[ { "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" [ "Ru" "Ru" "Ru" "Ru" ] } "a" { "source-value" 3.854105651378632 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.854105651378632e-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" 607.5071926618053 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725797723 "si-unit" "kg / m s^2" "si-value" 607507192661.8053 } "c12" { "source-value" 231.02693338240832 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362092689 "si-unit" "kg / m s^2" "si-value" 231026933382.4083 } "c44" { "source-value" 238.86101768753133 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826815911198 "si-unit" "kg / m s^2" "si-value" 238861017687.5313 } "excess" { "source-value" 0.1267231188132972 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133673 "si-unit" "kg / m s^2" "si-value" 126723118.8132972 } } { "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" [ "Ru" "Ru" "Ru" "Ru" ] } "a" { "source-value" 3.854105651378632 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.854105651378632e-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" 356.52035314220734 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579059723 "si-unit" "kg / m s^2" "si-value" 356520353142.2073 } } ]