[ { "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" [ "Zr" "Zr" ] } "a" { "source-value" 3.575929403305054 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.575929403305054e-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" 50.316774217418185 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248901115 "si-unit" "kg / m s^2" "si-value" 50316774217.41818 } "c12" { "source-value" 94.292330119948 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619351955 "si-unit" "kg / m s^2" "si-value" 94292330119.948 } "c44" { "source-value" 49.93759432163984 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812833813 "si-unit" "kg / m s^2" "si-value" 49937594321.63984 } "excess" { "source-value" 0.05328415945509579 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913325 "si-unit" "kg / m s^2" "si-value" 53284159.45509579 } } { "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" [ "Zr" "Zr" ] } "a" { "source-value" 3.575929403305054 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.575929403305054e-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" 79.63381148577139 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578799324 "si-unit" "kg / m s^2" "si-value" 79633811485.7714 } } ]