{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.67186 0.309206 0.671926 ] [ 0.32814 0.690794 0.328074 ] [ 0.408698 0.238391 0.100897 ] [ 0.229969 0.124384 0.526911 ] [ 0 0 0 ] [ 0.107245 0.521342 0.773018 ] [ 0.892755 0.478658 0.226982 ] [ 0.591302 0.761609 0.899103 ] [ 0.770031 0.875616 0.473089 ] [ 0.070794 0.295598 0.044751 ] [ 0.779273 0.611883 0.702424 ] [ 0.527709 0.005306 0.663204 ] [ 0.646548 0.581083 0.428859 ] [ 0.929206 0.704402 0.955249 ] [ 0.124236 0.805574 0.545998 ] [ 0.353452 0.418917 0.571141 ] [ 0.974316 0.786774 0.256862 ] [ 0.668055 0.087537 0.940111 ] [ 0.220727 0.388117 0.297576 ] [ 0.025684 0.213226 0.743138 ] [ 0.423741 0.496727 0.858119 ] [ 0.472291 0.994694 0.336796 ] [ 0.576259 0.503273 0.141881 ] [ 0.875764 0.194426 0.454002 ] [ 0.331945 0.912463 0.059889 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "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" 6.88355093494 "source-unit" "angstrom" } "b" { "source-value" 7.011363885 "source-unit" "angstrom" } "c" { "source-value" 9.14782761348 "source-unit" "angstrom" } "alpha" { "source-value" 74.0445527801 "source-unit" "degree" } "beta" { "source-value" 80.8349905209 "source-unit" "degree" } "gamma" { "source-value" 81.3941960358 "source-unit" "degree" } }