[ { "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" 6.633476138114929 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.63347613811493e-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" 33.797568149481435 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724863206 "si-unit" "kg / m s^2" "si-value" 33797568149.48143 } "c12" { "source-value" 39.56346152971377 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361872159 "si-unit" "kg / m s^2" "si-value" 39563461529.71377 } "c44" { "source-value" -76860.30119602352 "source-unit" "GPa" "source-std-uncert-value" 0.0018339828064000798 "si-unit" "kg / m s^2" "si-value" -76860301196023.52 } "excess" { "source-value" 0.42599956081218604 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091354 "si-unit" "kg / m s^2" "si-value" 425999560.8121861 } } { "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" 6.633476138114929 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.63347613811493e-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" 37.64149706963632 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578759833 "si-unit" "kg / m s^2" "si-value" 37641497069.63632 } } ]