[ { "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" [ "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" 5.686563968658448 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.686563968658449e-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" -714835.6054311056 "source-unit" "GPa" "source-std-uncert-value" 0.0073359318893577545 "si-unit" "kg / m s^2" "si-value" -714835605431105.6 } "c12" { "source-value" 113.039861642708 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361956789 "si-unit" "kg / m s^2" "si-value" 113039861642.708 } "c44" { "source-value" -268082.5025457791 "source-unit" "GPa" "source-std-uncert-value" 0.0018339831178826556 "si-unit" "kg / m s^2" "si-value" -268082502545779.1 } "excess" { "source-value" 3378.870647567186 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431828592014 "si-unit" "kg / m s^2" "si-value" 3378870647567.186 } } { "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" [ "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" 5.686563968658448 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.686563968658449e-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" -238203.17523594006 "source-unit" "GPa" "source-std-uncert-value" 0.004235401802912993 "si-unit" "kg / m s^2" "si-value" -238203175235940.1 } } ]