[ { "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" 3.622774451971054 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.622774451971054e-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" 259.43910347461036 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725230754 "si-unit" "kg / m s^2" "si-value" 259439103474.6104 } "c12" { "source-value" 172.44536370186844 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362025213 "si-unit" "kg / m s^2" "si-value" 172445363701.8684 } "c44" { "source-value" 173.4044160212068 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814844971 "si-unit" "kg / m s^2" "si-value" 173404416021.2068 } "excess" { "source-value" 0.4768558518424592 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913569 "si-unit" "kg / m s^2" "si-value" 476855851.8424592 } } { "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" 3.622774451971054 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.622774451971054e-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" 201.44327695944907 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578913879 "si-unit" "kg / m s^2" "si-value" 201443276959.4491 } } ]