{ "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" [ [ 0.83619 0.303902 0.345164 ] [ 0.33619 0.196098 0.345164 ] [ 0.16381 0.696098 0.654836 ] [ 0.66381 0.803902 0.654836 ] [ 0.304567 0.153863 0.891969 ] [ 0.195433 0.653863 0.108031 ] [ 0.695433 0.846137 0.108031 ] [ 0.804567 0.346137 0.891969 ] [ 0.943859 0.808985 0.875092 ] [ 0.056141 0.191015 0.124908 ] [ 0.556141 0.308985 0.124908 ] [ 0.443859 0.691015 0.875092 ] [ 0.379772 0.713908 0.411317 ] [ 0.120228 0.213908 0.588683 ] [ 0.620228 0.286092 0.588683 ] [ 0.879772 0.786092 0.411317 ] [ 0.408964 0.865932 0.752539 ] [ 0.091036 0.365932 0.247461 ] [ 0.591036 0.134068 0.247461 ] [ 0.908964 0.634068 0.752539 ] [ 0.31719 0.506958 0.83953 ] [ 0.18281 0.006958 0.16047 ] [ 0.68281 0.493042 0.16047 ] [ 0.81719 0.993042 0.83953 ] [ 0.127184 0.86579 0.875149 ] [ 0.576838 0.19616 0.977992 ] [ 0.872816 0.13421 0.124851 ] [ 0.627184 0.63421 0.875149 ] [ 0.076838 0.30384 0.977992 ] [ 0.423162 0.80384 0.022008 ] [ 0.923162 0.69616 0.022008 ] [ 0.372816 0.36579 0.124851 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Si" "Si" "Si" "Si" "Te" "Te" "Te" "Te" "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" 8.70397951567 "source-unit" "angstrom" } "b" { "source-value" 6.39481177 "source-unit" "angstrom" } "c" { "source-value" 9.89361217383 "source-unit" "angstrom" } "beta" { "source-value" 95.492727982 "source-unit" "degree" } }