[ { "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" 4.111299753189087 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.111299753189087e-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" 138.35333007135105 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725033517 "si-unit" "kg / m s^2" "si-value" 138353330071.351 } "c12" { "source-value" 98.67956059930135 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361940249 "si-unit" "kg / m s^2" "si-value" 98679560599.30136 } "c44" { "source-value" 75.56330199910975 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813251231 "si-unit" "kg / m s^2" "si-value" 75563301999.10976 } "excess" { "source-value" 2.812564995717683e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2.812564995717683 } } { "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" 4.111299753189087 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.111299753189087e-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" 111.90415042331792 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578829673 "si-unit" "kg / m s^2" "si-value" 111904150423.3179 } } ]