{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.699403 0.02925 0.75 ] [ 0.199403 0.47075 0.75 ] [ 0.800597 0.52925 0.25 ] [ 0.300597 0.97075 0.25 ] [ 0.855235 0.665025 0.882325 ] [ 0.355235 0.834975 0.617675 ] [ 0.644765 0.165025 0.117675 ] [ 0.144765 0.334975 0.382325 ] [ 0.144765 0.334975 0.117675 ] [ 0.644765 0.165025 0.382325 ] [ 0.355235 0.834975 0.882325 ] [ 0.855235 0.665025 0.617675 ] [ 0.000675 0.169789 0.904718 ] [ 0.500675 0.330211 0.595282 ] [ 0.499325 0.669789 0.095282 ] [ 0.999325 0.830211 0.404718 ] [ 0.999325 0.830211 0.095282 ] [ 0.499325 0.669789 0.404718 ] [ 0.500675 0.330211 0.904718 ] [ 0.000675 0.169789 0.595282 ] [ 0.042006 0.870729 0.75 ] [ 0.542006 0.629271 0.75 ] [ 0.457994 0.370729 0.25 ] [ 0.957994 0.129271 0.25 ] [ 0.830299 0.369278 0.75 ] [ 0.330299 0.130722 0.75 ] [ 0.669701 0.869278 0.25 ] [ 0.169701 0.630722 0.25 ] [ 0.803833 0.457641 0.033132 ] [ 0.303833 0.042359 0.466868 ] [ 0.696167 0.957641 0.966868 ] [ 0.196167 0.542359 0.533132 ] [ 0.196167 0.542359 0.966868 ] [ 0.696167 0.957641 0.533132 ] [ 0.303833 0.042359 0.033132 ] [ 0.803833 0.457641 0.466868 ] ] } "species" { "source-value" [ "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.83549781 "source-unit" "angstrom" } "b" { "source-value" 7.52533778 "source-unit" "angstrom" } "c" { "source-value" 14.13705674 "source-unit" "angstrom" } }