{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.872715 0.627285 0 ] [ 0.372715 0.872715 0 ] [ 0.127285 0.372715 0 ] [ 0.127285 0.627285 0.5 ] [ 0.372715 0.127285 0.5 ] [ 0.872715 0.372715 0.5 ] [ 0.627285 0.872715 0.5 ] [ 0.627285 0.127285 0 ] [ 0.332172 0.832172 0.5 ] [ 0.332172 0.167828 0 ] [ 0.667828 0.832172 0 ] [ 0.667828 0.167828 0.5 ] [ 0.832172 0.332172 0 ] [ 0.832172 0.667828 0.5 ] [ 0.167828 0.332172 0.5 ] [ 0.167828 0.667828 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.6199564294 "source-unit" "angstrom" } "c" { "source-value" 7.63342367283 "source-unit" "angstrom" } }