[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Mo" ] } "a" { "source-value" 2.532836578786373 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.532836578786373e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "space-group" { "source-value" "Pm-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" 610.5739118497335 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072580272 "si-unit" "kg / m s^2" "si-value" 610573911849.7335 } "c12" { "source-value" 150.6859905902379 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620001505 "si-unit" "kg / m s^2" "si-value" 150685990590.2379 } "c44" { "source-value" 13.307045754495158 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681223714 "si-unit" "kg / m s^2" "si-value" 13307045754.49516 } "excess" { "source-value" 7.697546304069447e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 7.697546304069447 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Mo" ] } "a" { "source-value" 2.532836578786373 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.532836578786373e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "space-group" { "source-value" "Pm-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" 303.9819643434031 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015790103125 "si-unit" "kg / m s^2" "si-value" 303981964343.4031 } } ]