[ { "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" 2.865952417254448 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.865952417254448e-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" 229.64375166272873 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725182219 "si-unit" "kg / m s^2" "si-value" 229643751662.7287 } "c12" { "source-value" 135.50447976606154 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619826645 "si-unit" "kg / m s^2" "si-value" 135504479766.0615 } "c44" { "source-value" 116.87896855745062 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813924226 "si-unit" "kg / m s^2" "si-value" 116878968557.4506 } "excess" { "source-value" 0.05624793401420245 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913327 "si-unit" "kg / m s^2" "si-value" 56247934.01420245 } } { "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" 2.865952417254448 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.865952417254448e-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" 166.88423706495058 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578881379 "si-unit" "kg / m s^2" "si-value" 166884237064.9506 } } ]