[ { "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 3.530000030994417 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.530000030994417e-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" 198.67522005220545 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725131774 "si-unit" "kg / m s^2" "si-value" 198675220052.2054 } "c12" { "source-value" 140.44470898081124 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361988354 "si-unit" "kg / m s^2" "si-value" 140444708980.8112 } "c44" { "source-value" 111.9259414888132 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813843548 "si-unit" "kg / m s^2" "si-value" 111925941488.8132 } "excess" { "source-value" 0.09387256068769699 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913348 "si-unit" "kg / m s^2" "si-value" 93872560.687697 } } { "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 3.530000030994417 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.530000030994417e-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" 159.85487933794263 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578874767 "si-unit" "kg / m s^2" "si-value" 159854879337.9426 } } ]