[ { "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" [ "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" 4.205006867647171 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.205006867647171e-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" 3.3500116090701115 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724813608 "si-unit" "kg / m s^2" "si-value" 3350011609.070112 } "c12" { "source-value" 1.8620283495274625 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361828735 "si-unit" "kg / m s^2" "si-value" 1862028349.527462 } "c44" { "source-value" 1.8648033309931422 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812050757 "si-unit" "kg / m s^2" "si-value" 1864803330.993142 } "excess" { "source-value" 0.0012997861710553704 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132953 "si-unit" "kg / m s^2" "si-value" 1299786.17105537 } } { "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" [ "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" 4.205006867647171 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.205006867647171e-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" 2.358022769375012 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787266506 "si-unit" "kg / m s^2" "si-value" 2358022769.375012 } } ]