[ { "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" 3.147199973464012 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.147199973464012e-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" 473.53512942304604 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725579495 "si-unit" "kg / m s^2" "si-value" 473535129423.046 } "c12" { "source-value" 162.48407270210217 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620137395 "si-unit" "kg / m s^2" "si-value" 162484072702.1022 } "c44" { "source-value" 110.73509496653196 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813824147 "si-unit" "kg / m s^2" "si-value" 110735094966.532 } "excess" { "source-value" 0.07909737842483687 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091334 "si-unit" "kg / m s^2" "si-value" 79097378.42483687 } } { "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" 3.147199973464012 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.147199973464012e-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" 266.1677582757501 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157897475 "si-unit" "kg / m s^2" "si-value" 266167758275.7501 } } ]