{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.753943 0.25 ] [ 0.5 0.246057 0.75 ] [ 0 0.253943 0.25 ] [ 0 0.746057 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.958613 0.75 ] [ 0.5 0.041387 0.25 ] [ 0 0.458613 0.75 ] [ 0 0.541387 0.25 ] [ 0.5 0.878098 0.539672 ] [ 0.5 0.121902 0.460328 ] [ 0.5 0.121902 0.039672 ] [ 0 0.062837 0.75 ] [ 0 0.937163 0.25 ] [ 0.5 0.878098 0.960328 ] [ 0 0.378098 0.539672 ] [ 0 0.621902 0.460328 ] [ 0 0.621902 0.039672 ] [ 0.5 0.562837 0.75 ] [ 0.5 0.437163 0.25 ] [ 0 0.378098 0.960328 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "U" "U" "U" "U" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.2758401 "source-unit" "angstrom" } "b" { "source-value" 15.43053028 "source-unit" "angstrom" } "c" { "source-value" 10.92069595 "source-unit" "angstrom" } }