[ { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.324683994054794 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.324683994054795e-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" -711059.1656762286 "source-unit" "GPa" "source-std-uncert-value" 0.00733593188305534 "si-unit" "kg / m s^2" "si-value" -711059165676228.6 } "c12" { "source-value" 25.006790704538478 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361855392 "si-unit" "kg / m s^2" "si-value" 25006790704.53848 } "c44" { "source-value" -533283.3421935021 "source-unit" "GPa" "source-std-uncert-value" 0.0018339835498693217 "si-unit" "kg / m s^2" "si-value" -533283342193502.1 } "excess" { "source-value" 88460.22221663404 "source-unit" "GPa" "source-std-uncert-value" 0.002593643231857938 "si-unit" "kg / m s^2" "si-value" 88460222216634.03 } } { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.324683994054794 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.324683994054795e-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" -237003.05069827315 "source-unit" "GPa" "source-std-uncert-value" 0.004235401801644898 "si-unit" "kg / m s^2" "si-value" -237003050698273.2 } } ]