[ { "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" 4.119247832894328 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.119247832894329e-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" 176.28682231322628 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725095307 "si-unit" "kg / m s^2" "si-value" 176286822313.2263 } "c12" { "source-value" 114.3655484092928 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361958316 "si-unit" "kg / m s^2" "si-value" 114365548409.2928 } "c44" { "source-value" 77.34091757444071 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681328019 "si-unit" "kg / m s^2" "si-value" 77340917574.4407 } "excess" { "source-value" 0.0050974975351903 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132974 "si-unit" "kg / m s^2" "si-value" 5097497.5351903 } } { "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" 4.119247832894328 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.119247832894329e-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" 135.00597304393727 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578851399 "si-unit" "kg / m s^2" "si-value" 135005973043.9373 } } ]