[ { "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" 5.56925329566002 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.56925329566002e-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" 676.5826556528106 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072591024 "si-unit" "kg / m s^2" "si-value" 676582655652.8105 } "c12" { "source-value" 607.4042223403507 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362526202 "si-unit" "kg / m s^2" "si-value" 607404222340.3507 } "c44" { "source-value" -19.97030264060095 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681234568 "si-unit" "kg / m s^2" "si-value" -19970302640.60095 } "excess" { "source-value" 0.24952320935398883 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134384 "si-unit" "kg / m s^2" "si-value" 249523209.3539888 } } { "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" 5.56925329566002 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.56925329566002e-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" 630.4637001111706 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579317351 "si-unit" "kg / m s^2" "si-value" 630463700111.1707 } } ]