[ { "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" 3.4876823797822 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.4876823797822e-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" -661112.2957646055 "source-unit" "GPa" "source-std-uncert-value" 0.0073359318018311 "si-unit" "kg / m s^2" "si-value" -661112295764605.5 } "c12" { "source-value" 135.77899219840273 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636198298 "si-unit" "kg / m s^2" "si-value" 135778992198.4027 } "c44" { "source-value" -247964.77143837247 "source-unit" "GPa" "source-std-uncert-value" 0.0018339830851128063 "si-unit" "kg / m s^2" "si-value" -247964771438372.5 } "excess" { "source-value" 42.61281121210431 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809378355 "si-unit" "kg / m s^2" "si-value" 42612811212.10431 } } { "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" 3.4876823797822 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.4876823797822e-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" -220280.2459267362 "source-unit" "GPa" "source-std-uncert-value" 0.004235401786082735 "si-unit" "kg / m s^2" "si-value" -220280245926736.2 } } ]