[ { "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" 3.256346017122269 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.256346017122269e-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" 394.250634164774 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725450349 "si-unit" "kg / m s^2" "si-value" 394250634164.774 } "c12" { "source-value" 425.0199404368486 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863623161295 "si-unit" "kg / m s^2" "si-value" 425019940436.8486 } "c44" { "source-value" 22.114637553643387 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812380606 "si-unit" "kg / m s^2" "si-value" 22114637553.64339 } "excess" { "source-value" 0.09535124897062718 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133495 "si-unit" "kg / m s^2" "si-value" 95351248.97062717 } } { "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" 3.256346017122269 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.256346017122269e-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" 414.76350501282366 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579114496 "si-unit" "kg / m s^2" "si-value" 414763505012.8237 } } ]