[ { "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" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" 5.163875865936281 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.163875865936281e-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" -50417.9449547153 "source-unit" "GPa" "source-std-uncert-value" 0.00733593080715163 "si-unit" "kg / m s^2" "si-value" -50417944954715.3 } "c12" { "source-value" 143.8296203539323 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361992254 "si-unit" "kg / m s^2" "si-value" 143829620353.9323 } "c44" { "source-value" -18938.383633906196 "source-unit" "GPa" "source-std-uncert-value" 0.001833982712050844 "si-unit" "kg / m s^2" "si-value" -18938383633906.2 } "excess" { "source-value" 2983.7453546280412 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431826316464 "si-unit" "kg / m s^2" "si-value" 2983745354628.041 } } { "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" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" 5.163875865936281 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.163875865936281e-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" -16710.095238002476 "source-unit" "GPa" "source-std-uncert-value" 0.004235401594661619 "si-unit" "kg / m s^2" "si-value" -16710095238002.47 } } ]