{ "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 0.181042 0.539797 ] [ 0.068958 0.5 0.289797 ] [ 0.931042 0 0.789797 ] [ 0.75 0.318958 0.039797 ] [ 0.931042 0.5 0.710203 ] [ 0.75 0.818958 0.460203 ] [ 0.25 0.681042 0.960203 ] [ 0.068958 0 0.210203 ] [ 0.75 0.681042 0.039797 ] [ 0.568958 0 0.789797 ] [ 0.431042 0.5 0.289797 ] [ 0.25 0.818958 0.539797 ] [ 0.431042 0 0.210203 ] [ 0.25 0.318958 0.960203 ] [ 0.75 0.181042 0.460203 ] [ 0.568958 0.5 0.710203 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Cr" "Cr" "Cr" "Cr" "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" 7.2454198877 "source-unit" "angstrom" } "c" { "source-value" 6.21215879754 "source-unit" "angstrom" } }