[ { "short-name" { "source-value" [ "fcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.79101021737e-10 "source-value" 3.79101021737 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 1685797636610.0 "source-std-uncert-value" 0.00183398268395 "source-value" 1685.79763661 } "space-group" { "source-value" "Fm-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 125475882.832 "source-std-uncert-value" 0.00259364318091 "source-value" 0.125475882832 } "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 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 1686045270700.0 "source-std-uncert-value" 0.00518728636377 "source-value" 1686.0452707 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 5687024522.71 "source-std-uncert-value" 0.00733593072482 "source-value" 5.68702452271 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "instance-id" 1 } { "short-name" { "source-value" [ "fcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.79101021737e-10 "source-value" 3.79101021737 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 1125925855310.0 "source-std-uncert-value" 0.00423540157978 "source-value" 1125.92585531 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Fm-3m" } "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 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "instance-id" 2 } ]