[ { "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 4.148337155580521 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.148337155580521e-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" 145.16329815531392 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307250446095 "si-unit" "kg / m s^2" "si-value" 145163298155.3139 } "c12" { "source-value" 86.8952200399256 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361926676 "si-unit" "kg / m s^2" "si-value" 86895220039.9256 } "c44" { "source-value" 65.16663856657124 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813081883 "si-unit" "kg / m s^2" "si-value" 65166638566.57124 } "excess" { "source-value" 0.044918592697257925 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133204 "si-unit" "kg / m s^2" "si-value" 44918592.69725793 } } { "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 4.148337155580521 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.148337155580521e-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" 106.31791274505504 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157882442 "si-unit" "kg / m s^2" "si-value" 106317912745.055 } } ]