{ "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" [ [ 0.235668 0 0.25 ] [ 0.764332 0 0.75 ] [ 0 0.235668 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0 0.764332 0.75 ] [ 0.235668 0.235668 0.75 ] [ 0.333333 0.666667 0 ] [ 0.764332 0.764332 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.400287 0 0.75 ] [ 0 0.400287 0.75 ] [ 0.400287 0.400287 0.25 ] [ 0.599713 0 0.25 ] [ 0 0.599713 0.25 ] [ 0.599713 0.599713 0.75 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Ni" "Ni" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.99922174549 "source-unit" "angstrom" } "c" { "source-value" 6.56448679 "source-unit" "angstrom" } }