{ "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 0.5 ] [ 0.666667 0.333333 0.148125 ] [ 0.333333 0.666667 0.851875 ] [ 0.666667 0.333333 0.705632 ] [ 0 0 0 ] [ 0.333333 0.666667 0.294368 ] ] } "species" { "source-value" [ "Na" "Ti" "Ti" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.05749817 "source-unit" "angstrom" } "c" { "source-value" 7.80134154 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 141.56733332418833 "source-unit" "GPa" "source-std-uncert-value" 1.4536120173499967 } }