[ { "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" [ "He" "He" "He" "He" "He" "He" "He" "He" ] } "a" { "source-value" 5.917244493961334 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.917244493961334e-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" -3522074.7411198854 "source-unit" "GPa" "source-std-uncert-value" 0.007335936461952024 "si-unit" "kg / m s^2" "si-value" -3522074741119886.0 } "c12" { "source-value" 73.49069559009259 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361911236 "si-unit" "kg / m s^2" "si-value" 73490695590.09259 } "c44" { "source-value" -1320783.8825976574 "source-unit" "GPa" "source-std-uncert-value" 0.0018339848326319756 "si-unit" "kg / m s^2" "si-value" -1320783882597658.0 } "excess" { "source-value" 220698.41630888943 "source-unit" "GPa" "source-std-uncert-value" 0.0025936433080145345 "si-unit" "kg / m s^2" "si-value" 220698416308889.4 } } { "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" [ "He" "He" "He" "He" "He" "He" "He" "He" ] } "a" { "source-value" 5.917244493961334 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.917244493961334e-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" -1173975.9199095683 "source-unit" "GPa" "source-std-uncert-value" 0.004235402682884649 "si-unit" "kg / m s^2" "si-value" -1173975919909568.0 } } ]