[ { "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" [ "O" "O" "O" "O" ] } "a" { "source-value" 3.410830944776535 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.410830944776535e-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" 91.50703663535374 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724957208 "si-unit" "kg / m s^2" "si-value" 91507036635.35374 } "c12" { "source-value" 213.25749501197106 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362072221 "si-unit" "kg / m s^2" "si-value" 213257495011.9711 } "c44" { "source-value" -106.1414840479403 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813749322 "si-unit" "kg / m s^2" "si-value" -106141484047.9403 } "excess" { "source-value" 1.8621363710266156e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 18621.36371026616 } } { "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" [ "O" "O" "O" "O" ] } "a" { "source-value" 3.410830944776535 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.410830944776535e-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" 172.67400888643195 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788868245 "si-unit" "kg / m s^2" "si-value" 172674008886.4319 } } ]