[ { "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" 3.146926522254944 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.146926522254944e-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" 961.113219650375 "source-unit" "GPa" "source-std-uncert-value" 0.007335930726373713 "si-unit" "kg / m s^2" "si-value" 961113219650.375 } "c12" { "source-value" 479.1805059531493 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362378514 "si-unit" "kg / m s^2" "si-value" 479180505953.1493 } "c44" { "source-value" 487.99180800677146 "source-unit" "GPa" "source-std-uncert-value" 0.00183398268199693 "si-unit" "kg / m s^2" "si-value" 487991808006.7715 } "excess" { "source-value" 4.394360418066888 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809158254 "si-unit" "kg / m s^2" "si-value" 4394360418.066888 } } { "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" 3.146926522254944 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.146926522254944e-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" 639.8247438522245 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015793261545 "si-unit" "kg / m s^2" "si-value" 639824743852.2245 } } ]