[ { "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" [ "Se" "Se" ] } "a" { "source-value" 2.911266475915909 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.911266475915909e-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" 273.16782289812477 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725253116 "si-unit" "kg / m s^2" "si-value" 273167822898.1248 } "c12" { "source-value" 234.98476066313347 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620972464 "si-unit" "kg / m s^2" "si-value" 234984760663.1335 } "c44" { "source-value" 203.1775371073837 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826815329944 "si-unit" "kg / m s^2" "si-value" 203177537107.3837 } "excess" { "source-value" 0.11425983241037496 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133603 "si-unit" "kg / m s^2" "si-value" 114259832.410375 } } { "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" [ "Se" "Se" ] } "a" { "source-value" 2.911266475915909 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.911266475915909e-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" 247.7124480747972 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578957393 "si-unit" "kg / m s^2" "si-value" 247712448074.7972 } } ]