{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.825441 ] [ 0.5 0 0 ] [ 0.5 0.5 0.174559 ] [ 0 0.5 0 ] [ 0 0 0.325441 ] [ 0 0.5 0.5 ] [ 0 0 0.674559 ] [ 0.5 0 0.5 ] [ 0 0 0.135884 ] [ 0 0 0.864116 ] [ 0.5 0.5 0.635884 ] [ 0.5 0.5 0.364116 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.78370278 "source-unit" "angstrom" } "c" { "source-value" 16.74495034 "source-unit" "angstrom" } }