[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.658403038978577 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658403038978577e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 84.56688311162912 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724945901 "si-unit" "kg / m s^2" "si-value" 84566883111.62912 } "c12" { "source-value" 49.30789679374117 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361883382 "si-unit" "kg / m s^2" "si-value" 49307896793.74117 } "c44" { "source-value" 20.968145716472126 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812361932 "si-unit" "kg / m s^2" "si-value" 20968145716.47213 } "excess" { "source-value" 0.04595119677357756 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913321 "si-unit" "kg / m s^2" "si-value" 45951196.77357756 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.658403038978577 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658403038978577e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 61.06089223303716 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578781856 "si-unit" "kg / m s^2" "si-value" 61060892233.03716 } } ]