[ { "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" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 3.637506820261479 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.637506820261479e-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" 222.48813356408138 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725170563 "si-unit" "kg / m s^2" "si-value" 222488133564.0814 } "c12" { "source-value" 111.15263022889683 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361954616 "si-unit" "kg / m s^2" "si-value" 111152630228.8968 } "c44" { "source-value" 112.05052942685357 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813845576 "si-unit" "kg / m s^2" "si-value" 112050529426.8536 } "excess" { "source-value" 0.4522787392011245 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809135546 "si-unit" "kg / m s^2" "si-value" 452278739.2011245 } } { "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" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 3.637506820261479 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.637506820261479e-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" 148.26446467395834 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578863868 "si-unit" "kg / m s^2" "si-value" 148264464673.9583 } } ]