{ "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-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.404452 0.404452 0.5 ] [ 0.595548 0 0.5 ] [ 0 0.595548 0.5 ] [ 0 0.25348 0 ] [ 0.25348 0 0 ] [ 0.74652 0.74652 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Cr" "Cr" "Cr" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.65633767 "source-unit" "angstrom" } "c" { "source-value" 3.31828375 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 212.44485704582152 "source-unit" "GPa" "source-std-uncert-value" 0.34260740116368993 } }