[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 6.638404321670538 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.638404321670538e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -744854.0821583752 "source-unit" "GPa" "source-std-uncert-value" 0.007335931938197846 "si-unit" "kg / m s^2" "si-value" -744854082158375.1 } "c12" { "source-value" 107.08295941877083 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361949928 "si-unit" "kg / m s^2" "si-value" 107082959418.7708 } "c44" { "source-value" -279350.76210194017 "source-unit" "GPa" "source-std-uncert-value" 0.001833983136237567 "si-unit" "kg / m s^2" "si-value" -279350762101940.2 } "excess" { "source-value" 46121.84496180628 "source-unit" "GPa" "source-std-uncert-value" 0.002593643207475073 "si-unit" "kg / m s^2" "si-value" 46121844961806.28 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 6.638404321670538 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.638404321670538e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -248213.30541317922 "source-unit" "GPa" "source-std-uncert-value" 0.004235401812308539 "si-unit" "kg / m s^2" "si-value" -248213305413179.2 } } ]