{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.824079 0.675921 0.5 ] [ 0.324079 0.824079 0.5 ] [ 0.175921 0.324079 0.5 ] [ 0.675921 0.175921 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.10935 0.60935 0 ] [ 0.60935 0.89065 0 ] [ 0.39065 0.10935 0 ] [ 0.89065 0.39065 0 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "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" 7.93297709 "source-unit" "angstrom" } "c" { "source-value" 4.43909452 "source-unit" "angstrom" } }