[ { "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" [ "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" 4.5471903905272475 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.547190390527248e-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" 117.85477585078979 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725000127 "si-unit" "kg / m s^2" "si-value" 117854775850.7898 } "c12" { "source-value" 84.65627846319485 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361924097 "si-unit" "kg / m s^2" "si-value" 84656278463.19485 } "c44" { "source-value" 55.53492661145319 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812924988 "si-unit" "kg / m s^2" "si-value" 55534926611.45319 } "excess" { "source-value" 0.039390722831701586 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913317 "si-unit" "kg / m s^2" "si-value" 39390722.83170158 } } { "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" [ "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" 4.5471903905272475 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.547190390527248e-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" 95.72244425905981 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578814455 "si-unit" "kg / m s^2" "si-value" 95722444259.05981 } } ]