{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42d" } "basis-atom-coordinates" { "source-value" [ [ 0.374162 0.75 0.875 ] [ 0.75 0.874162 0.625 ] [ 0.125838 0.75 0.375 ] [ 0.25 0.125838 0.625 ] [ 0.874162 0.25 0.375 ] [ 0.25 0.374162 0.125 ] [ 0.625838 0.25 0.875 ] [ 0.75 0.625838 0.125 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0.5 ] [ 0.573352 0.175173 0.554241 ] [ 0.824827 0.926648 0.304241 ] [ 0.426648 0.675173 0.195759 ] [ 0.324827 0.073352 0.945759 ] [ 0.675173 0.573352 0.804241 ] [ 0.073352 0.824827 0.695759 ] [ 0.675173 0.926648 0.945759 ] [ 0.426648 0.824827 0.554241 ] [ 0.073352 0.675173 0.054241 ] [ 0.324827 0.426648 0.804241 ] [ 0.926648 0.175173 0.695759 ] [ 0.824827 0.573352 0.445759 ] [ 0.175173 0.073352 0.304241 ] [ 0.573352 0.324827 0.195759 ] [ 0.175173 0.426648 0.445759 ] [ 0.926648 0.324827 0.054241 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Sm" "Sm" "Sm" "Sm" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.39232225373 "source-unit" "angstrom" } "c" { "source-value" 8.35269340472 "source-unit" "angstrom" } }