{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R32" } "basis-atom-coordinates" { "source-value" [ [ 0.418671 0.085338 0.333333 ] [ 0.085338 0.418671 0.666667 ] [ 0.752004 0.752004 0 ] [ 0.914662 0.333333 0.333333 ] [ 0.581329 0.666667 0.666667 ] [ 0.247996 0 0 ] [ 0.666667 0.581329 0.333333 ] [ 0.333333 0.914662 0.666667 ] [ 0 0.247996 0 ] [ 0 0 0.258308 ] [ 0.666667 0.333333 0.591641 ] [ 0.333333 0.666667 0.924975 ] [ 0 0 0.741692 ] [ 0.666667 0.333333 0.075025 ] [ 0.333333 0.666667 0.408359 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.02633683953 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }