{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.333593 ] [ 0 0 0.666407 ] [ 0.5 0.5 0.166407 ] [ 0.5 0.5 0.833593 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.194085 0.805915 0.160067 ] [ 0.194085 0.805915 0.839933 ] [ 0.205336 0.794664 0.5 ] [ 0.294664 0.294664 0 ] [ 0.305915 0.305915 0.339933 ] [ 0.305915 0.305915 0.660067 ] [ 0.694085 0.694085 0.339933 ] [ 0.694085 0.694085 0.660067 ] [ 0.705336 0.705336 0 ] [ 0.794664 0.205336 0.5 ] [ 0.805915 0.194085 0.160067 ] [ 0.805915 0.194085 0.839933 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.66206437 "source-unit" "angstrom" } "c" { "source-value" 14.62393779 "source-unit" "angstrom" } }