{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.533982 0.533982 0 ] [ 0 0.466018 0.666667 ] [ 0.466018 0 0.333333 ] [ 0.533975 0.533975 0.5 ] [ 0 0.466025 0.166667 ] [ 0.466025 0 0.833333 ] [ 0.250469 0.416603 0.119956 ] [ 0.583397 0.833867 0.45329 ] [ 0.166133 0.749531 0.786623 ] [ 0.833867 0.583397 0.54671 ] [ 0.749531 0.166133 0.213377 ] [ 0.416603 0.250469 0.880044 ] [ 0.419105 0.303298 0.400814 ] [ 0.696702 0.115807 0.734147 ] [ 0.884193 0.580895 0.06748 ] [ 0.115807 0.696702 0.265853 ] [ 0.580895 0.884193 0.93252 ] [ 0.303298 0.419105 0.599186 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "P" "P" "P" "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" 5.20019317133 "source-unit" "angstrom" } "c" { "source-value" 11.54867412 "source-unit" "angstrom" } }