{ "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" [ [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.395781 0.304445 0.25 ] [ 0.091336 0.395781 0.75 ] [ 0.304445 0.908664 0.75 ] [ 0.695555 0.091336 0.25 ] [ 0.908664 0.604219 0.25 ] [ 0.604219 0.695555 0.75 ] ] } "species" { "source-value" [ "Gd" "Gd" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.5614641295 "source-unit" "angstrom" } "c" { "source-value" 4.07412516 "source-unit" "angstrom" } }