{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.517819 0.930685 0.746518 ] [ 0.982181 0.430685 0.753482 ] [ 0.017819 0.569315 0.246518 ] [ 0.482181 0.069315 0.253482 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.16367 0.27915 0.435334 ] [ 0.33633 0.77915 0.064666 ] [ 0.83633 0.72085 0.564666 ] [ 0.66367 0.22085 0.935334 ] [ 0.886042 0.953277 0.26756 ] [ 0.613958 0.453277 0.23244 ] [ 0.113958 0.046723 0.73244 ] [ 0.386042 0.546723 0.76756 ] [ 0.793549 0.673643 0.948803 ] [ 0.706451 0.173643 0.551197 ] [ 0.206451 0.326357 0.051197 ] [ 0.293549 0.826357 0.448803 ] ] } "species" { "source-value" [ "Na" "Na" "La" "La" "La" "La" "Ir" "Ir" "O" "O" "O" "O" "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" 5.63112788056 "source-unit" "angstrom" } "b" { "source-value" 6.02085175 "source-unit" "angstrom" } "c" { "source-value" 8.11469530824 "source-unit" "angstrom" } "beta" { "source-value" 90.7007973976 "source-unit" "degree" } }