{ "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" [ [ 0.785974 0.342984 0.374711 ] [ 0.714026 0.842984 0.125289 ] [ 0.214026 0.657016 0.625289 ] [ 0.285974 0.157016 0.874711 ] [ 0.281105 0.4865 0.136733 ] [ 0.218895 0.9865 0.363267 ] [ 0.718895 0.5135 0.863267 ] [ 0.781105 0.0135 0.636733 ] [ 0.292103 0.302925 0.538144 ] [ 0.707897 0.697075 0.461856 ] [ 0.792103 0.197075 0.038144 ] [ 0.207897 0.802925 0.961856 ] [ 0.916065 0.818454 0.431921 ] [ 0.583935 0.318454 0.068079 ] [ 0.083935 0.181546 0.568079 ] [ 0.416065 0.681546 0.931921 ] [ 0.313781 0.929928 0.101496 ] [ 0.813781 0.570072 0.601496 ] [ 0.186219 0.429928 0.398504 ] [ 0.686219 0.070072 0.898504 ] [ 0.116432 0.893039 0.793114 ] [ 0.383568 0.393039 0.706886 ] [ 0.883568 0.106961 0.206886 ] [ 0.616432 0.606961 0.293114 ] [ 0.004579 0.695078 0.020344 ] [ 0.495421 0.195078 0.479656 ] [ 0.995421 0.304922 0.979656 ] [ 0.504579 0.804922 0.520344 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Be" "Be" "Be" "Be" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.6297432693 "source-unit" "angstrom" } "b" { "source-value" 8.10679719 "source-unit" "angstrom" } "c" { "source-value" 8.02258634824 "source-unit" "angstrom" } "beta" { "source-value" 99.8507662361 "source-unit" "degree" } }