[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "C" "C" "C" "C" ] } "a" { "source-value" 2.727575689554215 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.727575689554215e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 3589.3738702077226 "source-unit" "GPa" "source-std-uncert-value" 0.007335930730654897 "si-unit" "kg / m s^2" "si-value" 3589373870207.723 } "c12" { "source-value" 5036.040866675195 "source-unit" "GPa" "source-std-uncert-value" 0.005187286367627146 "si-unit" "kg / m s^2" "si-value" 5036040866675.194 } "c44" { "source-value" -305.6827705521633 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681699966 "si-unit" "kg / m s^2" "si-value" -305682770552.1633 } "excess" { "source-value" 0.00045497146790780195 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 454971.467907802 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "C" "C" "C" "C" ] } "a" { "source-value" 2.727575689554215 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.727575689554215e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 4553.818534519371 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015830070625 "si-unit" "kg / m s^2" "si-value" 4553818534519.37 } } ]