[ { "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" [ "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" 5.24417295455933 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.24417295455933e-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" 4.432725580211289 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724815372 "si-unit" "kg / m s^2" "si-value" 4432725580.211289 } "c12" { "source-value" 2.533986772399469 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618295075 "si-unit" "kg / m s^2" "si-value" 2533986772.399469 } "c44" { "source-value" 2.539385453933696 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812061744 "si-unit" "kg / m s^2" "si-value" 2539385453.933696 } "excess" { "source-value" 0.002585962374790932 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132957 "si-unit" "kg / m s^2" "si-value" 2585962.374790932 } } { "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" [ "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" 5.24417295455933 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.24417295455933e-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" 3.166899708336742 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578727411 "si-unit" "kg / m s^2" "si-value" 3166899708.336742 } } ]