{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.25702 0.25702 0 ] [ 0.25702 0.74298 0 ] [ 0.74298 0.25702 0 ] [ 0.74298 0.74298 0 ] [ 0 0 0.776204 ] [ 0 0 0.223796 ] [ 0.75702 0.75702 0.5 ] [ 0.75702 0.24298 0.5 ] [ 0.24298 0.75702 0.5 ] [ 0.24298 0.24298 0.5 ] [ 0.5 0.5 0.276204 ] [ 0.5 0.5 0.723796 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "U" "U" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.80770111 "source-unit" "angstrom" } "c" { "source-value" 9.13232457 "source-unit" "angstrom" } }