[ { "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" 3.251303985714913 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.251303985714913e-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" 308.9197485361901 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725311354 "si-unit" "kg / m s^2" "si-value" 308919748536.1901 } "c12" { "source-value" 306.94697821753067 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362180133 "si-unit" "kg / m s^2" "si-value" 306946978217.5307 } "c44" { "source-value" 28.773078625779352 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812489067 "si-unit" "kg / m s^2" "si-value" 28773078625.77935 } "excess" { "source-value" 0.055692668402933944 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133265 "si-unit" "kg / m s^2" "si-value" 55692668.40293394 } } { "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" 3.251303985714913 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.251303985714913e-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" 307.60456832375047 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579013719 "si-unit" "kg / m s^2" "si-value" 307604568323.7505 } } ]