[ { "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" 4.025435209274292 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.025435209274292e-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" 110.18272946593358 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072498763 "si-unit" "kg / m s^2" "si-value" 110182729465.9336 } "c12" { "source-value" 57.31429457908948 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361892605 "si-unit" "kg / m s^2" "si-value" 57314294579.08948 } "c44" { "source-value" 39.7722118547397 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812668227 "si-unit" "kg / m s^2" "si-value" 39772211854.7397 } "excess" { "source-value" 2.960594732334403e-10 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.2960594732334403 } } { "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" 4.025435209274292 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.025435209274292e-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" 74.9371062080375 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787949085 "si-unit" "kg / m s^2" "si-value" 74937106208.0375 } } ]