[ { "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" 6.012307333946234 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.012307333946234e-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" 100.81234743059368 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724972366 "si-unit" "kg / m s^2" "si-value" 100812347430.5937 } "c12" { "source-value" 104.57486063677551 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636194704 "si-unit" "kg / m s^2" "si-value" 104574860636.7755 } "c44" { "source-value" -4.201086465520828 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812088812 "si-unit" "kg / m s^2" "si-value" -4201086465.520828 } "excess" { "source-value" 8.917311333791222e-07 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 891.7311333791223 } } { "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" 6.012307333946234 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.012307333946234e-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" 103.32068956804824 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788216015 "si-unit" "kg / m s^2" "si-value" 103320689568.0482 } } ]