[ { "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" 7.0360087454319 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.0360087454319e-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" 0.32581992028461054 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724808684 "si-unit" "kg / m s^2" "si-value" 325819920.2846106 } "c12" { "source-value" 6.791074623074468 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618344115 "si-unit" "kg / m s^2" "si-value" 6791074623.074468 } "c44" { "source-value" -7.8075614839522105 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812147559 "si-unit" "kg / m s^2" "si-value" -7807561483.95221 } "excess" { "source-value" 0.49730681134241134 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913581 "si-unit" "kg / m s^2" "si-value" 497306811.3424113 } } { "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" 7.0360087454319 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.0360087454319e-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" 4.635989722144515 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578728793 "si-unit" "kg / m s^2" "si-value" 4635989722.144515 } } ]