{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.376927 ] [ 0.333333 0.666667 0.623073 ] [ 0.666667 0.333333 0.723244 ] [ 0.333333 0.666667 0.276756 ] ] } "species" { "source-value" [ "Ba" "Mg" "Mg" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.39060323 "source-unit" "angstrom" } "c" { "source-value" 7.62054818 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 51.046998546746146 "source-unit" "GPa" "source-std-uncert-value" 0.00951410397308905 } }