{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.725805 0.639669 0.75 ] [ 0.639669 0.913864 0.25 ] [ 0.086136 0.725805 0.25 ] [ 0.913864 0.274195 0.75 ] [ 0.360331 0.086136 0.75 ] [ 0.274195 0.360331 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.687009 0.57136 0.25 ] [ 0.57136 0.884351 0.75 ] [ 0.115649 0.687009 0.75 ] [ 0.884351 0.312991 0.25 ] [ 0.42864 0.115649 0.25 ] [ 0.312991 0.42864 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "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" 7.64266207 "source-unit" "angstrom" } "c" { "source-value" 5.32375968 "source-unit" "angstrom" } }