[ { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.321701258420944 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.321701258420944e-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" 65.39778545486779 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724914678 "si-unit" "kg / m s^2" "si-value" 65397785454.86779 } "c12" { "source-value" 58.15335596834692 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361893571 "si-unit" "kg / m s^2" "si-value" 58153355968.34692 } "c44" { "source-value" 11.458225557113778 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812207025 "si-unit" "kg / m s^2" "si-value" 11458225557.11378 } "excess" { "source-value" 0.01003484613922707 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133 "si-unit" "kg / m s^2" "si-value" 10034846.13922707 } } { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.321701258420944 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.321701258420944e-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" 60.568165797187206 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578781394 "si-unit" "kg / m s^2" "si-value" 60568165797.1872 } } ]