[ { "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" 3.9820850268006334 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.982085026800634e-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" 195.78143982816746 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725127061 "si-unit" "kg / m s^2" "si-value" 195781439828.1674 } "c12" { "source-value" 299.17075393140595 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362171176 "si-unit" "kg / m s^2" "si-value" 299170753931.4059 } "c44" { "source-value" 63.83265415415673 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813060154 "si-unit" "kg / m s^2" "si-value" 63832654154.15673 } "excess" { "source-value" 1.7763568394006417e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1.776356839400642 } } { "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" 3.9820850268006334 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.982085026800634e-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" 264.7076492303264 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578973377 "si-unit" "kg / m s^2" "si-value" 264707649230.3264 } } ]