{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.875 ] [ 0.75 0 0.125 ] [ 0.75 0.5 0.375 ] [ 0.25 0.5 0.625 ] [ 0.25 0.5 0.125 ] [ 0.75 0.5 0.875 ] [ 0.75 0 0.625 ] [ 0.25 0 0.375 ] [ 0.25 0.187959 0.553462 ] [ 0.062041 0.5 0.303462 ] [ 0.937959 0 0.803462 ] [ 0.75 0.312041 0.053462 ] [ 0.937959 0.5 0.696538 ] [ 0.75 0.812041 0.446538 ] [ 0.25 0.687959 0.946538 ] [ 0.062041 0 0.196538 ] [ 0.75 0.687959 0.053462 ] [ 0.562041 0 0.803462 ] [ 0.437959 0.5 0.303462 ] [ 0.25 0.812041 0.553462 ] [ 0.437959 0 0.196538 ] [ 0.25 0.312041 0.946538 ] [ 0.75 0.187959 0.446538 ] [ 0.562041 0.5 0.696538 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "V" "V" "V" "V" "O" "O" "O" "O" "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" 7.06937700253 "source-unit" "angstrom" } "c" { "source-value" 6.27974414964 "source-unit" "angstrom" } }