[ { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.646125234663486 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.646125234663486e-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" 215.3924893603214 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725159005 "si-unit" "kg / m s^2" "si-value" 215392489360.3214 } "c12" { "source-value" 145.19958756590157 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636199383 "si-unit" "kg / m s^2" "si-value" 145199587565.9016 } "c44" { "source-value" 146.2724813900555 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681440302 "si-unit" "kg / m s^2" "si-value" 146272481390.0555 } "excess" { "source-value" 0.534607119166352 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809136023 "si-unit" "kg / m s^2" "si-value" 534607119.166352 } } { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.646125234663486 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.646125234663486e-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" 168.59722149737485 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578882989 "si-unit" "kg / m s^2" "si-value" 168597221497.3748 } } ]