{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.176008 0.906699 ] [ 0 0.823992 0.093301 ] [ 0.5 0.176008 0.093301 ] [ 0.5 0.823992 0.906699 ] [ 0.5 0.676008 0.406699 ] [ 0.5 0.323992 0.593301 ] [ 0 0.676008 0.593301 ] [ 0 0.323992 0.406699 ] [ 0.25 0 0 ] [ 0.75 0 0 ] [ 0.75 0.5 0.5 ] [ 0.25 0.5 0.5 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0 0.179837 0.201119 ] [ 0 0.820163 0.798881 ] [ 0.5 0.179837 0.798881 ] [ 0.5 0.820163 0.201119 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.5 0.679837 0.701119 ] [ 0.5 0.320163 0.298881 ] [ 0 0.679837 0.298881 ] [ 0 0.320163 0.701119 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "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" 6.20435290863 "source-unit" "angstrom" } "b" { "source-value" 6.90772836501 "source-unit" "angstrom" } "c" { "source-value" 13.7336400869 "source-unit" "angstrom" } }