{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.517428 ] [ 0 0.5 0.482572 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.774665 0 0.779437 ] [ 0 0.225335 0.220563 ] [ 0.5 0.274665 0.779437 ] [ 0.274665 0.5 0.220563 ] [ 0.725335 0.5 0.220563 ] [ 0.225335 0 0.779437 ] [ 0 0.774665 0.220563 ] [ 0.5 0.725335 0.779437 ] ] } "species" { "source-value" [ "Bi" "Bi" "Pd" "Pd" "Pd" "Pd" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.87965894 "source-unit" "angstrom" } "c" { "source-value" 4.6187661 "source-unit" "angstrom" } }