[ { "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" [ "Mg" "Mg" ] } "a" { "source-value" 3.565542314946652 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.565542314946652e-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" 35.88718279405929 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724866608 "si-unit" "kg / m s^2" "si-value" 35887182794.0593 } "c12" { "source-value" 30.55548658789401 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361861784 "si-unit" "kg / m s^2" "si-value" 30555486587.89401 } "c44" { "source-value" 27.63198739135088 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812470478 "si-unit" "kg / m s^2" "si-value" 27631987391.35088 } "excess" { "source-value" 0.017035999796044584 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133044 "si-unit" "kg / m s^2" "si-value" 17035999.79604458 } } { "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" [ "Mg" "Mg" ] } "a" { "source-value" 3.565542314946652 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.565542314946652e-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" 32.33271865661577 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157875484 "si-unit" "kg / m s^2" "si-value" 32332718656.61577 } } ]