[ { "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" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 5.559938663989308 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.559938663989308e-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" 20.885113511656645 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724842172 "si-unit" "kg / m s^2" "si-value" 20885113511.65664 } "c12" { "source-value" 15.101085181512168 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361843982 "si-unit" "kg / m s^2" "si-value" 15101085181.51217 } "c44" { "source-value" 15.280467421722213 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812269284 "si-unit" "kg / m s^2" "si-value" 15280467421.72221 } "excess" { "source-value" 0.0895229634867631 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133456 "si-unit" "kg / m s^2" "si-value" 89522963.4867631 } } { "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" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 5.559938663989308 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.559938663989308e-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" 17.02909462489366 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578740447 "si-unit" "kg / m s^2" "si-value" 17029094624.89366 } } ]