{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.234927 0.496074 0.220674 ] [ 0.234927 0.003926 0.220674 ] [ 0.765073 0.503926 0.779326 ] [ 0.765073 0.996074 0.779326 ] [ 0.780906 0.75 0.364937 ] [ 0.219094 0.25 0.635063 ] [ 0.713115 0.25 0.413283 ] [ 0.286885 0.75 0.586717 ] [ 0.727426 0.75 0.071661 ] [ 0.272574 0.25 0.928339 ] [ 0.289887 0.25 0.065382 ] [ 0.946743 0.75 0.146288 ] [ 0.528603 0.75 0.152905 ] [ 0.823498 0.069099 0.336806 ] [ 0.823498 0.430901 0.336806 ] [ 0.200893 0.75 0.420014 ] [ 0.420624 0.25 0.400561 ] [ 0.579376 0.75 0.599439 ] [ 0.799107 0.25 0.579986 ] [ 0.176502 0.569099 0.663194 ] [ 0.176502 0.930901 0.663194 ] [ 0.471397 0.25 0.847095 ] [ 0.053257 0.25 0.853712 ] [ 0.710113 0.75 0.934618 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sn" "Sn" "P" "P" "C" "C" "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" 5.32092322 "source-unit" "angstrom" } "b" { "source-value" 6.87703761 "source-unit" "angstrom" } "c" { "source-value" 9.19870171 "source-unit" "angstrom" } "beta" { "source-value" 92.66824307 "source-unit" "degree" } }