[ { "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" 3.2715697884559627 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.271569788455963e-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" 94.85302538083529 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307249626585 "si-unit" "kg / m s^2" "si-value" 94853025380.8353 } "c12" { "source-value" 110.97522669525574 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361954412 "si-unit" "kg / m s^2" "si-value" 110975226695.2557 } "c44" { "source-value" 53.06238681513978 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812884714 "si-unit" "kg / m s^2" "si-value" 53062386815.13978 } "excess" { "source-value" 0.09943143256902272 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133517 "si-unit" "kg / m s^2" "si-value" 99431432.56902272 } } { "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" 3.2715697884559627 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.271569788455963e-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" 105.60115959044892 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578823746 "si-unit" "kg / m s^2" "si-value" 105601159590.4489 } } ]