[ { "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" 3.99231243133545 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.99231243133545e-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" 306.25160652545105 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725307007 "si-unit" "kg / m s^2" "si-value" 306251606525.451 } "c12" { "source-value" 226.35044938591648 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362087301 "si-unit" "kg / m s^2" "si-value" 226350449385.9165 } "c44" { "source-value" 58.05312060937098 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812966008 "si-unit" "kg / m s^2" "si-value" 58053120609.37098 } "excess" { "source-value" 1.3852030633646202e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 13852.0306336462 } } { "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" 3.99231243133545 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.99231243133545e-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" 252.984168432428 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578962352 "si-unit" "kg / m s^2" "si-value" 252984168432.428 } } ]