[ { "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 4.168177530169487 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.168177530169487e-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" 147.8989552765923 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725049065 "si-unit" "kg / m s^2" "si-value" 147898955276.5923 } "c12" { "source-value" 175.02555622669118 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362028185 "si-unit" "kg / m s^2" "si-value" 175025556226.6912 } "c44" { "source-value" 18.220449955923105 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812317171 "si-unit" "kg / m s^2" "si-value" 18220449955.9231 } "excess" { "source-value" 0.018334784653484596 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913305 "si-unit" "kg / m s^2" "si-value" 18334784.6534846 } } { "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 4.168177530169487 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.168177530169487e-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" 165.98335590999153 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578880532 "si-unit" "kg / m s^2" "si-value" 165983355909.9915 } } ]