[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mo" "Mo" ] } "a" { "source-value" 3.170121654868126 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.170121654868126e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 435.99273236703704 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725518343 "si-unit" "kg / m s^2" "si-value" 435992732367.037 } "c12" { "source-value" 166.35971304882813 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362018204 "si-unit" "kg / m s^2" "si-value" 166359713048.8281 } "c44" { "source-value" 103.59022605490658 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813707765 "si-unit" "kg / m s^2" "si-value" 103590226054.9066 } "excess" { "source-value" 0.09719464137231416 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133503 "si-unit" "kg / m s^2" "si-value" 97194641.37231417 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mo" "Mo" ] } "a" { "source-value" 3.170121654868126 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.170121654868126e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 256.23738615489776 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578965411 "si-unit" "kg / m s^2" "si-value" 256237386154.8978 } } ]