[ { "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" 4.419419944286346 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.419419944286347e-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" 18.50962152461352 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724838303 "si-unit" "kg / m s^2" "si-value" 18509621524.61352 } "c12" { "source-value" 16.238880012013038 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618452935 "si-unit" "kg / m s^2" "si-value" 16238880012.01304 } "c44" { "source-value" 16.31560346349396 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812286146 "si-unit" "kg / m s^2" "si-value" 16315603463.49396 } "excess" { "source-value" 0.0383088454662294 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133165 "si-unit" "kg / m s^2" "si-value" 38308845.4662294 } } { "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" 4.419419944286346 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.419419944286347e-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" 16.99579384954653 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787404165 "si-unit" "kg / m s^2" "si-value" 16995793849.54653 } } ]