[ { "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" 7.783120161294948 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.783120161294948e-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" 4311066.728244937 "source-unit" "GPa" "source-std-uncert-value" 0.00733593774712298 "si-unit" "kg / m s^2" "si-value" 4311066728244937.0 } "c12" { "source-value" 148.3955242197422 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620095215 "si-unit" "kg / m s^2" "si-value" 148395524219.7422 } "c44" { "source-value" 1616648.084824762 "source-unit" "GPa" "source-std-uncert-value" 0.0018339853145663107 "si-unit" "kg / m s^2" "si-value" 1616648084824762.0 } "excess" { "source-value" 322926.6824883821 "source-unit" "GPa" "source-std-uncert-value" 0.0025936433668882894 "si-unit" "kg / m s^2" "si-value" 322926682488382.1 } } { "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" 7.783120161294948 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.783120161294948e-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" 1437121.173097792 "source-unit" "GPa" "source-std-uncert-value" 0.0042354029302695585 "si-unit" "kg / m s^2" "si-value" 1437121173097792.0 } } ]