{ "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 0.377061 ] [ 0.333333 0.666667 0.622939 ] [ 0.666667 0.333333 0.727045 ] [ 0.333333 0.666667 0.272955 ] ] } "species" { "source-value" [ "Ba" "Mg" "Mg" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.52214788 "source-unit" "angstrom" } "c" { "source-value" 7.79254985 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 44.999065744341344 "source-unit" "GPa" "source-std-uncert-value" 0.0011647849953675404 } }