[ { "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" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 3.6090464890003213 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.609046489000321e-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" 242.3773423601539 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725202962 "si-unit" "kg / m s^2" "si-value" 242377342360.1539 } "c12" { "source-value" 218.3736167206981 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362078114 "si-unit" "kg / m s^2" "si-value" 218373616720.6981 } "c44" { "source-value" 16.433412170468927 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812288065 "si-unit" "kg / m s^2" "si-value" 16433412170.46893 } "excess" { "source-value" 0.1085583098970017 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913357 "si-unit" "kg / m s^2" "si-value" 108558309.8970017 } } { "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" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 3.6090464890003213 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.609046489000321e-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" 226.3748586005167 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015789373275 "si-unit" "kg / m s^2" "si-value" 226374858600.5167 } } ]