[ { "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" [ "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" 4.3175470530986795 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.31754705309868e-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" 272.9272788008913 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725252726 "si-unit" "kg / m s^2" "si-value" 272927278800.8913 } "c12" { "source-value" 154.52902938705972 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620045775 "si-unit" "kg / m s^2" "si-value" 154529029387.0597 } "c44" { "source-value" 53.182388935528614 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812886668 "si-unit" "kg / m s^2" "si-value" 53182388935.52862 } "excess" { "source-value" 1.3019511394913768e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 13019.51139491377 } } { "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" [ "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" 4.3175470530986795 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.31754705309868e-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" 193.9951125250036 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578906876 "si-unit" "kg / m s^2" "si-value" 193995112525.0036 } } ]