{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.260508 ] [ 0.333333 0.666667 0.739492 ] [ 0 0 0 ] [ 0.833052 0.166948 0.763226 ] [ 0.833052 0.666103 0.763226 ] [ 0.333897 0.166948 0.763226 ] [ 0.166948 0.833052 0.236774 ] [ 0.166948 0.333897 0.236774 ] [ 0.666103 0.833052 0.236774 ] ] } "species" { "source-value" [ "Cs" "Cs" "Th" "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" 7.79165853359 "source-unit" "angstrom" } "c" { "source-value" 6.23791131 "source-unit" "angstrom" } }