{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.670055 0.670055 0.75 ] [ 0 0.670055 0.25 ] [ 0.670055 0 0.25 ] [ 0.329945 0 0.75 ] [ 0 0.329945 0.75 ] [ 0.329945 0.329945 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.34388 0 0.416215 ] [ 0.34388 0.34388 0.916215 ] [ 0 0.65612 0.916215 ] [ 0 0.34388 0.416215 ] [ 0.65612 0.65612 0.416215 ] [ 0.34388 0 0.083785 ] [ 0.65612 0.65612 0.083785 ] [ 0.65612 0 0.916215 ] [ 0 0.34388 0.083785 ] [ 0 0.65612 0.583785 ] [ 0.65612 0 0.583785 ] [ 0.34388 0.34388 0.583785 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.10653810106 "source-unit" "angstrom" } "c" { "source-value" 7.07674441 "source-unit" "angstrom" } }