[ { "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" 3.931341215968132 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.931341215968132e-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" 265.5548395498042 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307252407165 "si-unit" "kg / m s^2" "si-value" 265554839549.8042 } "c12" { "source-value" 461.094175693316 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362357681 "si-unit" "kg / m s^2" "si-value" 461094175693.316 } "c44" { "source-value" 19.423617586338096 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812336774 "si-unit" "kg / m s^2" "si-value" 19423617586.3381 } "excess" { "source-value" 5.329070518201925e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 5.329070518201926 } } { "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" 3.931341215968132 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.931341215968132e-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" 395.9143969788121 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157909677 "si-unit" "kg / m s^2" "si-value" 395914396978.8121 } } ]