{ "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" [ [ 0.512656 0.892349 0.75 ] [ 0.620307 0.512656 0.25 ] [ 0.892349 0.379693 0.25 ] [ 0.107651 0.620307 0.75 ] [ 0.379693 0.487344 0.75 ] [ 0.487344 0.107651 0.25 ] [ 0.657847 0.719383 0.75 ] [ 0.938465 0.657847 0.25 ] [ 0.719383 0.061535 0.25 ] [ 0.280617 0.938465 0.75 ] [ 0.061535 0.342153 0.75 ] [ 0.342153 0.280617 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Se" "Se" "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" 10.1738103711 "source-unit" "angstrom" } "c" { "source-value" 3.48323874 "source-unit" "angstrom" } }