[ { "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" 3.830623045563698 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.830623045563698e-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" -4714058.741985447 "source-unit" "GPa" "source-std-uncert-value" 0.007335938412066276 "si-unit" "kg / m s^2" "si-value" -4714058741985447.0 } "c12" { "source-value" 5047.886312835742 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863676407895 "si-unit" "kg / m s^2" "si-value" 5047886312835.741 } "c44" { "source-value" -1768781.0733317074 "source-unit" "GPa" "source-std-uncert-value" 0.0018339855623763198 "si-unit" "kg / m s^2" "si-value" -1768781073331708.0 } "excess" { "source-value" 1413.5856078185836 "source-unit" "GPa" "source-std-uncert-value" 0.002593643181727385 "si-unit" "kg / m s^2" "si-value" 1413585607818.584 } } { "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" 3.830623045563698 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.830623045563698e-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" -1567987.6564532584 "source-unit" "GPa" "source-std-uncert-value" 0.004235403061303314 "si-unit" "kg / m s^2" "si-value" -1567987656453258.0 } } ]