[ { "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" 3.1465589553117748 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.146558955311775e-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" 464.90731967817857 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725565442 "si-unit" "kg / m s^2" "si-value" 464907319678.1786 } "c12" { "source-value" 165.4591598523689 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362017167 "si-unit" "kg / m s^2" "si-value" 165459159852.3689 } "c44" { "source-value" 108.99575251957133 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813795817 "si-unit" "kg / m s^2" "si-value" 108995752519.5713 } "excess" { "source-value" 0.11885310720792824 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913363 "si-unit" "kg / m s^2" "si-value" 118853107.2079282 } } { "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" 3.1465589553117748 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.146558955311775e-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" 265.2752131276388 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578973911 "si-unit" "kg / m s^2" "si-value" 265275213127.6388 } } ]