[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" ] } "a" { "source-value" 7.23302960395813 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.23302960395813e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 64.3104065759286 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724912908 "si-unit" "kg / m s^2" "si-value" 64310406575.9286 } "c12" { "source-value" 65.32501940582965 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361901831 "si-unit" "kg / m s^2" "si-value" 65325019405.82965 } "c44" { "source-value" -1.1536496489959973 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812039173 "si-unit" "kg / m s^2" "si-value" -1153649648.995997 } "excess" { "source-value" 4.964917366124794e-07 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 496.4917366124794 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" ] } "a" { "source-value" 7.23302960395813 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.23302960395813e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 64.98681512919596 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157878555 "si-unit" "kg / m s^2" "si-value" 64986815129.19596 } } ]