[ { "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" 3.5224674642086033 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.522467464208604e-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" 247.10605517702547 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725210666 "si-unit" "kg / m s^2" "si-value" 247106055177.0255 } "c12" { "source-value" 144.16142931616443 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361992635 "si-unit" "kg / m s^2" "si-value" 144161429316.1644 } "c44" { "source-value" 108.1512987744187 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813782059 "si-unit" "kg / m s^2" "si-value" 108151298774.4187 } "excess" { "source-value" 0.2554631140702283 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134414 "si-unit" "kg / m s^2" "si-value" 255463114.0702283 } } { "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" 3.5224674642086033 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.522467464208604e-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" 178.47630460311808 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157889228 "si-unit" "kg / m s^2" "si-value" 178476304603.1181 } } ]