{ "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" [ [ 0.5 0.25 0.125 ] [ 0 0.25 0.375 ] [ 0 0.75 0.625 ] [ 0.5 0.75 0.875 ] [ 0 0.75 0.209047 ] [ 0.5 0.75 0.459047 ] [ 0 0.75 0.040953 ] [ 0.5 0.75 0.290953 ] [ 0.5 0.25 0.709047 ] [ 0 0.25 0.959047 ] [ 0.5 0.25 0.540953 ] [ 0 0.25 0.790953 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.45776149685 "source-unit" "angstrom" } "c" { "source-value" 13.871700857 "source-unit" "angstrom" } }