[ { "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" 4.045270472764969 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.045270472764969e-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" 110.19893558504693 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724987657 "si-unit" "kg / m s^2" "si-value" 110198935585.0469 } "c12" { "source-value" 61.37336743055667 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361897279 "si-unit" "kg / m s^2" "si-value" 61373367430.55667 } "c44" { "source-value" 32.627891846555535 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812551854 "si-unit" "kg / m s^2" "si-value" 32627891846.55553 } "excess" { "source-value" 0.027549437990147307 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091331 "si-unit" "kg / m s^2" "si-value" 27549437.99014731 } } { "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" 4.045270472764969 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.045270472764969e-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" 77.64855681538674 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578797457 "si-unit" "kg / m s^2" "si-value" 77648556815.38673 } } ]