[ { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.6609857827425 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.6609857827425e-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" 33.03794752086037 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724861967 "si-unit" "kg / m s^2" "si-value" 33037947520.86037 } "c12" { "source-value" 43.096379890093566 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361876228 "si-unit" "kg / m s^2" "si-value" 43096379890.09357 } "c44" { "source-value" -174514.26539715406 "source-unit" "GPa" "source-std-uncert-value" 0.001833982965468997 "si-unit" "kg / m s^2" "si-value" -174514265397154.1 } "excess" { "source-value" 0.7878495412914334 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913748 "si-unit" "kg / m s^2" "si-value" 787849541.2914333 } } { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.6609857827425 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.6609857827425e-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" 39.74356910034916 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578761809 "si-unit" "kg / m s^2" "si-value" 39743569100.34916 } } ]