[ { "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" 4.044650763273239 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.044650763273239e-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" 114.3344400418552 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724994391 "si-unit" "kg / m s^2" "si-value" 114334440041.8552 } "c12" { "source-value" 61.91544321688922 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361897902 "si-unit" "kg / m s^2" "si-value" 61915443216.88922 } "c44" { "source-value" 31.553121374527475 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681253435 "si-unit" "kg / m s^2" "si-value" 31553121374.52747 } "excess" { "source-value" 0.007367896367092151 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132987 "si-unit" "kg / m s^2" "si-value" 7367896.36709215 } } { "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" 4.044650763273239 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.044650763273239e-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" 79.38844215854455 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578799093 "si-unit" "kg / m s^2" "si-value" 79388442158.54456 } } ]