[ { "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" 4.2039153337478625 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.203915333747863e-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" 297.9911247643176 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725293551 "si-unit" "kg / m s^2" "si-value" 297991124764.3176 } "c12" { "source-value" 230.31384093391083 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362091866 "si-unit" "kg / m s^2" "si-value" 230313840933.9108 } "c44" { "source-value" 67.81204219309772 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813124974 "si-unit" "kg / m s^2" "si-value" 67812042193.09772 } "excess" { "source-value" 1.3968382006626946e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 13968.38200662695 } } { "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" 4.2039153337478625 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.203915333747863e-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" 252.8729355440464 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578962247 "si-unit" "kg / m s^2" "si-value" 252872935544.0464 } } ]