[ { "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" 3.498696523904801 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.498696523904801e-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" 141.071701194219 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725037944 "si-unit" "kg / m s^2" "si-value" 141071701194.219 } "c12" { "source-value" 100.33590243809776 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361942157 "si-unit" "kg / m s^2" "si-value" 100335902438.0978 } "c44" { "source-value" 108.34506433001934 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813785216 "si-unit" "kg / m s^2" "si-value" 108345064330.0193 } "excess" { "source-value" 0.09149861860774543 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913347 "si-unit" "kg / m s^2" "si-value" 91498618.60774542 } } { "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" 3.498696523904801 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.498696523904801e-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" 113.9145020234715 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578831564 "si-unit" "kg / m s^2" "si-value" 113914502023.4715 } } ]