[ { "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 5.336996629834175 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.336996629834175e-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" 4919231.318989381 "source-unit" "GPa" "source-std-uncert-value" 0.0073359387377651235 "si-unit" "kg / m s^2" "si-value" 4919231318989381.0 } "c12" { "source-value" 406.93921788449893 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362329386 "si-unit" "kg / m s^2" "si-value" 406939217884.4989 } "c44" { "source-value" 1844700.8914692402 "source-unit" "GPa" "source-std-uncert-value" 0.001833985686042403 "si-unit" "kg / m s^2" "si-value" 1844700891469240.0 } "excess" { "source-value" 327905.2848073133 "source-unit" "GPa" "source-std-uncert-value" 0.002593643369755491 "si-unit" "kg / m s^2" "si-value" 327905284807313.3 } } { "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 5.336996629834175 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.336996629834175e-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" 1640015.0658083833 "source-unit" "GPa" "source-std-uncert-value" 0.00423540312109297 "si-unit" "kg / m s^2" "si-value" 1640015065808383.0 } } ]