{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.5 ] [ 0 0 0 ] [ 0 0 0.249884 ] [ 0 0 0.750116 ] [ 0.333333 0.666667 0.313589 ] [ 0.333333 0.666667 0.063604 ] [ 0.333333 0.666667 0.686411 ] [ 0.666667 0.333333 0.186294 ] [ 0.666667 0.333333 0.436408 ] [ 0.666667 0.333333 0.563592 ] [ 0.333333 0.666667 0.936396 ] [ 0.666667 0.333333 0.813706 ] ] } "species" { "source-value" [ "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" 3.48488547027 "source-unit" "angstrom" } "c" { "source-value" 26.45499861 "source-unit" "angstrom" } }