[ { "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 3.452464193105698 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.452464193105698e-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" 634.8052787964752 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307258421885 "si-unit" "kg / m s^2" "si-value" 634805278796.4752 } "c12" { "source-value" 315.7488933390325 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362190272 "si-unit" "kg / m s^2" "si-value" 315748893339.0325 } "c44" { "source-value" 135.90887876538613 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814234206 "si-unit" "kg / m s^2" "si-value" 135908878765.3861 } "excess" { "source-value" 0.09047495523145797 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133464 "si-unit" "kg / m s^2" "si-value" 90474955.23145798 } } { "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 3.452464193105698 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.452464193105698e-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" 422.1010218248467 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579121397 "si-unit" "kg / m s^2" "si-value" 422101021824.8467 } } ]