[ { "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.045259781181812 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.045259781181812e-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" 110.13502654935375 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724987552 "si-unit" "kg / m s^2" "si-value" 110135026549.3538 } "c12" { "source-value" 61.33968349550805 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361897241 "si-unit" "kg / m s^2" "si-value" 61339683495.50805 } "c44" { "source-value" 32.61457351582098 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812551643 "si-unit" "kg / m s^2" "si-value" 32614573515.82098 } "excess" { "source-value" 0.02755597143060262 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091331 "si-unit" "kg / m s^2" "si-value" 27555971.43060262 } } { "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" 4.045259781181812 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.045259781181812e-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" 77.60479784678995 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578797417 "si-unit" "kg / m s^2" "si-value" 77604797846.78995 } } ]