[ { "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" 3.410651050508022 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.410651050508022e-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" 3187.62939852087 "source-unit" "GPa" "source-std-uncert-value" 0.007335930730000495 "si-unit" "kg / m s^2" "si-value" 3187629398520.87 } "c12" { "source-value" 1818.6828754953156 "source-unit" "GPa" "source-std-uncert-value" 0.005187286363921364 "si-unit" "kg / m s^2" "si-value" 1818682875495.316 } "c44" { "source-value" 1822.4629120682548 "source-unit" "GPa" "source-std-uncert-value" 0.001833982684170655 "si-unit" "kg / m s^2" "si-value" 1822462912068.255 } "excess" { "source-value" 1.8086418371869406 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180914336 "si-unit" "kg / m s^2" "si-value" 1808641837.186941 } } { "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" 3.410651050508022 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.410651050508022e-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" 2274.9983831705003 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015808639504 "si-unit" "kg / m s^2" "si-value" 2274998383170.5 } } ]