[ { "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 4.315001985430717 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.315001985430717e-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" 93.79827533826965 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072496094 "si-unit" "kg / m s^2" "si-value" 93798275338.26965 } "c12" { "source-value" 59.916087544459565 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618956004 "si-unit" "kg / m s^2" "si-value" 59916087544.45956 } "c44" { "source-value" 50.31487199222601 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681283996 "si-unit" "kg / m s^2" "si-value" 50314871992.22601 } "excess" { "source-value" 0.04619417381946841 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913321 "si-unit" "kg / m s^2" "si-value" 46194173.81946841 } } { "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 4.315001985430717 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.315001985430717e-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" 71.21015014239626 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578791402 "si-unit" "kg / m s^2" "si-value" 71210150142.39626 } } ]