[ { "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" 5.8703761249780655 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.870376124978066e-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" -199474.11092932135 "source-unit" "GPa" "source-std-uncert-value" 0.007335931049838819 "si-unit" "kg / m s^2" "si-value" -199474110929321.3 } "c12" { "source-value" 84.34072332917198 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361923733 "si-unit" "kg / m s^2" "si-value" 84340723329.17198 } "c44" { "source-value" -74795.81003027913 "source-unit" "GPa" "source-std-uncert-value" 0.0018339828030372201 "si-unit" "kg / m s^2" "si-value" -74795810030279.12 } "excess" { "source-value" 11929.55361938408 "source-unit" "GPa" "source-std-uncert-value" 0.002593643187783578 "si-unit" "kg / m s^2" "si-value" 11929553619384.08 } } { "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" 5.8703761249780655 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.870376124978066e-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" -66435.14316088767 "source-unit" "GPa" "source-std-uncert-value" 0.004235401641329494 "si-unit" "kg / m s^2" "si-value" -66435143160887.67 } } ]