[ { "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" 4.11129978299141 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.11129978299141e-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" 138.35332408621275 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725033517 "si-unit" "kg / m s^2" "si-value" 138353324086.2127 } "c12" { "source-value" 98.67955708566753 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361940249 "si-unit" "kg / m s^2" "si-value" 98679557085.66753 } "c44" { "source-value" 75.56329924930937 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813251231 "si-unit" "kg / m s^2" "si-value" 75563299249.30937 } "excess" { "source-value" 2.6645352591009626e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2.664535259100963 } } { "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" 4.11129978299141 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.11129978299141e-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" 111.90414608584925 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578829673 "si-unit" "kg / m s^2" "si-value" 111904146085.8492 } } ]