{ "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" [ [ 0.515929 0.179768 0.405655 ] [ 0.484071 0.679768 0.094345 ] [ 0.484071 0.820232 0.594345 ] [ 0.515929 0.320232 0.905655 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.006523 0.19349 0.116164 ] [ 0.993477 0.69349 0.383836 ] [ 0.993477 0.80651 0.883836 ] [ 0.006523 0.30651 0.616164 ] [ 0.435597 0.953109 0.241016 ] [ 0.564403 0.453109 0.258984 ] [ 0.564403 0.046891 0.758984 ] [ 0.435597 0.546891 0.741016 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cr" "Cr" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.01498521867 "source-unit" "angstrom" } "b" { "source-value" 11.62515809 "source-unit" "angstrom" } "c" { "source-value" 7.00869091872 "source-unit" "angstrom" } "beta" { "source-value" 93.7455494313 "source-unit" "degree" } }