[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 5.342795267701149 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.342795267701149e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -1630177.3526476014 "source-unit" "GPa" "source-std-uncert-value" 0.007335933380294097 "si-unit" "kg / m s^2" "si-value" -1630177352647602.0 } "c12" { "source-value" 62.94174682787422 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618990855 "si-unit" "kg / m s^2" "si-value" 62941746827.87422 } "c44" { "source-value" -611303.5160893466 "source-unit" "GPa" "source-std-uncert-value" 0.0018339836769566825 "si-unit" "kg / m s^2" "si-value" -611303516089346.6 } "excess" { "source-value" 12.243845434710794 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809203456 "si-unit" "kg / m s^2" "si-value" 12243845434.71079 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 5.342795267701149 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.342795267701149e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -543350.4897179818 "source-unit" "GPa" "source-std-uncert-value" 0.004235402089812465 "si-unit" "kg / m s^2" "si-value" -543350489717981.8 } } ]