[ { "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" 3.605663573741914 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.605663573741914e-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" 142.5752076039621 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725040394 "si-unit" "kg / m s^2" "si-value" 142575207603.9621 } "c12" { "source-value" 106.11407479113161 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361948812 "si-unit" "kg / m s^2" "si-value" 106114074791.1316 } "c44" { "source-value" 74.49515499389376 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813233832 "si-unit" "kg / m s^2" "si-value" 74495154993.89377 } "excess" { "source-value" 0.26023642663025776 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913444 "si-unit" "kg / m s^2" "si-value" 260236426.6302578 } } { "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" 3.605663573741914 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.605663573741914e-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" 118.26778572874176 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578835658 "si-unit" "kg / m s^2" "si-value" 118267785728.7418 } } ]