[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ti" "Ti" ] } "a" { "source-value" 3.25908213108778 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.25908213108778e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 19.231452893587164 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248394776 "si-unit" "kg / m s^2" "si-value" 19231452893.58717 } "c12" { "source-value" 132.24839837340193 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361978913 "si-unit" "kg / m s^2" "si-value" 132248398373.4019 } "c44" { "source-value" 51.31201731305825 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812856202 "si-unit" "kg / m s^2" "si-value" 51312017313.05825 } "excess" { "source-value" 0.011673512378964987 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913301 "si-unit" "kg / m s^2" "si-value" 11673512.37896499 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ti" "Ti" ] } "a" { "source-value" 3.25908213108778 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.25908213108778e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 94.57608321346368 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578813376 "si-unit" "kg / m s^2" "si-value" 94576083213.46367 } } ]