[ { "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" [ "Fe" "Fe" ] } "a" { "source-value" 2.855324625968933 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855324625968933e-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" 243.35869907219544 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072520456 "si-unit" "kg / m s^2" "si-value" 243358699072.1954 } "c12" { "source-value" 145.00858797820013 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619936115 "si-unit" "kg / m s^2" "si-value" 145008587978.2001 } "c44" { "source-value" 116.21234445797369 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813913366 "si-unit" "kg / m s^2" "si-value" 116212344457.9737 } "excess" { "source-value" 0.0877388786809475 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133447 "si-unit" "kg / m s^2" "si-value" 87738878.6809475 } } { "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" [ "Fe" "Fe" ] } "a" { "source-value" 2.855324625968933 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855324625968933e-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" 177.79195834286523 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578891637 "si-unit" "kg / m s^2" "si-value" 177791958342.8652 } } ]