{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.436603 ] [ 0.333333 0.666667 0.563397 ] [ 0.236063 0.185136 0.81515 ] [ 0.814864 0.050927 0.81515 ] [ 0.949073 0.763937 0.81515 ] [ 0.050927 0.236063 0.18485 ] [ 0.763937 0.814864 0.18485 ] [ 0.185136 0.949073 0.18485 ] [ 0.692148 0.076648 0.701113 ] [ 0.3845 0.307852 0.701113 ] [ 0.923352 0.6155 0.701113 ] [ 0.307852 0.923352 0.298887 ] [ 0.076648 0.3845 0.298887 ] [ 0.6155 0.692148 0.298887 ] ] } "species" { "source-value" [ "Fe" "Pb" "Pb" "C" "C" "C" "C" "C" "C" "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" 7.14527114816 "source-unit" "angstrom" } "c" { "source-value" 5.81097323 "source-unit" "angstrom" } }