[ { "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" 5.500998273491859 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.50099827349186e-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" -792426.3609245555 "source-unit" "GPa" "source-std-uncert-value" 0.007335932015799948 "si-unit" "kg / m s^2" "si-value" -792426360924555.5 } "c12" { "source-value" 114.94534548660505 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361958985 "si-unit" "kg / m s^2" "si-value" 114945345486.6051 } "c44" { "source-value" -594399.7037389999 "source-unit" "GPa" "source-std-uncert-value" 0.0018339836494219977 "si-unit" "kg / m s^2" "si-value" -594399703738999.9 } "excess" { "source-value" 98709.35778640339 "source-unit" "GPa" "source-std-uncert-value" 0.002593643237760462 "si-unit" "kg / m s^2" "si-value" 98709357786403.39 } } { "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" 5.500998273491859 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.50099827349186e-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" -264065.4900778607 "source-unit" "GPa" "source-std-uncert-value" 0.004235401827248002 "si-unit" "kg / m s^2" "si-value" -264065490077860.7 } } ]