{ "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 0 0 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.25 ] [ 0.125589 0.75 0.375 ] [ 0.75 0.874411 0.625 ] [ 0.374411 0.75 0.875 ] [ 0.25 0.125589 0.625 ] [ 0.625589 0.25 0.875 ] [ 0.25 0.374411 0.125 ] [ 0.874411 0.25 0.375 ] [ 0.75 0.625589 0.125 ] [ 0.423912 0.672163 0.190576 ] [ 0.672163 0.923912 0.940576 ] [ 0.672163 0.576088 0.809424 ] [ 0.327837 0.076088 0.940576 ] [ 0.827837 0.923912 0.309424 ] [ 0.076088 0.827837 0.690576 ] [ 0.423912 0.827837 0.559424 ] [ 0.576088 0.172163 0.559424 ] [ 0.923912 0.172163 0.690576 ] [ 0.172163 0.423912 0.440576 ] [ 0.172163 0.076088 0.309424 ] [ 0.827837 0.576088 0.440576 ] [ 0.327837 0.423912 0.809424 ] [ 0.576088 0.327837 0.190576 ] [ 0.923912 0.327837 0.059424 ] [ 0.076088 0.672163 0.059424 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Se" "Se" "Se" "Se" "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" 9.00645995234 "source-unit" "angstrom" } "c" { "source-value" 8.9843224481 "source-unit" "angstrom" } }