[ { "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 2.7837627679109582 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.783762767910958e-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" 4482.421913068457 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307321095866 "si-unit" "kg / m s^2" "si-value" 4482421913068.457 } "c12" { "source-value" 1018.8048173681228 "source-unit" "GPa" "source-std-uncert-value" 0.005187286363000057 "si-unit" "kg / m s^2" "si-value" 1018804817368.123 } "c44" { "source-value" 2232.2587693021196 "source-unit" "GPa" "source-std-uncert-value" 0.001833982684838173 "si-unit" "kg / m s^2" "si-value" 2232258769302.12 } "excess" { "source-value" 0.7480250268089832 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913725 "si-unit" "kg / m s^2" "si-value" 748025026.8089832 } } { "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 2.7837627679109582 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.783762767910958e-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" 2173.343849268234 "source-unit" "GPa" "source-std-uncert-value" 0.00423540158076835 "si-unit" "kg / m s^2" "si-value" 2173343849268.234 } } ]