[ { "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" 3.700475549697878 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.700475549697878e-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" 72.369109680908 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724926035 "si-unit" "kg / m s^2" "si-value" 72369109680.90799 } "c12" { "source-value" 67.76060969335707 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619046375 "si-unit" "kg / m s^2" "si-value" 67760609693.35707 } "c44" { "source-value" 39.38271582345996 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812661887 "si-unit" "kg / m s^2" "si-value" 39382715823.45996 } "excess" { "source-value" 0.016971342405491845 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133044 "si-unit" "kg / m s^2" "si-value" 16971342.40549184 } } { "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" 3.700475549697878 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.700475549697878e-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" 69.29677635587404 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578789604 "si-unit" "kg / m s^2" "si-value" 69296776355.87404 } } ]