[ { "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" 4.634749218821525 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.634749218821525e-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" -10492159.469871452 "source-unit" "GPa" "source-std-uncert-value" 0.00733594781633482 "si-unit" "kg / m s^2" "si-value" -1.049215946987145e+16 } "c12" { "source-value" 616.6870108364539 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362542961 "si-unit" "kg / m s^2" "si-value" 616687010836.4539 } "c44" { "source-value" -3934583.682298418 "source-unit" "GPa" "source-std-uncert-value" 0.001833989090260505 "si-unit" "kg / m s^2" "si-value" -3934583682298418.0 } "excess" { "source-value" 518367.7272758249 "source-unit" "GPa" "source-std-uncert-value" 0.0025936434794437777 "si-unit" "kg / m s^2" "si-value" 518367727275824.9 } } { "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" 4.634749218821525 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.634749218821525e-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" -3496975.365283259 "source-unit" "GPa" "source-std-uncert-value" 0.004235404868382772 "si-unit" "kg / m s^2" "si-value" -3496975365283259.0 } } ]