[ { "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 3.954510562121868 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.954510562121868e-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" 550.7392903516271 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725705253 "si-unit" "kg / m s^2" "si-value" 550739290351.6271 } "c12" { "source-value" -65.96701140302282 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619025706 "si-unit" "kg / m s^2" "si-value" -65967011403.02283 } "c44" { "source-value" 178.2338641436569 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681492364 "si-unit" "kg / m s^2" "si-value" 178233864143.6569 } "excess" { "source-value" 1.095420050963729e-08 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 10.95420050963729 } } { "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 3.954510562121868 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.954510562121868e-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" 139.60175584852715 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015789384395 "si-unit" "kg / m s^2" "si-value" 139601755848.5272 } } ]