[ { "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" 4.040926471352577 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.040926471352577e-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" 117.13686122171153 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724998958 "si-unit" "kg / m s^2" "si-value" 117136861221.7115 } "c12" { "source-value" 63.05816347427126 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636189922 "si-unit" "kg / m s^2" "si-value" 63058163474.27126 } "c44" { "source-value" 41.19572853260757 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812691419 "si-unit" "kg / m s^2" "si-value" 41195728532.60757 } "excess" { "source-value" 0.14285131255678912 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133764 "si-unit" "kg / m s^2" "si-value" 142851312.5567891 } } { "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" 4.040926471352577 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.040926471352577e-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" 81.08439605675134 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788006886 "si-unit" "kg / m s^2" "si-value" 81084396056.75134 } } ]