[ { "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" 4.116984039545059 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.116984039545059e-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" 125.6308783978513 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725012792 "si-unit" "kg / m s^2" "si-value" 125630878397.8513 } "c12" { "source-value" 103.3134856569016 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361945587 "si-unit" "kg / m s^2" "si-value" 103313485656.9016 } "c44" { "source-value" 74.04924809878203 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813226572 "si-unit" "kg / m s^2" "si-value" 74049248098.78203 } "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" 4.116984039545059 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.116984039545059e-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" 110.7526165705515 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578828591 "si-unit" "kg / m s^2" "si-value" 110752616570.5515 } } ]