{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.95012 0.004805 0.17075 ] [ 0.45012 0.995195 0.32925 ] [ 0.04988 0.504805 0.82925 ] [ 0.54988 0.495195 0.67075 ] [ 0.04988 0.995195 0.82925 ] [ 0.54988 0.004805 0.67075 ] [ 0.95012 0.495195 0.17075 ] [ 0.45012 0.504805 0.32925 ] [ 0.569742 0.75 0.997223 ] [ 0.069742 0.25 0.502777 ] [ 0.430258 0.25 0.002777 ] [ 0.930258 0.75 0.497223 ] [ 0.337343 0.958879 0.078994 ] [ 0.837343 0.041121 0.421006 ] [ 0.662657 0.458879 0.921006 ] [ 0.162657 0.541121 0.578994 ] [ 0.662657 0.041121 0.921006 ] [ 0.162657 0.958879 0.578994 ] [ 0.337343 0.541121 0.078994 ] [ 0.837343 0.458879 0.421006 ] [ 0.372192 0.75 0.822601 ] [ 0.872192 0.25 0.677399 ] [ 0.627808 0.25 0.177399 ] [ 0.127808 0.75 0.322601 ] [ 0.080794 0.25 0.006987 ] [ 0.580794 0.75 0.493013 ] [ 0.919206 0.75 0.993013 ] [ 0.419206 0.25 0.506987 ] [ 0.663113 0.75 0.20325 ] [ 0.163113 0.25 0.29675 ] [ 0.336887 0.25 0.79675 ] [ 0.836887 0.75 0.70325 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "U" "U" "U" "U" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.15593797 "source-unit" "angstrom" } "b" { "source-value" 8.81293952 "source-unit" "angstrom" } "c" { "source-value" 13.04411236 "source-unit" "angstrom" } }