{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.59097 0 0.5 ] [ 0.40903 0.40903 0.5 ] [ 0 0.59097 0.5 ] [ 0.257685 0 0 ] [ 0.742315 0.742315 0 ] [ 0 0.257685 0 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "La" "La" "La" "Tl" "Tl" "Tl" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.04197686612 "source-unit" "angstrom" } "c" { "source-value" 4.0366612 "source-unit" "angstrom" } }