[ { "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" 5.22185206413269 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.221852064132691e-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" -869330.3419781412 "source-unit" "GPa" "source-std-uncert-value" 0.007335932140944628 "si-unit" "kg / m s^2" "si-value" -869330341978141.2 } "c12" { "source-value" 61.56898396330663 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361897505 "si-unit" "kg / m s^2" "si-value" 61568983963.30663 } "c44" { "source-value" -651991.3310783776 "source-unit" "GPa" "source-std-uncert-value" 0.0018339837432332206 "si-unit" "kg / m s^2" "si-value" -651991331078377.5 } "excess" { "source-value" 9.025841892183424 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809184925 "si-unit" "kg / m s^2" "si-value" 9025841892.183424 } } { "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" 5.22185206413269 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.221852064132691e-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" -289735.7346700715 "source-unit" "GPa" "source-std-uncert-value" 0.004235401851298644 "si-unit" "kg / m s^2" "si-value" -289735734670071.5 } } ]