[ { "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 3.52000077366829 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.52000077366829e-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" 248.81051692091947 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072521344 "si-unit" "kg / m s^2" "si-value" 248810516920.9195 } "c12" { "source-value" 148.2127625879878 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361997302 "si-unit" "kg / m s^2" "si-value" 148212762587.9878 } "c44" { "source-value" 126.17413129326076 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814075635 "si-unit" "kg / m s^2" "si-value" 126174131293.2608 } "excess" { "source-value" 0.06576548846246556 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913332 "si-unit" "kg / m s^2" "si-value" 65765488.46246556 } } { "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 3.52000077366829 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.52000077366829e-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" 181.7453473656317 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578895355 "si-unit" "kg / m s^2" "si-value" 181745347365.6317 } } ]