[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 4.956557989120483 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.956557989120483e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" 55.41152045386409 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248984105 "si-unit" "kg / m s^2" "si-value" 55411520453.86409 } "c12" { "source-value" 36.61461660561686 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361868762 "si-unit" "kg / m s^2" "si-value" 36614616605.61686 } "c44" { "source-value" 36.7893257884414 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812619642 "si-unit" "kg / m s^2" "si-value" 36789325788.44141 } "excess" { "source-value" 0.08676869063993108 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133443 "si-unit" "kg / m s^2" "si-value" 86768690.63993108 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 4.956557989120483 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.956557989120483e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" 42.88025122169927 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578764759 "si-unit" "kg / m s^2" "si-value" 42880251221.69926 } } ]