{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3c1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.840296 ] [ 0.666667 0.333333 0.659704 ] [ 0.666667 0.333333 0.159704 ] [ 0.333333 0.666667 0.340296 ] [ 0.671263 0.607555 0.916647 ] [ 0.936292 0.328737 0.916647 ] [ 0.392445 0.063708 0.916647 ] [ 0.607555 0.671263 0.583353 ] [ 0.328737 0.936292 0.583353 ] [ 0.063708 0.392445 0.583353 ] [ 0.328737 0.392445 0.083353 ] [ 0.063708 0.671263 0.083353 ] [ 0.607555 0.936292 0.083353 ] [ 0.392445 0.328737 0.416647 ] [ 0.671263 0.063708 0.416647 ] [ 0.936292 0.607555 0.416647 ] [ 0.303279 0.303279 0.75 ] [ 0 0.696721 0.75 ] [ 0.696721 0 0.75 ] [ 0.696721 0.696721 0.25 ] [ 0 0.303279 0.25 ] [ 0.303279 0 0.25 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.03118189 "source-unit" "angstrom" } "c" { "source-value" 7.57295813 "source-unit" "angstrom" } }