[ { "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" 3.882712833583355 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.882712833583355e-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" 211.59216816362346 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307251528155 "si-unit" "kg / m s^2" "si-value" 211592168163.6234 } "c12" { "source-value" 230.5509447910515 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636209214 "si-unit" "kg / m s^2" "si-value" 230550944791.0515 } "c44" { "source-value" 145.81669330248693 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814395596 "si-unit" "kg / m s^2" "si-value" 145816693302.4869 } "excess" { "source-value" 0.07512208396085637 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133378 "si-unit" "kg / m s^2" "si-value" 75122083.96085638 } } { "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" 3.882712833583355 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.882712833583355e-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" 224.23135258190882 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578935312 "si-unit" "kg / m s^2" "si-value" 224231352581.9088 } } ]