[ { "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" 2.855312466621399 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855312466621399e-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" 243.32605063594465 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725204508 "si-unit" "kg / m s^2" "si-value" 243326050635.9446 } "c12" { "source-value" 145.04807020368912 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619936566 "si-unit" "kg / m s^2" "si-value" 145048070203.6891 } "c44" { "source-value" 116.14560540309851 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813912282 "si-unit" "kg / m s^2" "si-value" 116145605403.0985 } "excess" { "source-value" 5.9211894646688055e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 5.921189464668806 } } { "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" 2.855312466621399 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855312466621399e-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" 177.80739701444094 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578891651 "si-unit" "kg / m s^2" "si-value" 177807397014.4409 } } ]