[ { "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 3.9313412010669713 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.931341201066972e-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" 265.5549299486038 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307252407165 "si-unit" "kg / m s^2" "si-value" 265554929948.6038 } "c12" { "source-value" 461.09422458457743 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362357681 "si-unit" "kg / m s^2" "si-value" 461094224584.5775 } "c44" { "source-value" 19.95304783235207 "source-unit" "GPa" "source-std-uncert-value" 0.00183398268123454 "si-unit" "kg / m s^2" "si-value" 19953047832.35207 } "excess" { "source-value" 0.2646925730450879 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134466 "si-unit" "kg / m s^2" "si-value" 264692573.0450879 } } { "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 3.9313412010669713 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.931341201066972e-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" 395.9144597059195 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157909677 "si-unit" "kg / m s^2" "si-value" 395914459705.9195 } } ]