[ { "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" [ "As" "As" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" 5.973438501358032 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.973438501358032e-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" 57.92442718441722 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724902506 "si-unit" "kg / m s^2" "si-value" 57924427184.41722 } "c12" { "source-value" 33.95411711690044 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361865698 "si-unit" "kg / m s^2" "si-value" 33954117116.90044 } "c44" { "source-value" -24.915348123993812 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812426225 "si-unit" "kg / m s^2" "si-value" -24915348123.99381 } "excess" { "source-value" 1.466641622964309e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1466.641622964309 } } { "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" [ "As" "As" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" 5.973438501358032 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.973438501358032e-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" 41.94422047273936 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787638795 "si-unit" "kg / m s^2" "si-value" 41944220472.73936 } } ]