[ { "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" 6.481930673122406 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.481930673122406e-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" 0.4084338164484847 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724808816 "si-unit" "kg / m s^2" "si-value" 408433816.4484847 } "c12" { "source-value" 0.24366389692522253 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636182687 "si-unit" "kg / m s^2" "si-value" 243663896.9252225 } "c44" { "source-value" 0.24367593836251422 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812024348 "si-unit" "kg / m s^2" "si-value" 243675938.3625142 } "excess" { "source-value" 1.2490009027035761e-10 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.1249000902703576 } } { "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" 6.481930673122406 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.481930673122406e-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" 0.29858720343297657 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578724714 "si-unit" "kg / m s^2" "si-value" 298587203.4329765 } } ]