{ "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 ] [ 0.5 0.5 0.5 ] [ 0 0 0.332895 ] [ 0 0 0.667105 ] [ 0.5 0.5 0.167105 ] [ 0.5 0.5 0.832895 ] [ 0.201468 0.798532 0.172265 ] [ 0.201468 0.798532 0.827735 ] [ 0.190899 0.809101 0.5 ] [ 0.309101 0.309101 0 ] [ 0.298532 0.298532 0.327735 ] [ 0.298532 0.298532 0.672265 ] [ 0.701468 0.701468 0.327735 ] [ 0.701468 0.701468 0.672265 ] [ 0.690899 0.690899 0 ] [ 0.809101 0.190899 0.5 ] [ 0.798532 0.201468 0.172265 ] [ 0.798532 0.201468 0.827735 ] ] } "species" { "source-value" [ "Sr" "Sr" "Ca" "Ca" "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" 7.563865 "source-unit" "angstrom" } "c" { "source-value" 14.385752 "source-unit" "angstrom" } }