[ { "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" [ "K" "K" "K" "K" "K" "K" "K" "K" ] } "a" { "source-value" 10.64330938458443 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.064330938458443e-09 } "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" 1.8316353379523829 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248111365 "si-unit" "kg / m s^2" "si-value" 1831635337.952383 } "c12" { "source-value" 1.8316423113094598 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618287 "si-unit" "kg / m s^2" "si-value" 1831642311.30946 } "c44" { "source-value" 1.6557915918002874e-05 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681202038 "si-unit" "kg / m s^2" "si-value" 16557.91591800287 } "excess" { "source-value" 6.996024130384272e-08 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 69.96024130384272 } } { "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" [ "K" "K" "K" "K" "K" "K" "K" "K" ] } "a" { "source-value" 10.64330938458443 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.064330938458443e-09 } "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" 1.8316399868571005 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578726156 "si-unit" "kg / m s^2" "si-value" 1831639986.8571 } } ]