[ { "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" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" ] } "a" { "source-value" 9.072889399528503 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.072889399528503e-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" -1517643.8501743888 "source-unit" "GPa" "source-std-uncert-value" 0.007335933197003598 "si-unit" "kg / m s^2" "si-value" -1517643850174389.0 } "c12" { "source-value" 76.98170741904222 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636192603 "si-unit" "kg / m s^2" "si-value" 76981707419.04222 } "c44" { "source-value" -571026.2180835346 "source-unit" "GPa" "source-std-uncert-value" 0.0018339836113488372 "si-unit" "kg / m s^2" "si-value" -571026218083534.6 } "excess" { "source-value" 183.25353953160229 "source-unit" "GPa" "source-std-uncert-value" 0.002593643181018831 "si-unit" "kg / m s^2" "si-value" 183253539531.6023 } } { "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" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" ] } "a" { "source-value" 9.072889399528503 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.072889399528503e-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" -505829.9622531836 "source-unit" "GPa" "source-std-uncert-value" 0.00423540205455285 "si-unit" "kg / m s^2" "si-value" -505829962253183.6 } } ]