[ { "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" 3.5200000628829002 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.5200000628829e-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" 240.83470123775518 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725200449 "si-unit" "kg / m s^2" "si-value" 240834701237.7552 } "c12" { "source-value" 150.49168062360252 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361999926 "si-unit" "kg / m s^2" "si-value" 150491680623.6025 } "c44" { "source-value" 119.81707850804484 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813972085 "si-unit" "kg / m s^2" "si-value" 119817078508.0448 } "excess" { "source-value" 0.2313894243618637 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134275 "si-unit" "kg / m s^2" "si-value" 231389424.3618637 } } { "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" 3.5200000628829002 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.5200000628829e-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" 180.60602082832008 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578894283 "si-unit" "kg / m s^2" "si-value" 180606020828.3201 } } ]