[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" 4.24405661970377 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.24405661970377e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 2.3783313010585103 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248120256 "si-unit" "kg / m s^2" "si-value" 2378331301.05851 } "c12" { "source-value" 1.350232633398453 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361828145 "si-unit" "kg / m s^2" "si-value" 1350232633.398453 } "c44" { "source-value" 1.3527418546065817 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812042415 "si-unit" "kg / m s^2" "si-value" 1352741854.606582 } "excess" { "source-value" 0.0011942530222846012 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132953 "si-unit" "kg / m s^2" "si-value" 1194253.022284601 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" 4.24405661970377 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.24405661970377e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 1.6929321892851388 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578726025 "si-unit" "kg / m s^2" "si-value" 1692932189.285139 } } ]