.330279 ] [ 0.000762 0 0.002581 ] [ 0.500762 0.5 0.002581 ] [ 0.951462 0.194896 0.084052 ] [ 0.951462 0.805104 0.084052 ] [ 0.377632 0 0.704108 ] [ 0.451462 0.694896 0.084052 ] [ 0.451462 0.305104 0.084052 ] [ 0.877632 0.5 0.704108 ] [ 0.203959 0 0.608938 ] [ 0.463298 0.925422 0.751571 ] [ 0.825978 0 0.422419 ] [ 0.090016 0.143866 0.086253 ] [ 0.090016 0.856134 0.086253 ] [ 0.467973 0.230265 0.274283 ] [ 0.467973 0.769735 0.274283 ] [ 0.795227 0.828612 0.886768 ] [ 0.795227 0.171388 0.886768 ] [ 0.463298 0.074578 0.751571 ] [ 0.703959 0.5 0.608938 ] [ 0.963298 0.425422 0.751571 ] [ 0.325978 0.5 0.422419 ] [ 0.590016 0.643866 0.086253 ] [ 0.590016 0.356134 0.086253 ] [ 0.967973 0.730265 0.274283 ] [ 0.967973 0.269735 0.274283 ] [ 0.295227 0.328612 0.886768 ] [ 0.295227 0.671388 0.886768 ] [ 0.963298 0.574578 0.751571 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sm" "Sm" "B" "B" "B" "B" "B" "B" "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" 8.16652565383 "source-unit" "angstrom" } "b" { "source-value" 16.1640364093 "source-unit" "angstrom" } "c" { "source-value" 3.60416138312 "source-unit" "angstrom" } "beta" { "source-value" 101.332377564 "source-unit" "degree" } }