[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ca" "Ca" ] } "a" { "source-value" 4.457773193717003 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.457773193717003e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 19.039480113544183 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724839165 "si-unit" "kg / m s^2" "si-value" 19039480113.54418 } "c12" { "source-value" 15.642910101924096 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618446065 "si-unit" "kg / m s^2" "si-value" 15642910101.9241 } "c44" { "source-value" 15.712027655771086 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812276314 "si-unit" "kg / m s^2" "si-value" 15712027655.77109 } "excess" { "source-value" 0.03450717635708313 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133144 "si-unit" "kg / m s^2" "si-value" 34507176.35708313 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ca" "Ca" ] } "a" { "source-value" 4.457773193717003 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.457773193717003e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 16.775100105797456 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578740208 "si-unit" "kg / m s^2" "si-value" 16775100105.79746 } } ]