{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.324587 ] [ 0 0 0.824587 ] [ 0.333333 0.666667 0.213093 ] [ 0.666667 0.333333 0.713093 ] [ 0.333333 0.666667 0.713093 ] [ 0.666667 0.333333 0.213093 ] [ 0.282733 0.282733 0.085478 ] [ 0 0.282733 0.585478 ] [ 0.282733 0 0.585478 ] [ 0.717267 0 0.085478 ] [ 0 0.717267 0.085478 ] [ 0.717267 0.717267 0.585478 ] [ 0.374747 0.374747 0.42916 ] [ 0 0.374747 0.92916 ] [ 0.374747 0 0.92916 ] [ 0.625253 0 0.42916 ] [ 0 0.625253 0.42916 ] [ 0.625253 0.625253 0.92916 ] [ 0.327628 0.327628 0.757037 ] [ 0 0.327628 0.257037 ] [ 0.327628 0 0.257037 ] [ 0.672372 0 0.757037 ] [ 0 0.672372 0.757037 ] [ 0.672372 0.672372 0.257037 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.94881983933 "source-unit" "angstrom" } "c" { "source-value" 8.42997687 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 69.63756485664874 "source-unit" "GPa" "source-std-uncert-value" 0.009432171437580905 } }