{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.586308 0 ] [ 0.586308 0 0 ] [ 0.413692 0.413692 0 ] [ 0 0.243331 0.5 ] [ 0.756669 0.756669 0.5 ] [ 0.243331 0 0.5 ] [ 0.333333 0.666667 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.5 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Mg" "Mg" "Mg" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.5011130403 "source-unit" "angstrom" } "c" { "source-value" 3.95953929 "source-unit" "angstrom" } }