[ { "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 3.9466389045119294 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.94663890451193e-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" -4107964.0123529485 "source-unit" "GPa" "source-std-uncert-value" 0.0073359374168634065 "si-unit" "kg / m s^2" "si-value" -4107964012352948.0 } "c12" { "source-value" 267.16076619243466 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362134307 "si-unit" "kg / m s^2" "si-value" 267160766192.4347 } "c44" { "source-value" -1540552.7349374343 "source-unit" "GPa" "source-std-uncert-value" 0.0018339851906143028 "si-unit" "kg / m s^2" "si-value" -1540552734937434.0 } "excess" { "source-value" 1304.867499466373 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431816647736 "si-unit" "kg / m s^2" "si-value" 1304867499466.373 } } { "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 3.9466389045119294 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.94663890451193e-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" -1369143.230273521 "source-unit" "GPa" "source-std-uncert-value" 0.004235402866778959 "si-unit" "kg / m s^2" "si-value" -1369143230273521.0 } } ]