{ "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" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.0942 0.386515 0.75 ] [ 0.292315 0.9058 0.75 ] [ 0.386515 0.292315 0.25 ] [ 0.9058 0.613485 0.25 ] [ 0.613485 0.707685 0.75 ] [ 0.707685 0.0942 0.25 ] [ 0.805964 0.021899 0.25 ] [ 0.463829 0.02378 0.75 ] [ 0.215935 0.194036 0.25 ] [ 0.97622 0.440049 0.75 ] [ 0.802924 0.546857 0.448691 ] [ 0.197076 0.453143 0.551309 ] [ 0.021899 0.215935 0.75 ] [ 0.453143 0.256067 0.448691 ] [ 0.256067 0.802924 0.551309 ] [ 0.536171 0.97622 0.25 ] [ 0.194036 0.978101 0.75 ] [ 0.743933 0.197076 0.051309 ] [ 0.559951 0.536171 0.75 ] [ 0.546857 0.743933 0.551309 ] [ 0.784065 0.805964 0.75 ] [ 0.440049 0.463829 0.25 ] [ 0.02378 0.559951 0.25 ] [ 0.197076 0.453143 0.948691 ] [ 0.978101 0.784065 0.25 ] [ 0.546857 0.743933 0.948691 ] [ 0.256067 0.802924 0.948691 ] [ 0.453143 0.256067 0.051309 ] [ 0.743933 0.197076 0.448691 ] [ 0.802924 0.546857 0.051309 ] ] } "species" { "source-value" [ "Eu" "Eu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.62345559395 "source-unit" "angstrom" } "c" { "source-value" 5.9843081 "source-unit" "angstrom" } }