[ { "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" 3.887473255395889 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.887473255395889e-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" 157.36118555931034 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725064479 "si-unit" "kg / m s^2" "si-value" 157361185559.3103 } "c12" { "source-value" 78.56724214803351 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361917084 "si-unit" "kg / m s^2" "si-value" 78567242148.03351 } "c44" { "source-value" 78.7754761885628 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813303555 "si-unit" "kg / m s^2" "si-value" 78775476188.5628 } "excess" { "source-value" 1.2173595465017524e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1217.359546501752 } } { "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" 3.887473255395889 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.887473255395889e-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" 104.83188995179246 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578823022 "si-unit" "kg / m s^2" "si-value" 104831889951.7925 } } ]