[ { "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" [ "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 3.919746816158295 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.919746816158295e-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" 107.37654944128627 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724983058 "si-unit" "kg / m s^2" "si-value" 107376549441.2863 } "c12" { "source-value" 50.963796332711176 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361885289 "si-unit" "kg / m s^2" "si-value" 50963796332.71117 } "c44" { "source-value" 46.72297035721133 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681278145 "si-unit" "kg / m s^2" "si-value" 46722970357.21133 } "excess" { "source-value" 9.048872762209332e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 9048.872762209332 } } { "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" [ "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 3.919746816158295 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.919746816158295e-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" 69.76804736890287 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578790046 "si-unit" "kg / m s^2" "si-value" 69768047368.90286 } } ]