[ { "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" [ "Po" "Po" "Po" "Po" "Po" "Po" "Po" "Po" ] } "a" { "source-value" 6.226496152579784 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.226496152579785e-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" -3483298.802485974 "source-unit" "GPa" "source-std-uncert-value" 0.00733593639899521 "si-unit" "kg / m s^2" "si-value" -3483298802485974.0 } "c12" { "source-value" 213.89556771146303 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362072957 "si-unit" "kg / m s^2" "si-value" 213895567711.463 } "c44" { "source-value" -1306262.3744456118 "source-unit" "GPa" "source-std-uncert-value" 0.0018339848089778351 "si-unit" "kg / m s^2" "si-value" -1306262374445612.0 } "excess" { "source-value" 43.33122398204447 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809382493 "si-unit" "kg / m s^2" "si-value" 43331223982.04447 } } { "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" [ "Po" "Po" "Po" "Po" "Po" "Po" "Po" "Po" ] } "a" { "source-value" 6.226496152579784 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.226496152579785e-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" -1160957.003783517 "source-unit" "GPa" "source-std-uncert-value" 0.004235402670856628 "si-unit" "kg / m s^2" "si-value" -1160957003783517.0 } } ]