[ { "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" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" ] } "a" { "source-value" 8.672619494795798 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.672619494795799e-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" 5.457950567862117 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248170415 "si-unit" "kg / m s^2" "si-value" 5457950567.862117 } "c12" { "source-value" 7.307790753883343 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361835006 "si-unit" "kg / m s^2" "si-value" 7307790753.883343 } "c44" { "source-value" -11948.160645611168 "source-unit" "GPa" "source-std-uncert-value" 0.0018339827006644432 "si-unit" "kg / m s^2" "si-value" -11948160645611.17 } "excess" { "source-value" 0.00729439311499615 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132983 "si-unit" "kg / m s^2" "si-value" 7294393.11499615 } } { "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" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" ] } "a" { "source-value" 8.672619494795798 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.672619494795799e-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" 6.691177358542935 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787307246 "si-unit" "kg / m s^2" "si-value" 6691177358.542934 } } ]