[ { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 5.384147465229034 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.384147465229035e-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" 343.51512027804637 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307253677035 "si-unit" "kg / m s^2" "si-value" 343515120278.0464 } "c12" { "source-value" 192.0949162155662 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362047846 "si-unit" "kg / m s^2" "si-value" 192094916215.5662 } "c44" { "source-value" 116.56236203215741 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813919072 "si-unit" "kg / m s^2" "si-value" 116562362032.1574 } "excess" { "source-value" 0.0038024203045484567 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132966 "si-unit" "kg / m s^2" "si-value" 3802420.304548457 } } { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 5.384147465229034 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.384147465229035e-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" 242.56831756972625 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578952556 "si-unit" "kg / m s^2" "si-value" 242568317569.7263 } } ]