[ { "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" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 5.580486714839936 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.580486714839937e-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" 23.48461756892664 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724846407 "si-unit" "kg / m s^2" "si-value" 23484617568.92664 } "c12" { "source-value" 15.703039967455274 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361844676 "si-unit" "kg / m s^2" "si-value" 15703039967.45527 } "c44" { "source-value" 10.104209762646185 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812184968 "si-unit" "kg / m s^2" "si-value" 10104209762.64618 } "excess" { "source-value" 1.611155653336382e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1611.155653336382 } } { "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" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 5.580486714839936 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.580486714839937e-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" 18.29689916794573 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157874164 "si-unit" "kg / m s^2" "si-value" 18296899167.94573 } } ]